PARAFAC Modeling of Irradiation- and Oxidation-Induced Changes in Fluorescent Dissolved Organic Matter Extracted from Poultry Litter.

PubMed

Mangalgiri, Kiranmayi P; Timko, Stephen A; Gonsior, Michael; Blaney, Lee

2017-07-18

Parallel factor analysis (PARAFAC) applied to fluorescence excitation emission matrices (EEMs) allows quantitative assessment of the composition of fluorescent dissolved organic matter (DOM). In this study, we fit a four-component EEM-PARAFAC model to characterize DOM extracted from poultry litter. The data set included fluorescence EEMs from 291 untreated, irradiated (253.7 nm, 310-410 nm), and oxidized (UV-H 2 O 2 , ozone) poultry litter extracts. The four components were identified as microbial humic-, terrestrial humic-, tyrosine-, and tryptophan-like fluorescent signatures. The Tucker's congruence coefficients for components from the global (i.e., aggregated sample set) model and local (i.e., single poultry litter source) models were greater than 0.99, suggesting that the global EEM-PARAFAC model may be suitable to study poultry litter DOM from individual sources. In general, the transformation trends of the four fluorescence components were comparable for all poultry litter sources tested. For irradiation at 253.7 nm, ozonation, and UV-H 2 O 2 advanced oxidation, transformation of the humic-like components was slower than that of the tryptophan-like component. The opposite trend was observed for irradiation at 310-410 nm, due to differences in UV absorbance properties of components. Compared to the other EEM-PARAFAC components, the tyrosine-like component was fairly recalcitrant in irradiation and oxidation processes. This novel application of EEM-PARAFAC modeling provides insight into the composition and fate of agricultural DOM in natural and engineered systems.

Influence of soil conditions on dissolved organic matter leached from forest and wetland soils: a controlled growth chamber study.

PubMed

Kim, Eun-Ah; Nguyen, Hang Vo-Minh; Oh, Hae Sung; Hur, Jin; Choi, Jung Hyun

2016-03-01

This study investigated the effects of various soil conditions, including drying-rewetting, nitrogen deposition, and temperature rise, on the quantities and the composition of dissolved organic matter leached from forest and wetland soils. A set of forest and wetland soils with and without the nitrogen deposition were incubated in the growth chambers under three different temperatures. The moisture contents were kept constant, except for two-week drying intervals. Comparisons between the original and the treated samples revealed that drying-rewetting was a crucial environmental factor driving changes in the amount of dissolved organic carbon (DOC). The DOC was also notably increased by the nitrogen deposition to the dry forest soil and was affected by the temperature of the dry wetland soil. A parallel factor (PARAFAC) analysis identified three sub-fractions of the fluorescent dissolved organic matter (FDOM) from the fluorescence excitation-emission matrices (EEMs), and their compositions depended on drying-rewetting. The data as a whole, including the DOC and PARAFAC components and other optical indices, were possibly explained by the two main variables, which were closely related with the PARAFAC components and DOC based on principal component analysis (PCA). Our results suggested that the DOC and PARAFAC component information could provide a comprehensive interpretation of the changes in the soil-leached DOM in response to the different environmental conditions.

The relationship of chromophoric dissolved organic matter parallel factor analysis fluorescence and polycyclic aromatic hydrocarbons in natural surface waters.

PubMed

Li, Sijia; Chen, Ya'nan; Zhang, Jiquan; Song, Kaishan; Mu, Guangyi; Sun, Caiyun; Ju, Hanyu; Ji, Meichen

2018-01-01

Polycyclic aromatic hydrocarbons (PAHs), a large group of persistent organic pollutants (POPs), have caused wide environmental pollution and ecological effects. Chromophoric dissolved organic matter (CDOM), which consists of complex compounds, was seen as a proxy of water quality. An attempt was made to understand the relationships of CDOM absorption parameters and parallel factor analysis (PARAFAC) components with PAHs under seasonal variation in the riverine, reservoir, and urban waters of the Yinma River watershed in 2016. These different types of water bodies provided wide CDOM and PAHs concentration ranges with CDOM absorption coefficients at a wavelength of 350 nm (a CDOM (350)) of 1.17-20.74 m -1 and total PAHs of 0-1829 ng/L. CDOM excitation-emission matrix (EEM) presented two fluorescent components, e.g., terrestrial humic-like (C1) and tryptophan-like (C2) were identified using PARAFAC. Tryptophan-like associated protein-like fluorescence often dominates the EEM signatures of sewage samples. Our finding is that seasonal CDOM EEM-PARAFAC and PAHs concentration showed consistent tendency indicated that PAHs were un-ignorable pollutants. However, the disparities in seasonal CDOM-PAH relationships relate to the similar sources of CDOM and PAHs, and the proportion of PAHs in CDOM. Overlooked and poorly appreciated, quantifying the relationship between CDOM and PAHs has important implications, because these results simplify ecological and health-based risk assessment of pollutants compared to the traditional chemical measurements.

Chemical structure of the Chromophoric Dissolved Organic Matter (CDOM) fluorescent matter.

NASA Astrophysics Data System (ADS)

Blough, N. V.; Del Vecchio, R.; Cartisano, C. M.; Bianca, M.

2017-12-01

The structure(s), distribution and dynamics of CDOM have been investigated over the last several decades largely through optical spectroscopy (including both absorption and fluorescence) due to the fairly inexpensive instrumentation and the easy-to-gather data (over thousands published papers from 1990-2016). Yet, the chemical structure(s) of the light absorbing and emitting species or constituents within CDOM has only recently being proposed and tested through chemical manipulation of selected functional groups (such as carbonyl and carboxylic/phenolic containing molecules) naturally occurring within the organic matter pool. Similarly, fitting models (among which the PArallel FACtor analysis, PARAFAC) have been developed to better understand the nature of a subset of DOM, the CDOM fluorescent matter (FDOM). Fluorescence spectroscopy coupled with chemical tests and PARAFAC analyses could potentially provide valuable insights on CDOM sources and chemical nature of the FDOM pool. However, despite that applications (and publications) of PARAFAC model to FDOM have grown exponentially since its first application/publication (2003), a large fraction of such publications has misinterpreted the chemical meaning of the delivered PARAFAC `components' leading to more confusion than clarification on the nature, distribution and dynamics of the FDOM pool. In this context, we employed chemical manipulation of selected functional groups to gain further insights on the chemical structure of the FDOM and we tested to what extent the PARAFAC `components' represent true fluorophores through a controlled chemical approach with the ultimate goal to provide insights on the chemical nature of such `components' (as well as on the chemical nature of the FDOM) along with the advantages and limitations of the PARAFAC application.

Characterizing fluorescent dissolved organic matter in a membrane bioreactor via excitation-emission matrix combined with parallel factor analysis.

PubMed

Maqbool, Tahir; Quang, Viet Ly; Cho, Jinwoo; Hur, Jin

2016-06-01

In this study, we successfully tracked the dynamic changes in different constitutes of bound extracellular polymeric substances (bEPS), soluble microbial products (SMP), and permeate during the operation of bench scale membrane bioreactors (MBRs) via fluorescence excitation-emission matrix (EEM) combined with parallel factor analysis (PARAFAC). Three fluorescent groups were identified, including two protein-like (tryptophan-like C1 and tyrosine-like C2) and one microbial humic-like components (C3). In bEPS, protein-like components were consistently more dominant than C3 during the MBR operation, while their relative abundance in SMP depended on aeration intensities. C1 of bEPS exhibited a linear correlation (R(2)=0.738; p<0.01) with bEPS amounts in sludge, and C2 was closely related to the stability of sludge. The protein-like components were more greatly responsible for membrane fouling. Our study suggests that EEM-PARAFAC can be a promising monitoring tool to provide further insight into process evaluation and membrane fouling during MBR operation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Cross-language information retrieval using PARAFAC2.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bader, Brett William; Chew, Peter; Abdelali, Ahmed

A standard approach to cross-language information retrieval (CLIR) uses Latent Semantic Analysis (LSA) in conjunction with a multilingual parallel aligned corpus. This approach has been shown to be successful in identifying similar documents across languages - or more precisely, retrieving the most similar document in one language to a query in another language. However, the approach has severe drawbacks when applied to a related task, that of clustering documents 'language-independently', so that documents about similar topics end up closest to one another in the semantic space regardless of their language. The problem is that documents are generally more similar tomore » other documents in the same language than they are to documents in a different language, but on the same topic. As a result, when using multilingual LSA, documents will in practice cluster by language, not by topic. We propose a novel application of PARAFAC2 (which is a variant of PARAFAC, a multi-way generalization of the singular value decomposition [SVD]) to overcome this problem. Instead of forming a single multilingual term-by-document matrix which, under LSA, is subjected to SVD, we form an irregular three-way array, each slice of which is a separate term-by-document matrix for a single language in the parallel corpus. The goal is to compute an SVD for each language such that V (the matrix of right singular vectors) is the same across all languages. Effectively, PARAFAC2 imposes the constraint, not present in standard LSA, that the 'concepts' in all documents in the parallel corpus are the same regardless of language. Intuitively, this constraint makes sense, since the whole purpose of using a parallel corpus is that exactly the same concepts are expressed in the translations. We tested this approach by comparing the performance of PARAFAC2 with standard LSA in solving a particular CLIR problem. From our results, we conclude that PARAFAC2 offers a very promising alternative to LSA not only for multilingual document clustering, but also for solving other problems in cross-language information retrieval.« less

Prebiotic Low Sugar Chocolate Dairy Desserts: Physical and Optical Characteristics and Performance of PARAFAC and PCA Preference Map.

PubMed

Morais, E C; Esmerino, E A; Monteiro, R A; Pinheiro, C M; Nunes, C A; Cruz, A G; Bolini, Helena M A

2016-01-01

The addition of prebiotic and sweeteners in chocolate dairy desserts opens up new opportunities to develop dairy desserts that besides having a lower calorie intake still has functional properties. In this study, prebiotic low sugar dairy desserts were evaluated by 120 consumers using a 9-point hedonic scale, in relation to the attributes of appearance, aroma, flavor, texture, and overall liking. Internal preference map using parallel factor analysis (PARAFAC) and principal component analysis (PCA) was performed using the consumer data. In addition, physical (texture profile) and optical (instrumental color) analyses were also performed. Prebiotic dairy desserts containing sucrose and sucralose were equally liked by the consumers. These samples were characterized by firmness and gumminess, which can be considered drivers of liking by the consumers. Optimization of the prebiotic low sugar dessert formulation should take in account the choice of ingredients that contribute in a positive manner for these parameters. PARAFAC allowed the extraction of more relevant information in relation to PCA, demonstrating that consumer acceptance analysis can be evaluated by simultaneously considering several attributes. Multiple factor analysis reported Rv value of 0.964, suggesting excellent concordance for both methods. © 2015 Institute of Food Technologists®

Characterization of chromophoric dissolved organic matter and relationships among PARAFAC components and water quality parameters in Heilongjiang, China.

PubMed

Cui, Hongyang; Shi, Jianhong; Qiu, Linlin; Zhao, Yue; Wei, Zimin; Wang, Xinglei; Jia, Liming; Li, Jiming

2016-05-01

Chromophoric dissolved organic matter (CDOM) is an important optically active substance that can transports nutrients and pollutants from terrestrial to aquatic systems. Additionally, it is used as a measure of water quality. To investigate the source and composition of CDOM, we used chemical and fluorescent analyses to characterize CDOM in Heilongjiang. The composition of CDOM can be investigated by excitation-emission matrix (EEM) fluorescence and parallel factor analysis (PARAFAC). PARAFAC identified four individual components that were attributed to microbial humic-like (C1) and terrestrial humic-like (C2-4) in water samples collected from the Heilongjiang River. The relationships between the maximum fluorescence intensities of the four PARAFAC components and the water quality parameters indicate that the dynamic of the four components is related to nutrients in the Heilongjiang River. The relationships between the fluorescence component C3 and the biochemical oxygen demand (BOD5) indicates that component C3 makes a great contribution to BOD5 and it can be used as a carbon source for microbes in the Heilongjiang River. Furthermore, the relationships between component C3, the particulate organic carbon (POC), and the chemical oxygen demand (CODMn) show that component C3 and POC make great contributions to BOD5 and CODMn. The use of these indexes along with PARAFAC results would be of help to characterize the co-variation between the CDOM and water quality parameters in the Heilongjiang River.

Tracking senescence-induced patterns in leaf litter leachate using parallel factor analysis (PARAFAC) modeling and self-organizing maps

NASA Astrophysics Data System (ADS)

Wheeler, K. I.; Levia, D. F.; Hudson, J. E.

2017-09-01

In autumn, the dissolved organic matter (DOM) contribution of leaf litter leachate to streams in forested watersheds changes as trees undergo resorption, senescence, and leaf abscission. Despite its biogeochemical importance, little work has investigated how leaf litter leachate DOM changes throughout autumn and how any changes might differ interspecifically and intraspecifically. Since climate change is expected to cause vegetation migration, it is necessary to learn how changes in forest composition could affect DOM inputs via leaf litter leachate. We examined changes in leaf litter leachate fluorescent DOM (FDOM) from American beech (Fagus grandifolia Ehrh.) leaves in Maryland, Rhode Island, Vermont, and North Carolina and from yellow poplar (Liriodendron tulipifera L.) leaves from Maryland. FDOM in leachate samples was characterized by excitation-emission matrices (EEMs). A six-component parallel factor analysis (PARAFAC) model was created to identify components that accounted for the majority of the variation in the data set. Self-organizing maps (SOM) compared the PARAFAC component proportions of leachate samples. Phenophase and species exerted much stronger influence on the determination of a sample's SOM placement than geographic origin. As expected, FDOM from all trees transitioned from more protein-like components to more humic-like components with senescence. Percent greenness of sampled leaves and the proportion of tyrosine-like component 1 were found to be significantly different between the two genetic beech clusters, suggesting differences in photosynthesis and resorption. Our results highlight the need to account for interspecific and intraspecific variations in leaf litter leachate FDOM throughout autumn when examining the influence of allochthonous inputs to streams.

Tracking variations in fluorescent-dissolved organic matter in an aerobic submerged membrane bioreactor using excitation-emission matrix spectra combined with parallel factor analysis.

PubMed

Hur, Jin; Shin, Jaewon; Kang, Minsun; Cho, Jinwoo

2014-08-01

In this study, the variations in the fluorescent components of dissolved organic matter (DOM) were tracked for an aerobic submerged membrane bioreactor (MBR) at three different operation stages (cake layer formation, condensation, and after cleaning). The fluorescent DOM was characterized using excitation-emission matrix (EEM) spectroscopy combined with parallel factor analysis (PARAFAC). Non-aromatic carbon structures appear to be actively involved in the membrane fouling for the cake layer formation stage as revealed by much higher UV-absorbing DOM per organic carbon found in the effluent versus those inside the reactor. Four fluorescent components were successfully identified from the reactor and the effluent DOMs by EEM-PARAFAC modeling. Among those in the reactor, microbial humic-like fluorescence was the most abundant component at the cake layer formation stage and tryptophan-like fluorescence at the condensation stage. In contrast to the reactor, relatively similar composition of the PARAFAC components was exhibited for the effluent at all three stages. Tryptophan-like fluorescence displayed the largest difference between the reactor and the effluent, suggesting that this component could be a good tracer for membrane fouling. It appears that the fluorescent DOM was involved in membrane fouling by cake layer formation rather than by internal pore adsorption because its difference between the reactor and the effluent was the highest among all the four components, even after the membrane cleaning. Our study provided an insight into the fate and the behavior fluorescent DOM components for an MBR system, which could be an indicator of the membrane fouling.

Uptake of allochthonous dissolved organic matter from soil and salmon in coastal temperate rainforest streams

Treesearch

Jason B. Fellman; Eran Hood; Richard T. Edwards; Jeremy B. Jones

2009-01-01

Dissolved organic matter (DOM) is an important component of aquatic food webs. We compare the uptake kinetics for NH4-N and different fractions of DOM during soil and salmon leachate additions by evaluating the uptake of organic forms of carbon (DOC) and nitrogen (DON), and proteinaceous DOM, as measured by parallel factor (PARAFAC) modeling of...

Occurrence and behaviors of fluorescence EEM-PARAFAC components in drinking water and wastewater treatment systems and their applications: a review.

PubMed

Yang, Liyang; Hur, Jin; Zhuang, Wane

2015-05-01

Fluorescence excitation emission matrices-parallel factor analysis (EEM-PARAFAC) is a powerful tool for characterizing dissolved organic matter (DOM), and it is applied in a rapidly growing number of studies on drinking water and wastewater treatments. This paper presents an overview of recent findings about the occurrence and behavior of PARAFAC components in drinking water and wastewater treatments, as well as their feasibility for assessing the treatment performance and water quality including disinfection by-product formation potentials (DBPs FPs). A variety of humic-like, protein-like, and unique (e.g., pyrene-like) fluorescent components have been identified, providing valuable insights into the chemical composition of DOM and the effects of various treatment processes in engineered systems. Coagulation/flocculation-clarification preferentially removes humic-like components, and additional treatments such as biological activated carbon filtration, anion exchange, and UV irradiation can further remove DOM from drinking water. In contrast, biological treatments are more effective for protein-like components in wastewater treatments. PARAFAC components have been proven to be valuable as surrogates for conventional water quality parameter, to track the changes of organic matter quantity and quality in drinking water and wastewater treatments. They are also feasible for assessing formations of trihalomethanes and other DBPs and evaluating treatment system performance. Further studies of EEM-PARAFAC for assessing the effects of the raw water quality and variable treatment conditions on the removal of DOM, and the formation potentials of various emerging DBPs, are essential for optimizing the treatment processes to ensure treated water quality.

New light on a dark subject: On the use of fluorescence data to deduce redox states of natural organic matter (NOM)

USGS Publications Warehouse

Macalady, Donald L.; Walton-Day, Katherine

2009-01-01

This paper reports the use of excitation-emission matrix fluorescence spectroscopy (EEMS), parallel factor statistical analysis (PARAFAC), and oxidation-reduction experiments to examine the effect of redox conditions on PARAFAC model results for aqueous samples rich in natural organic matter. Fifty-four aqueous samples from 11 different geographic locations and two plant extracts were analyzed untreated and after chemical treatments or irradiation were used in attempts to change the redox status of the natural organic matter. The EEMS spectra were generated and modeled using a PARAFAC package developed by Cory and McKnight (2005). The PARAFAC model output was examined for consistency with previously reported relations and with changes expected to occur upon experimental oxidation and reduction of aqueous samples. Results indicate the implied fraction of total sample fluorescence attributed to quinone-like moieties was consistent (0.64 to 0.78) and greater than that observed by Cory and McKnight (2005). The fraction of the quinone-like moieties that was reduced (the reducing index, RI) showed relatively little variation (0.46 to 0.71) despite attempts to alter the redox status of the natural organic matter. The RI changed little after reducing samples using zinc metal, oxidizing at high pH with air, or irradiating with a Xenon lamp. Our results, however, are consistent with the correlations between the fluorescence indices (FI) of samples and the ratio of PARAFAC fitting parameters suggested by Cory and McKnight (2005), though we used samples with a much narrower range of FI values.

Characterizing chromophoric dissolved organic matter in Lake Tianmuhu and its catchment basin using excitation-emission matrix fluorescence and parallel factor analysis.

PubMed

Zhang, Yunlin; Yin, Yan; Feng, Longqing; Zhu, Guangwei; Shi, Zhiqiang; Liu, Xiaohan; Zhang, Yuanzhi

2011-10-15

Chromophoric dissolved organic matter (CDOM) is an important optically active substance that transports nutrients, heavy metals, and other pollutants from terrestrial to aquatic systems and is used as a measure of water quality. To investigate how the source and composition of CDOM changes in both space and time, we used chemical, spectroscopic, and fluorescence analyses to characterize CDOM in Lake Tianmuhu (a drinking water source) and its catchment in China. Parallel factor analysis (PARAFAC) identified three individual fluorophore moieties that were attributed to humic-like and protein-like materials in 224 water samples collected between December 2008 and September 2009. The upstream rivers contained significantly higher concentrations of CDOM than did the lake water (a(350) of 4.27±2.51 and 2.32±0.59 m(-1), respectively), indicating that the rivers carried a substantial load of organic matter to the lake. Of the three main rivers that flow into Lake Tianmuhu, the Pingqiao River brought in the most CDOM from the catchment to the lake. CDOM absorption and the microbial and terrestrial humic-like components, but not the protein-like component, were significantly higher in the wet season than in other seasons, indicating that the frequency of rainfall and runoff could significantly impact the quantity and quality of CDOM collected from the catchment. The different relationships between the maximum fluorescence intensities of the three PARAFAC components, CDOM absorption, and chemical oxygen demand (COD) concentration in riverine and lake water indicated the difference in the composition of CDOM between Lake Tianmuhu and the rivers that feed it. This study demonstrates the utility of combining excitation-emission matrix fluorescence and PARAFAC to study CDOM dynamics in inland waters. Copyright © 2011 Elsevier Ltd. All rights reserved.

Using fluorescence-parallel factor analysis for assessing disinfection by-product formation and natural organic matter removal efficiency in secondary treated synthetic drinking waters.

PubMed

Watson, Kalinda; Farré, Maria José; Leusch, Frederic D L; Knight, Nicole

2018-05-28

Parallel factor (PARAFAC) analysis of fluorescence excitation-emission matrices (EEMs) was used to investigate the organic matter and DBP formation characteristics of untreated, primary treated (enhanced coagulation; EC) and secondary treated synthetic waters prepared using a Suwannee River natural organic matter (SR-NOM) isolate. The organic matter was characterised by four different fluorescence components; two humic acid-like (C1 and C2) and two protein-like (C3 and C4). Secondary treatment methods tested, following EC treatment, were; powdered activated carbon (PAC), granular activated carbon (GAC), 0.1% silver-impregnated activated carbon (SIAC), and MIEX® resin. Secondary treatments were more effective at removing natural organic matter (NOM) and fluorescent DBP-precursor components than EC alone. The formation of a suite of 17 DBPs including chlorinated, brominated and iodinated trihalomethanes (THMs), dihaloacetonitriles (DHANs), chloropropanones (CPs), chloral hydrate (CH) and trichloronitromethane (TCNM) was determined after chlorinating water sampled before and after each treatment step. Regression analysis was used to investigate the relationship between peak component fluorescence intensity (F MAX ), DBP concentration and speciation, and more commonly used aggregate parameters such as DOC, UV 254 and SUVA 254 . PARAFAC component 1 (C1) was in general a better predictor of DBP formation than other aggregate parameters, and was well correlated (R ≥ 0.80) with all detected DBPs except dibromochloromethane (DBCM) and dibromoacetonitrile (DBAN). These results indicate that the fluorescence-PARAFAC approach could provide a robust analytical tool for predicting DBP formation, and for evaluating the removal of NOM fractions relevant to DBP formation during water treatment. Copyright © 2018. Published by Elsevier B.V.

Towards a better control of the wastewater treatment process: excitation-emission matrix fluorescence spectroscopy of dissolved organic matter as a predictive tool of soluble BOD5 in influents of six Parisian wastewater treatment plants.

PubMed

Goffin, Angélique; Guérin, Sabrina; Rocher, Vincent; Varrault, Gilles

2018-03-01

The online monitoring of dissolved organic matter (DOM) in raw sewage water is expected to better control wastewater treatment processes. Fluorescence spectroscopy offers one possibility for both the online and real-time monitoring of DOM, especially as regards the DOM biodegradability assessment. In this study, three-dimensional fluorescence spectroscopy combined with a parallel factor analysis (PARAFAC) has been investigated as a predictive tool of the soluble biological oxygen demand in 5 days (BOD 5 ) for raw sewage water. Six PARAFAC components were highlighted in 69 raw sewage water samples: C2, C5, and C6 related to humic-like compounds, along with C1, C3, and C4 related to protein-like compounds. Since the PARAFAC methodology is not available for online monitoring, a peak-picking approach based on maximum excitation-emission (Ex-Em) localization of the PARAFAC components identified in this study has been used. A good predictive model of soluble BOD 5 using fluorescence spectroscopy parameters was obtained (r 2  = 0.846, adjusted r 2  = 0.839, p < 0.0001). This model is quite straightforward, easy to automate, and applicable to the operational field of wastewater treatment for online monitoring purposes.

Fluorescence spectroscopy for monitoring reduction of natural organic matter and halogenated furanone precursors by biofiltration.

PubMed

Peleato, Nicolás M; McKie, Michael; Taylor-Edmonds, Lizbeth; Andrews, Susan A; Legge, Raymond L; Andrews, Robert C

2016-06-01

The application of fluorescence spectroscopy to monitor natural organic matter (NOM) reduction as a function of biofiltration performance was investigated. This study was conducted at pilot-scale where a conventional media filter was compared to six biofilters employing varying enhancement strategies. Overall reductions of NOM were identified by measuring dissolved organic carbon (DOC), and UV absorbance at 254 nm, as well as characterization of organic sub-fractions by liquid chromatography-organic carbon detection (LC-OCD) and parallel factors analysis (PARAFAC) of fluorescence excitation-emission matrices (FEEM). The biofilter using granular activated carbon media, with exhausted absorptive capacity, was found to provide the highest removal of all identified PARAFAC components. A microbial or processed humic-like component was found to be most amenable to biodegradation by biofilters and removal by conventional treatment. One refractory humic-like component, detectable only by FEEM-PARAFAC, was not well removed by biofiltration or conventional treatment. All biofilters removed protein-like material to a high degree relative to conventional treatment. The formation potential of two halogenated furanones, 3-chloro-4(dichloromethyl)-2(5H)-furanone (MX) and mucochloric acid (MCA), as well as overall treated water genotoxicity are also reported. Using the organic characterization results possible halogenated furanone and genotoxicity precursors are identified. Comparison of FEEM-PARAFAC and LC-OCD results revealed polysaccharides as potential MX/MCA precursors. Copyright © 2016 Elsevier Ltd. All rights reserved.

Prediction of BOD, COD, and total nitrogen concentrations in a typical urban river using a fluorescence excitation-emission matrix with PARAFAC and UV absorption indices.

PubMed

Hur, Jin; Cho, Jinwoo

2012-01-01

The development of a real-time monitoring tool for the estimation of water quality is essential for efficient management of river pollution in urban areas. The Gap River in Korea is a typical urban river, which is affected by the effluent of a wastewater treatment plant (WWTP) and various anthropogenic activities. In this study, fluorescence excitation-emission matrices (EEM) with parallel factor analysis (PARAFAC) and UV absorption values at 220 nm and 254 nm were applied to evaluate the estimation capabilities for biochemical oxygen demand (BOD), chemical oxygen demand (COD), and total nitrogen (TN) concentrations of the river samples. Three components were successfully identified by the PARAFAC modeling from the fluorescence EEM data, in which each fluorophore group represents microbial humic-like (C1), terrestrial humic-like organic substances (C2), and protein-like organic substances (C3), and UV absorption indices (UV(220) and UV(254)), and the score values of the three PARAFAC components were selected as the estimation parameters for the nitrogen and the organic pollution of the river samples. Among the selected indices, UV(220), C3 and C1 exhibited the highest correlation coefficients with BOD, COD, and TN concentrations, respectively. Multiple regression analysis using UV(220) and C3 demonstrated the enhancement of the prediction capability for TN.

[Research on optimal modeling strategy for licorice extraction process based on near-infrared spectroscopy technology].

PubMed

Wang, Hai-Xia; Suo, Tong-Chuan; Yu, He-Shui; Li, Zheng

2016-10-01

The manufacture of traditional Chinese medicine (TCM) products is always accompanied by processing complex raw materials and real-time monitoring of the manufacturing process. In this study, we investigated different modeling strategies for the extraction process of licorice. Near-infrared spectra associate with the extraction time was used to detemine the states of the extraction processes. Three modeling approaches, i.e., principal component analysis (PCA), partial least squares regression (PLSR) and parallel factor analysis-PLSR (PARAFAC-PLSR), were adopted for the prediction of the real-time status of the process. The overall results indicated that PCA, PLSR and PARAFAC-PLSR can effectively detect the errors in the extraction procedure and predict the process trajectories, which has important significance for the monitoring and controlling of the extraction processes. Copyright© by the Chinese Pharmaceutical Association.

Seasonal characterization of CDOM for lakes in semi-arid regions of Northeast China using excitation-emission matrices fluorescence and parallel factor analysis (EEM-PARAFAC)

NASA Astrophysics Data System (ADS)

Zhao, Y.; Song, K.; Wen, Z.; Li, L.; Zang, S.; Shao, T.; Li, S.; Du, J.

2015-04-01

The seasonal characteristics of fluorescence components in CDOM for lakes in the semi-arid region of Northeast China were examined by excitation-emission matrices fluorescence and parallel factor analysis (EEM-PARAFAC). Two humic-like peaks C1 (Ex/Em = 230, 300/425 nm) and C2 (Ex/Em = 255, 350/460 nm) and two protein-like B (Ex/Em = 220, 275/320 nm) and T (Ex/Em = 225, 290/360 nm) peaks were identified using PARAFAC. The average fluorescence intensity of the four components differed with seasonal variation from June and August 2013 to February and April 2014. The total fluorescence intensity significantly varied from 2.54 ± 0.68 nm-1 in June to the mean value 1.93 ± 0.70 nm-1 in August 2013, and then increased to 2.34 ± 0.92 nm-1 in February and reduced to the lowest 1.57 ± 0.55 nm-1 in April 2014. In general, the fluorescence intensity was dominated by peak C1, indicating that most part of CDOM for inland waters being investigated in this study was originated from phytoplankton degradation. The lowest C2 represents only a small portion of CDOM from terrestrial imported organic matter to water bodies through rainwash and soil leaching. The two protein-like intensities (B and T) formed in situ through microbial activity have almost the same intensity. Especially, in August 2013 and February 2014, the two protein-like peaks showed obviously difference from other seasons and the highest C1 (1.02 nm-1) was present in February 2014. Components 1 and 2 exhibited strong linear correlation (R2 = 0.633). There were significantly positive linear relationships between CDOM absorption coefficients a(254) (R2 = 0.72, 0.46, p < 0.01), a(280) (R2 = 0.77, 0.47, p < 0.01), a(350) (R2 = 0.76, 0.78, p < 0.01) and Fmax for two humic-like components (C1 and C2), respectively. A close relationship (R2 = 0.931) was found between salinity and DOC. However, almost no obvious correlation was found between salinity and EEM-PARAFAC extracted components except for C3 (R2 = 0.469). Results from this investigation demonstrate that the EEM-PARAFAC technique can be used to evaluate the seasonal dynamics of CDOM fluorescence components for inland waters in semi-arid regions of Northeast China.

Massive processing of pyro-chromatogram mass spectra (py-GCMS) of soil samples using the PARAFAC2 algorithm

NASA Astrophysics Data System (ADS)

Cécillon, Lauric; Quénéa, Katell; Anquetil, Christelle; Barré, Pierre

2015-04-01

Due to its large heterogeneity at all scales (from soil core to the globe), several measurements are often mandatory to get a meaningful value of a measured soil property. A large number of measurements can therefore be needed to study a soil property whatever the scale of the study. Moreover, several soil investigation techniques produce large and complex datasets, such as pyrolysis-gas chromatography-mass spectrometry (Py-GC-MS) which produces complex 3-way data. In this context, straightforward methods designed to speed up data treatments are needed to deal with large datasets. GC-MS pyrolysis (py-GCMS) is a powerful and frequently used tool to characterize soil organic matter (SOM). However, the treatment of the results of a py-GCMS analysis of soil sample is time consuming (number of peaks, co-elution, etc.) and the treatment of large data set of py-GCMS results is rather laborious. Moreover, peak position shifts and baseline drifts between analyses make the automation of GCMS programs data treatment difficult. These problems can be fixed using the Parallel Factor Analysis 2 (PARAFAC 2, Kiers et al., 1999; Bro et al., 1999). This algorithm has been applied frequently on chromatography data but has never been applied to analyses of SOM. We developed a Matlab routine based on existing Matlab packages dedicated to the simultaneous treatment of dozens of pyro-chromatograms mass spectra. We applied this routine on 40 soil samples. The benefits and expected improvements of our method will be discussed in our poster. References Kiers et al. (1999) PARAFAC2 - PartI. A direct fitting algorithm for the PARAFAC2 model. Journal of Chemometrics, 13: 275-294. Bro et al. (1999) PARAFAC2 - PartII. Modeling chromatographic data with retention time shifts. Journal of Chemometrics, 13: 295-309.

Molecular characterization of dissolved organic matter in contrasted freshwater environments by electrospray ionization mass spectrometry and EEM-PARAFAC

NASA Astrophysics Data System (ADS)

Parot, Jérémie; Parlanti, Edith; Guéguen, Céline

2015-04-01

Dissolved organic matter (DOM) is a key parameter in the fate, transport and mobility of inorganic and organic pollutants in natural waters. Excitation emission matrix (EEM) spectra coupled to parallel factor analysis (PARAFAC) provide insights on the main fluorescent DOM constituents. However, the molecular structures associated with PARAFAC DOM remain poorly understood. In this study, DOM from rivers, marshes and algal culture was characterized by EEM-PARAFAC and electrospray ionization Fourier transform mass spectrometry (ESI-FT-MS, Orbitrap Q Exactive). The high resolution of the Orbitrap (i.e. 140,000) allowed us to separate unique molecular species from the complex DOM mixtures. The majority of chemical species were found within the mass to charge ratio (m/z) 200 to 400. Weighted averages of neutral mass were 271.254, 236.480, 213.992Da for river, marsh and algal-derived DOM, respectively, congruent with previous studies. The assigned formula were dominated by CHO in humic-rich river waters whereas N- and S-containing compounds were predominant in marsh and algal samples. Marsh consisted of N and S-containing compounds, which were presumed to be linear alkylbenzene sulfonates. And the double bond equivalent (DBE) was higher in the marsh and in comparison was lower in the algal culture. Kendrick masses, used to identify homologous compounds differing only by a number of base units in high resolution mass spectra, and Van Krevelen diagrams, plot of molar ratio of hydrogen to carbon (H/C) versus oxygen to carbon (O/C), will be discussed in relation to PARAFAC components to further discriminate freshwater systems based on the origin and maturity of DOM. Together, these results showed that ESI-FT-MS has a great potential to distinguish freshwater DOM at the molecular level without any fractionation.

Characterizing chlorine oxidation of dissolved organic matter and disinfection by-product formation with fluorescence spectroscopy and parallel factor analysis

NASA Astrophysics Data System (ADS)

Beggs, Katherine M. H.; Summers, R. Scott; McKnight, Diane M.

2009-12-01

Relationships between chlorine demand and disinfection by-product (DBP) formation during chlorination and fluorescence of dissolved organic matter (DOM) were developed. Fluorescence excitation and emission (EEM) spectroscopy was employed, and parameters including fluorescence index, redox index, and overall fluorescence intensity (OFI) were correlated to chlorine demand and DBP formation. The EEMs were also analyzed using a well established global parallel factor analysis (PARAFAC) model which resolves the fluorescence signal into 13 components, including quinone-like and protein-like components. Over an 8-day chlorination period the OFI and sum of the 13 PARAFAC loadings decreased by more than 70%. The remaining identified quinone-like compounds within the DOM were shifted to a more oxidized state. Quinone fluorescence was strongly correlated to both reduced fluorescence intensity and to chlorine demand which indicates that fluorescence may be used to track the chlorine oxidation of DOM. Quinone fluorescence was also correlated strongly with both classes of regulated DBPs: total trihalomethanes and haloacetic acids. Quinone-like components were found to be strongly correlated to overall, short-term, and long-term specific DBP formation. The results of this study show that fluorescence is a useful tool in tracking both DOM oxidation and DBP formation during chlorination.

Assessment on the leakage hazard of landfill leachate using three-dimensional excitation-emission fluorescence and parallel factor analysis method.

PubMed

Pan, Hongwei; Lei, Hongjun; Liu, Xin; Wei, Huaibin; Liu, Shufang

2017-09-01

A large number of simple and informal landfills exist in developing countries, which pose as tremendous soil and groundwater pollution threats. Early warning and monitoring of landfill leachate pollution status is of great importance. However, there is a shortage of affordable and effective tools and methods. In this study, a soil column experiment was performed to simulate the pollution status of leachate using three-dimensional excitation-emission fluorescence (3D-EEMF) and parallel factor analysis (PARAFAC) models. Sum of squared residuals (SSR) and principal component analysis (PCA) were used to determine the optimal components for PARAFAC. A one-way analysis of variance showed that the component scores of the soil column leachate were significant influenced by landfill leachate (p<0.05). Therefore, the ratio of the component scores of the soil under the landfill to that of natural soil could be used to evaluate the leakage status of landfill leachate. Furthermore, a hazard index (HI) and a hazard evaluation standard were established. A case study of Kaifeng landfill indicated a low hazard (level 5) by the use of HI. In summation, HI is presented as a tool to evaluate landfill pollution status and for the guidance of municipal solid waste management. Copyright © 2017 Elsevier Ltd. All rights reserved.

Insight into photocatalytic degradation of dissolved organic matter in UVA/TiO₂ systems revealed by fluorescence EEM-PARAFAC.

PubMed

Phong, Diep Dinh; Hur, Jin

2015-12-15

Photocatalytic degradation of dissolved organic matter (DOM) using TiO2 as a catalyst and UVA as a light source was examined under various experimental settings with different TiO2 doses, solution pH, and the light intensities. The changes in UV absorbance and fluorescence with the irradiation time followed a pseudo-first order model much better than those of dissolved organic carbon. In general, the degradation rates were increased by higher TiO2 doses and light intensities. However, the exact photocatalytic responses of DOM to the irradiation were affected by many other factors such as aggregation of TiO2, light scattering, hydroxyl radicals produced, and DOM sorption on TiO2. Fluorescence excitation-emission matrix (EEM) coupled with parallel factor analysis (PARAFAC) revealed that the DOM changes in fluorescence could be described by the combinations of four dissimilar components including one protein-like, two humic-like, and one terrestrial humic-like components, each of which followed well the pseudo-first order model. The photocatalytic degradation rates were higher for protein-like versus humic-like component, whereas the opposite order was displayed for the degradation rates in the absence of TiO2, suggesting different dominant mechanisms operating between the systems with and without TiO2. Our results based on EEM-PARAFAC provided new insights into the underlying mechanisms associated with the photocatalytic degradation of DOM as well as the potential environmental impact of the treated water. This study demonstrated a successful application of EEM-PARAFAC for photocatalytic systems via directly comparing the kinetic rates of the individual DOM components with different compositions. Copyright © 2015 Elsevier Ltd. All rights reserved.

Tracking oil and gas wastewater-derived organic matter in a hybrid biofilter membrane treatment system: A multi-analytical approach.

PubMed

Riley, Stephanie M; Ahoor, Danika C; Regnery, Julia; Cath, Tzahi Y

2018-02-01

Dissolved organic matter (DOM) present in oil and gas (O&G) produced water and fracturing flowback was characterized and quantified by multiple analytical techniques throughout a hybrid biological-physical treatment process. Quantitative and qualitative analysis of DOM by liquid chromatography - organic carbon detection (LC-OCD), liquid chromatography-high-resolution mass spectrometry (LC-HRMS), gas chromatography-mass spectrometry (GC-MS), and 3D fluorescence spectroscopy, demonstrated increasing removal of all groups of DOM throughout the treatment train, with most removal occurring during biological pretreatment and some subsequent removal achieved during membrane treatment. Parallel factor analysis (PARAFAC) further validated these results and identified five fluorescent components, including DOM described as humic acids, fulvic acids, proteins, and aromatics. Tryptophan-like compounds bound by complexation to humics/fulvics were most difficult to remove biologically, while aromatics (particularly low molecular weight neutrals) were more challenging to remove with membranes. Strong correlation among PARAFAC, LC-OCD, LC-HRMS, and GC-MS suggests that PARAFAC can be a quick, affordable, and accurate tool for evaluating the presence or removal of specific DOM groups in O&G wastewater. Copyright © 2017 Elsevier B.V. All rights reserved.

Characterization of atrazine binding to dissolved organic matter of soil under different types of land use.

PubMed

Zhu, Long-Ji; Zhao, Yue; Chen, Yan-Ni; Cui, Hong-Yang; Wei, Yu-Quan; Liu, Hai-Long; Chen, Xiao-Meng; Wei, Zi-Min

2018-01-01

Atrazine is widely used in agriculture. In this study, dissolved organic matter (DOM) from soils under four types of land use (forest (F), meadow (M), cropland (C) and wetland (W)) was used to investigate the binding characteristics of atrazine. Fluorescence excitation-emission matrix-parallel factor (EEM-PARAFAC) analysis, two-dimensional correlation spectroscopy (2D-COS) and Stern-Volmer model were combined to explore the complexation between DOM and atrazine. The EEM-PARAFAC indicated that DOM from different sources had different structures, and humic-like components had more obvious quenching effects than protein-like components. The Stern-Volmer model combined with correlation analysis showed that log K values of PARAFAC components had a significant correlation with the humification of DOM, especially for C3 component, and they were all in the same order as follows: meadow soil (5.68)>wetland soil (5.44)>cropland soil (5.35)>forest soil (5.04). The 2D-COS further confirmed that humic-like components firstly combined with atrazine followed by protein-like components. These findings suggest that DOM components can significantly influence the bioavailability, mobility and migration of atrazine in different land uses. Copyright © 2016 Elsevier Inc. All rights reserved.

A new modeling strategy for third-order fast high-performance liquid chromatographic data with fluorescence detection. Quantitation of fluoroquinolones in water samples.

PubMed

Alcaráz, Mirta R; Bortolato, Santiago A; Goicoechea, Héctor C; Olivieri, Alejandro C

2015-03-01

Matrix augmentation is regularly employed in extended multivariate curve resolution-alternating least-squares (MCR-ALS), as applied to analytical calibration based on second- and third-order data. However, this highly useful concept has almost no correspondence in parallel factor analysis (PARAFAC) of third-order data. In the present work, we propose a strategy to process third-order chromatographic data with matrix fluorescence detection, based on an Augmented PARAFAC model. The latter involves decomposition of a three-way data array augmented along the elution time mode with data for the calibration samples and for each of the test samples. A set of excitation-emission fluorescence matrices, measured at different chromatographic elution times for drinking water samples, containing three fluoroquinolones and uncalibrated interferences, were evaluated using this approach. Augmented PARAFAC exploits the second-order advantage, even in the presence of significant changes in chromatographic profiles from run to run. The obtained relative errors of prediction were ca. 10 % for ofloxacin, ciprofloxacin, and danofloxacin, with a significant enhancement in analytical figures of merit in comparison with previous reports. The results are compared with those furnished by MCR-ALS.

Investigation of adsorptive fractionation of humic acid on graphene oxide using fluorescence EEM-PARAFAC.

PubMed

Lee, Bo-Mi; Seo, Young-Soo; Hur, Jin

2015-04-15

In this study, the adsorptive fractionation of a humic acid (HA, Elliott soil humic acid) on graphene oxide (GO) was examined at pH 4 and 6 using absorption spectroscopy and fluorescence excitation-emission matrix (EEM)-parallel factor analysis (PARAFAC). The extent of the adsorption was greater at pH 4.0 than at pH 6.0. Aromatic molecules within the HA were preferentially adsorbed onto the GO surface, and the preferential adsorption was more pronounced at pH 6, which is above the zero point of charge of GO. A relative ratio of two PARAFAC humic-like components (ex/em maxima at 270/510 nm and at (250, 265)/440 nm) presented an increasing trend with larger sizes of ultrafiltered humic acid fractions, suggesting the potential for using fluorescence EEM-PARAFAC for tracking the changes in molecular sizes of aromatic HA molecules. The individual adsorption behaviors of the two humic-like components revealed that larger sized aromatic components within HA had a higher adsorption affinity and more nonlinear isotherms compared to smaller sized fractions. Our results demonstrated that adsorptive fractionation of HA occurred on the GO surface with respect to their aromaticity and the sizes, but the degree was highly dependent on solution pH as well as the amount of adsorbed HS (or available surface sites). The observed adsorption behaviors were reasonably explained by a combination of different mechanisms previously suggested. Copyright © 2015 Elsevier Ltd. All rights reserved.

Insight into the heavy metal binding potential of dissolved organic matter in MSW leachate using EEM quenching combined with PARAFAC analysis.

PubMed

Wu, Jun; Zhang, Hua; He, Pin-Jing; Shao, Li-Ming

2011-02-01

Dissolved organic matter (DOM) plays an important role in heavy metal migration from municipal solid waste (MSW) to aquatic environments via the leachate pathway. In this study, fluorescence excitation-emission matrix (EEM) quenching combined with parallel factor (PARAFAC) analysis was adopted to characterize the binding properties of four heavy metals (Cu, Pb, Zn and Cd) and DOM in MSW leachate. Nine leachate samples were collected from various stages of MSW management, including collection, transportation, incineration, landfill and subsequent leachate treatment. Three humic-like components and one protein-like component were identified in the MSW-derived DOM by PARAFAC. Significant differences in quenching effects were observed between components and metal ions, and a relatively consistent trend in metal quenching curves was observed among various leachate samples. Among the four heavy metals, Cu(II) titration led to fluorescence quenching of all four PARAFAC-derived components. Additionally, strong quenching effects were only observed in protein-like and fulvic acid (FA)-like components with the addition of Pb(II), which suggested that these fractions are mainly responsible for Pb(II) binding in MSW-derived DOM. Moreover, the significant quenching effects of the FA-like component by the four heavy metals revealed that the FA-like fraction in MSW-derived DOM plays an important role in heavy metal speciation; therefore, it may be useful as an indicator to assess the potential ability of heavy metal binding and migration. © 2010 Elsevier Ltd. All rights reserved.

Unveiling the transformation and bioavailability of dissolved organic matter in contrasting hydrothermal vents using fluorescence EEM-PARAFAC.

PubMed

Yang, Liyang; Zhuang, Wan-E; Chen, Chen-Tung Arthur; Wang, Bing-Jye; Kuo, Fu-Wen

2017-03-15

The submarine hydrothermal systems are extreme environments where active cycling of dissolved organic matter (DOM) may occur. However, little is known about the optical properties and bioavailability of hydrothermal DOM, which could provide valuable insights into its transformation processes and biogeochemical reactivity. The quantity, quality, and bioavailability of DOM were investigated for four very different hydrothermal vents east of Taiwan, using dissolved organic carbon (DOC), absorption spectroscopy, and fluorescence excitation-emission matrices-parallel factor analysis (EEM-PARAFAC). The DOC and absorption coefficient a 280 were both lower in the two hydrothermal vents off the Orchid Island and on the Green Island than in the surrounding seawater and the two vents off the Kueishantao Island, indicating effective removals of DOM in the former two hydrothermal systems owing to possible adsorption/co-precipitation and thermal degradation respectively. The four hydrothermal DOM showed notable differences in the absorption spectral slope S 275-295 , humification index HIX, biological index BIX, EEM spectra, and the relative distributions of seven PARAFAC components. The results demonstrated a high diversity of chemical composition and transformation history of DOM under contrasting hydrothermal conditions. The little change in the hydrothermal DOC after 28-day microbial incubations indicated a low bioavailability of the bulk DOM, and different PARAFAC components showed contrasting bioavailability. The results have profound implications for understanding the biogeochemical cycling and environmental effects of hydrothermal DOM in the marine environments. Copyright © 2017 Elsevier Ltd. All rights reserved.

Investigation of ozone and peroxone impacts on natural organic matter character and biofiltration performance using fluorescence spectroscopy.

PubMed

Peleato, Nicolás M; Sidhu, Balsher Singh; Legge, Raymond L; Andrews, Robert C

2017-04-01

Impacts of ozonation alone as well as an advanced oxidation process of ozone plus hydrogen peroxide (H 2 O 2  + O 3 ) on organic matter prior to and following biofiltration were studied at pilot-scale. Three biofilters were operated in parallel to assess the effects of varying pre-treatment types and dosages. Conventionally treated water (coagulation/flocculation/sedimentation) was fed to one control biofilter, while the remaining two received water with varying applied doses of O 3 or H 2 O 2  + O 3 . Changes in organic matter were characterized using parallel factors analysis (PARAFAC) and fluorescence peak shifts. Intensities of all PARAFAC components were reduced by pre-oxidation, however, individual humic-like components were observed to be impacted to varying degrees upon exposure to O 3 or H 2 O 2  + O 3 . While the control biofilter uniformly reduced fluorescence of all PARAFAC components, three of the humic-like components were produced by biofiltration only when pre-oxidation was applied. A fluorescence red shift, which occurred with the application of O 3 or H 2 O 2  + O 3 , was attributed to a relative increase in carbonyl-containing components based on previously reported results. A subsequent blue shift in fluorescence caused by biofiltration which received pre-oxidized water indicated that biological treatment readily utilized organics produced by pre-oxidation. The results provide an understanding as to the impacts of organic matter character and pre-oxidation on biofiltration efficiency for organic matter removal. Copyright © 2017 Elsevier Ltd. All rights reserved.

Characterization of Chromophoric Dissolved Organic Matter across the Eastern and the Central Arctic Regions using PARAFAC Modelling

NASA Astrophysics Data System (ADS)

Molodtsova, T.; Amon, R. M. W.

2016-12-01

In this study the optical properties (absorption and fluorescence intensity) of chromophoric dissolved organic matter (CDOM) were investigated in water samples collected during the cruise conducted in August and September 2007 across the Eastern and Central Arctic regions. The fluorescence spectroscopy analysis was complimented with the parallel factor analysis (PARAFAC) and the identified six components were compared to other water properties including salinity, in situ fluorescence, dissolved organic carbon, and specific ultraviolet absorbance at 254 nm. The principal component analysis was conducted to distinguish between the water masses and identify the features such as the Trans Polar Drift and the North Atlantic Current. The preliminary results indicate that investigation of the optical properties of CDOM are able to provide better understanding of Arctic Ocean circulation and environmental changes such as the loss of the perennial sea ice and more light penetrating the water column.

Application of fluorescence and PARAFAC to assess vertical distribution of subsurface hydrocarbons and dispersant during the Deepwater Horizon oil spill.

PubMed

Mendoza, Wilson G; Riemer, Daniel D; Zika, Rod G

2013-05-01

We evaluated the use of excitation and emission matrix (EEM) fluorescence and parallel factorial analysis (PARAFAC) modeling techniques for monitoring crude oil components in the water column. Four of the seven derived PARAFAC loadings were associated with the Macondo crude oil components. The other three components were associated with the dispersant, an unresolved component and colored dissolved organic matter (CDOM). The fluorescence of the associated benzene and naphthalene-like components of crude oil exhibited a maximum at ∼1200 m. The maximum fluorescence of the component associated with the dispersant (i.e., Corexit EC9500A) was observed at the same depth. The plume observed at this depth was attributed to the dispersed crude oil from the Deepwater Horizon oil spill. Results demonstrate the application of EEM and PARAFAC to simultaneously monitor selected PAH, dispersant-containing and humic-like fluorescence components in the oil spill region in the Gulf of Mexico.

Using parallel factor analysis modeling (PARAFAC) and self-organizing maps to track senescence-induced patterns in leaf litter leachate

NASA Astrophysics Data System (ADS)

Wheeler, K. I.; Levia, D. F., Jr.; Hudson, J. E.

2017-12-01

As trees undergo autumnal processes such as resorption, senescence, and leaf abscission, the dissolved organic matter (DOM) contribution of leaf litter leachate to streams changes. However, little research has investigated how the fluorescent DOM (FDOM) changes throughout the autumn and how this differs inter- and intraspecifically. Two of the major impacts of global climate change on forested ecosystems include altering phenology and causing forest community species and subspecies composition restructuring. We examined changes in FDOM in leachate from American beech (Fagus grandifolia Ehrh.) leaves in Maryland, Rhode Island, Vermont, and North Carolina and yellow poplar (Liriodendron tulipifera L.) leaves from Maryland throughout three different phenophases: green, senescing, and freshly abscissed. Beech leaves from Maryland and Rhode Island have previously been identified as belonging to the same distinct genetic cluster and beech trees from Vermont and the study site in North Carolina from the other. FDOM in samples was characterized using excitation-emission matrices (EEMs) and a six-component parallel factor analysis (PARAFAC) model was created to identify components. Self-organizing maps (SOMs) were used to visualize variation and patterns in the PARAFAC component proportions of the leachate samples. Phenophase and species had the greatest influence on determining where a sample mapped on the SOM when compared to genetic clusters and geographic origin. Throughout senescence, FDOM from all the trees transitioned from more protein-like components to more humic-like ones. Percent greenness of the sampled leaves and the proportion of the tyrosine-like component 1 were found to significantly differ between the two genetic beech clusters. This suggests possible differences in photosynthesis and resorption between the two genetic clusters of beech. The use of SOMs to visualize differences in patterns of senescence between the different species and genetic populations proved to be useful in ways that other multivariate analysis techniques lack.

[Resolving excitation emission matrix spectroscopy of estuarine CDOM with parallel factor analysis and its application in organic pollution monitoring].

PubMed

Guo, Wei-Dong; Huang, Jian-Ping; Hong, Hua-Sheng; Xu, Jing; Deng, Xun

2010-06-01

The distribution and estuarine behavior of fluorescent components of chromophoric dissolved organic matter (CDOM) from Jiulong Estuary were determined by fluorescence excitation emission matrix spectroscopy (EEMs) combined with parallel factor analysis (PARAFAC). The feasibility of these components as tracers for organic pollution in estuarine environments was also evaluated. Four separate fluorescent components were identified by PARAFAC, including three humic-like components (C1: 240, 310/382 nm; C2: 230, 250, 340/422 nm; C4: 260, 390/482 nm) and one protein-like components (C3: 225, 275/342 nm). These results indicated that UV humic-like peak A area designated by traditional "peak-picking method" was not a single peak but actually a combination of several fluorescent components, and it also had inherent links to so-called marine humic-like peak M or terrestrial humic-like peak C. Component C2 which include peak M decreased with increase of salinity in Jiulong Estuary, demonstrating that peak M can not be thought as the specific indicator of the "marine" humic-like component. Two humic-like components C1 and C2 showed additional behavior in the turbidity maximum region (salinity < 6) and then conservative mixing behavior for the rest estuarine region, while humic-like components C4 showed conservative mixing behavior for the whole estuarine region. However, the protein-like component C3 showed nonconservative mixing behavior, suggesting it had autochthonous estuarine origin. EEMs-PARAFAC can provide fluorescent fingerprint to differentiate the DOM features for three tributaries of Jiulong River. The observed linear relationships between humic-like components and absorption coefficient a (280) with chemical oxygen demand (COD) and biological oxygen demand (BOD5) suggest that the optical properties of CDOM may provide a fast in-situ way to monitor the variation of the degree of organic pollution in estuarine environments.

Anthropogenic signature of sediment organic matter probed by UV-Visible and fluorescence spectroscopy and the association with heavy metal enrichment.

PubMed

He, Wei; Lee, Jong-Hyun; Hur, Jin

2016-05-01

Sediment organic matter (SOM) was extracted in an alkaline solution from 43 stream sediments in order to explore the anthropogenic signatures. The SOM spectroscopic characteristics including excitation-emission matrix (EEM)-parallel factor analysis (PARAFAC) were compared for five sampling site groups classified by the anthropogenic variables of land use, population density, the loadings of organics and nutrients, and metal enrichment. The conventional spectroscopic characteristics including specific UV absorbance, absorbance ratio, and humification index did not properly discriminate among the different cluster groups except in the case of metal enrichment. Of the four decomposed PARAFAC components, humic-like and tryptophan-like fluorescence responded negatively and positively, respectively, to increasing degrees of the anthropogenic variables except for land use. The anthropogenic enrichment of heavy metals was positively associated with the abundance of tryptophan-like component. In contrast, humic-like component, known to be mostly responsible for metal binding, exhibited a decreasing trend corresponding with metal enrichment. These conflicting trends can be attributed to the overwhelmed effects of the coupled discharges of heavy metals and organic pollutants into sediments. Our study suggests that the PARAFAC components can be used as functional signatures to probe the anthropogenic influences on sediments. Copyright © 2016 Elsevier Ltd. All rights reserved.

Fluorescence, electrophoretic and chromatographic fingerprints of herbal medicines and their comparative chemometric analysis.

PubMed

Mazina, Jekaterina; Vaher, Merike; Kuhtinskaja, Maria; Poryvkina, Larisa; Kaljurand, Mihkel

2015-07-01

The aim of the present study was to compare the polyphenolic compositions of 47 medicinal herbs (HM) and four herbal tea mixtures from Central Estonia by rapid, reliable and sensitive Spectral Fluorescence Signature (SFS) method in a front face mode. The SFS method was validated for the main identified HM representatives including detection limits (0.037mgL(-1) for catechin, 0.052mgL(-1) for protocatechuic acid, 0.136mgL(-1) for chlorogenic acid, 0.058mgL(-1) for syringic acid and 0.256mgL(-1) for ferulic acid), linearity (up to 5.0-15mgL(-1)), intra-day precision (RSDs=6.6-10.6%), inter-day precision (RSDs=6.4-13.8%), matrix effect (-15.8 to +5.5) and recovery (85-107%). The phytochemical fingerprints were differentiated by parallel factor analysis (PARAFAC) combined with hierarchical cluster analysis (CA) and principal component analysis (PCA). HM were clustered into four main clusters (catechin-like, hydroxycinnamic acid-like, dihydrobenzoic acid-like derivatives containing HM and HM with low/very low content of fluorescent constituents) and 14 subclusters (rich, medium, low/very low contents). The average accuracy and precision of CA for validation HM set were 97.4% (within 85.2-100%) and 89.6%, (within 66.7-100%), respectively. PARAFAC-PCA/CA has improved the analysis of HM by the SFS method. The results were verified by two separation methods CE-DAD and HPLC-DAD-MS also combined with PARAFAC-PCA/CA. The SFS-PARAFAC-PCA/CA method has potential as a rapid and reliable tool for investigating the fingerprints and predicting the composition of HM or evaluating the quality and authenticity of different standardised formulas. Moreover, SFS-PARAFAC-PCA/CA can be implemented as a laboratory and/or an onsite method. Copyright © 2015 Elsevier B.V. All rights reserved.

Detection and quantification of extra virgin olive oil adulteration by means of autofluorescence excitation-emission profiles combined with multi-way classification.

PubMed

Durán Merás, Isabel; Domínguez Manzano, Jaime; Airado Rodríguez, Diego; Muñoz de la Peña, Arsenio

2018-02-01

Within olive oils, extra virgin olive oil is the highest quality and, in consequence, the most expensive one. Because of that, it is common that some merchants attempt to take economic advantage by mixing it up with other less expensive oils, like olive oil or olive pomace oil. In consequence, the characterization and authentication of extra virgin olive oils is a subject of great interest, both for industry and consumers. This paper reports the potential of front-face total fluorescence spectroscopy combined with second-order chemometric methods for the detection of extra virgin olive oils adulteration with other olive oils. Excitation-emission matrices (EEMs) of extra virgin olive oils and extra virgin olive oils adulterated with olive oils or with olive pomace oils were recorded using front-face fluorescence spectroscopy. The full information content in these fluorescence images was analyzed with the aid of unsupervised parallel factor analysis (PARAFAC), PARAFAC supervised by linear discriminant analysis (LDA-PARAFAC), and discriminant unfolded partial least-squares (DA-UPLS). The discriminant ability of LDA-PARAFAC was studied through the tridimensional plots of the canonical vectors, defining a surface separating the established categories. For DA-UPLS, the discriminant ability was established through the bidimensional plots of predicted values of calibration and validation samples, in order to assign each sample to a given class. The models demonstrated the possibility of detecting adulterations of extra virgin olive oils with percentages of around 15% and 3% of olive and olive pomace oils, respectively. Also, UPLS regression was used to quantify the adulteration level of extra virgin olive oils with olive oils or with olive pomace oils. Copyright © 2017 Elsevier B.V. All rights reserved.

Interaction of Benzo(a)pyrene with the natural organic matter of soil using three-dimensional (3-D) fluorescence spectroscopy with Parallel Factor Analysis

NASA Astrophysics Data System (ADS)

El Fallah, Rawa

2017-04-01

Benzo(a)pyrene (BaP) is a polycyclic aromatic hydrocarbon arising mainly from the incomplete combustion of organic material. It is toxic and has mutagenic and carcinogenic properties. It is classified as a priority pollutant by The United States Environmental Protection Agency (US-EPA). After it's emission in the atmosphere, and due to its physico-chemical properties, BaP will be deposited in the soil. Its aromaticity gives it the capacity to be studied by fluorescence spectroscopy so that of the Natural Organic Matter (NOM). In this study we used fluorescence excitation-emission-matrix (FEEM) with Parallel Factor analysis (PARAFAC) to study the interaction between NOM of soil and BaP. Soil sample was treated with Tetrasodium pyrophosphate along with Sodium hydroxide to obtain the Humic Substances, which afterwards were physically fractioned under acidic pH into solid Humic Acid and liquid Fulvic Acid. Three concentrations of BaP solution were added to each soil fraction. We compared the results of PARAFAC analysis of the samples containing BaP and the original NOM fractions. In the samples containing BaP, four fluorophores (components) were found, the fourth identified as BaP. Out of the three other fluorophores characteristic of NOM, two were found similar in all NOM fractions whereas only one fluorophore had some variations in its spectral characteristics. The presence of BaP changed the fluorescence of NOM. These modifications were depending on the type of soil fraction.

[Characterizing chromophoric dissolved organic matter (CDOM) in Lake Honghu, Lake Donghu and Lake Liangzihu using excitation-emission matrices (EEMs) fluorescence and parallel factor analysis (PARAFAC)].

PubMed

Zhou, Yong-Qiang; Zhang, Yun-Lin; Niu, Cheng; Wang, Ming-Zhu

2013-12-01

Little is known about DOM characteristics in medium to large sized lakes located in the middle and lower reaches of Yangtze River, like Lake Honghu, Lake Donghu and Lake Liangzihu. Absorption, fluorescence and composition characteristics of chromophoric dissolved organic matter (CDOM) are presented using the absorption spectroscopy, the excitation-emission ma trices (EEMs) fluorescence and parallel factor analysis (PARAFAC) model based on the data collected in Sep-Oct. 2007 including 15, 9 and 10 samplings in Lake Honghu, Lake Donghu and Lake Liangzihu, respectively. CDOM absorption coefficient at 350 nm a(350) coefficient in Lake Honghu was significantly higher than those in Lake Donghu and Lake Liangzihu (t-test, p< 0. 001). A significant negative correlation was found between CDOM spectral slope in the wavelength range of 280-500 nm (S280-500) and a(350) (R2 =0. 781, p<0. 001). The mean value of S280-500 in Lake Honghu was significantly lower than those in Lake Donghu (t-test, p

Estimating the Concentration and Biodegradability of Organic Matter in 22 Wastewater Treatment Plants Using Fluorescence Excitation Emission Matrices and Parallel Factor Analysis

PubMed Central

Yang, Liyang; Shin, Hyun-Sang; Hur, Jin

2014-01-01

This study aimed at monitoring the changes of fluorescent components in wastewater samples from 22 Korean biological wastewater treatment plants and exploring their prediction capabilities for total organic carbon (TOC), dissolved organic carbon (DOC), biochemical oxygen demand (BOD), chemical oxygen demand (COD), and the biodegradability of the wastewater using an optical sensing technique based on fluorescence excitation emission matrices and parallel factor analysis (EEM-PARAFAC). Three fluorescent components were identified from the samples by using EEM-PARAFAC, including protein-like (C1), fulvic-like (C2) and humic-like (C3) components. C1 showed the highest removal efficiencies for all the treatment types investigated here (69% ± 26%–81% ± 8%), followed by C2 (37% ± 27%–65% ± 35%), while humic-like component (i.e., C3) tended to be accumulated during the biological treatment processes. The percentage of C1 in total fluorescence (%C1) decreased from 54% ± 8% in the influents to 28% ± 8% in the effluents, while those of C2 and C3 (%C2 and %C3) increased from 43% ± 6% to 62% ± 9% and from 3% ± 7% to 10% ± 8%, respectively. The concentrations of TOC, DOC, BOD, and COD were the most correlated with the fluorescence intensity (Fmax) of C1 (r = 0.790–0.817), as compared with the other two fluorescent components. The prediction capability of C1 for TOC, BOD, and COD were improved by using multiple regression based on Fmax of C1 and suspended solids (SS) (r = 0.856–0.865), both of which can be easily monitored in situ. The biodegradability of organic matter in BOD/COD were significantly correlated with each PARAFAC component and their combinations (r = −0.598–0.613, p < 0.001), with the highest correlation coefficient shown for %C1. The estimation capability was further enhanced by using multiple regressions based on %C1, %C2 and C3/C2 (r = −0.691). PMID:24448170

Photo- and bio-reactivity patterns of dissolved organic matter from biomass and soil leachates and surface waters in a subtropical wetland.

PubMed

Chen, Meilian; Jaffé, Rudolf

2014-09-15

Dissolved organic carbon (DOC) measurements and optical properties were applied to assess the photo- and bio-reactivity of dissolved organic matter (DOM) from different sources, including biomass leaching, soil leaching and surface waters in a subtropical wetland ecosystem. Samples were exposed to light and/or dark incubated through controlled laboratory experiments. Changes in DOC, ultraviolet (UV-Vis) visible absorbance, and excitation-emission matrix (EEM) fluorescence combined with parallel factor analysis (PARAFAC) were performed to assess sample degradation. Degradation experiments showed that while significant amounts of DOC were consumed during bio-incubation for biomass leachates, a higher degree of bio-recalcitrance for soil leachate and particularly surface waters was displayed. Photo- and bio-humification transformations were suggested for sawgrass, mangrove, and seagrass leachates, as compared to substantial photo-degradation and very little to almost no change after bio-incubation for the other samples. During photo-degradation in most cases the EEM-PARAFAC components displayed photo-decay as compared to a few cases which featured photo-production. In contrast during bio-incubation most EEM-PARAFAC components proved to be mostly bio-refractory although some increases and decreases in abundance were also observed. Furthermore, the sequential photo- followed by bio-degradation showed, with some exceptions, a "priming effect" of light exposure on the bio-degradation of DOM, and the combination of these two processes resulted in a DOM composition more similar to that of the natural surface water for the different sub-environments. In addition, for leachate samples there was a general enrichment of one of the EEM-PARAFAC humic-like component (Ex/Em: <260(305)/416 nm) during photo-degradation and an enrichment of a microbial humc-like component (Ex/Em: <260(325)/406 nm and of a tryptophan-like component (Ex/Em: 300/342 nm) during the bio-degradation process. This study exemplifies the effectiveness of optical property and EEM-PARAFAC in the assessment of DOM reactivity and highlights the importance of the coupling of photo- and bio-degradation processes in DOM degradation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Coupling asymmetric flow-field flow fractionation and fluorescence parallel factor analysis reveals stratification of dissolved organic matter in a drinking water reservoir.

PubMed

Pifer, Ashley D; Miskin, Daniel R; Cousins, Sarah L; Fairey, Julian L

2011-07-08

Using asymmetrical flow field-flow fractionation (AF4) and fluorescence parallel factor analysis (PARAFAC), we showed physicochemical properties of chromophoric dissolved organic matter (CDOM) in the Beaver Lake Reservoir (Lowell, AR) were stratified by depth. Sampling was performed at a drinking water intake structure from May to July 2010 at three depths (3-, 10-, and 18-m) below the water surface. AF4-fractograms showed that the CDOM had diffusion coefficient peak maximums between 3.5 and 2.8 x 10⁻⁶ cm² s⁻¹, which corresponded to a molecular weight range of 680-1950 Da and a size of 1.6-2.5 nm. Fluorescence excitation-emission matrices of whole water samples and AF4-generated fractions were decomposed with a PARAFAC model into five principal components. For the whole water samples, the average total maximum fluorescence was highest for the 10-m depth samples and lowest (about 40% less) for 18-m depth samples. While humic-like fluorophores comprised the majority of the total fluorescence at each depth, a protein-like fluorophore was in the least abundance at the 10-m depth, indicating stratification of both total fluorescence and the type of fluorophores. The results present a powerful approach to investigate CDOM properties and can be extended to investigate CDOM reactivity, with particular applications in areas such as disinfection byproduct formation and control and evaluating changes in drinking water source quality driven by climate change. Copyright © 2010 Elsevier B.V. All rights reserved.

Assessment of phytoplankton class abundance using fluorescence excitation-emission matrix by parallel factor analysis and nonnegative least squares

NASA Astrophysics Data System (ADS)

Su, Rongguo; Chen, Xiaona; Wu, Zhenzhen; Yao, Peng; Shi, Xiaoyong

2015-07-01

The feasibility of using fluorescence excitation-emission matrix (EEM) along with parallel factor analysis (PARAFAC) and nonnegative least squares (NNLS) method for the differentiation of phytoplankton taxonomic groups was investigated. Forty-one phytoplankton species belonging to 28 genera of five divisions were studied. First, the PARAFAC model was applied to EEMs, and 15 fluorescence components were generated. Second, 15 fluorescence components were found to have a strong discriminating capability based on Bayesian discriminant analysis (BDA). Third, all spectra of the fluorescence component compositions for the 41 phytoplankton species were spectrographically sorted into 61 reference spectra using hierarchical cluster analysis (HCA), and then, the reference spectra were used to establish a database. Finally, the phytoplankton taxonomic groups was differentiated by the reference spectra database using the NNLS method. The five phytoplankton groups were differentiated with the correct discrimination ratios (CDRs) of 100% for single-species samples at the division level. The CDRs for the mixtures were above 91% for the dominant phytoplankton species and above 73% for the subdominant phytoplankton species. Sixteen of the 85 field samples collected from the Changjiang River estuary were analyzed by both HPLC-CHEMTAX and the fluorometric technique developed. The results of both methods reveal that Bacillariophyta was the dominant algal group in these 16 samples and that the subdominant algal groups comprised Dinophyta, Chlorophyta and Cryptophyta. The differentiation results by the fluorometric technique were in good agreement with those from HPLC-CHEMTAX. The results indicate that the fluorometric technique could differentiate algal taxonomic groups accurately at the division level.

Ozonation effects on emerging micropollutants and effluent organic matter in wastewater: characterization using changes of three-dimensional HP-SEC and EEM fluorescence data.

PubMed

Liu, Chen; Li, Penghui; Tang, Xiangyu; Korshin, Gregory V

2016-10-01

The degradation of effluent organic matter (EfOM) in a municipal wastewater treated by ozonation was characterized using the methods of high-performance size-exclusion chromatography (HP-SEC) and excitation/emission matrix (EEM) fluorescence combined with parallel factor analysis (PARAFAC). The removal of 40 diverse trace-level contaminants of emerging concern (CEC) present in the wastewater was determined as well. Ozonation caused a rapid decrease of the absorbance and fluorescence of the wastewater, which was associated primarily with the oxidation of high and low apparent molecular weight (AMW) EfOM fractions. PARAFAC analysis also showed that components C1 and C2 decreased prominently in these conditions. The EfOM fraction of intermediate molecular weight ascribable to a terrestrial humic-like component (C3) tended to be less reactive toward ozone. Relative changes of EEM fluorescence were quantified using F max values of PARAFAC-identified components (∆F/F 0 max ). Unambiguous relationships between ∆F/F 0 max values and the extent of the degradation of the examined CECs (∆C/C 0 ) were established. This allowed correlating main parameters of the ∆C/C 0 vs. ∆F/F 0 max relationships with the rates of oxidation of these CECs. The results demonstrate the potential of online measurements of EEM fluorescence for quantitating effects of ozonation on EfOM and micropollutants in wastewater effluents.

Linking groundwater dissolved organic matter to sedimentary organic matter from a fluvio-lacustrine aquifer at Jianghan Plain, China by EEM-PARAFAC and hydrochemical analyses.

PubMed

Huang, Shuang-bing; Wang, Yan-xin; Ma, Teng; Tong, Lei; Wang, Yan-yan; Liu, Chang-rong; Zhao, Long

2015-10-01

The sources of dissolved organic matter (DOM) in groundwater are important to groundwater chemistry and quality. This study examined similarities in the nature of DOM and investigated the link between groundwater DOM (GDOM) and sedimentary organic matter (SOM) from a lacustrine-alluvial aquifer at Jianghan Plain. Sediment, groundwater and surface water samples were employed for SOM extraction, optical and/or chemical characterization, and subsequent fluorescence excitation-emission matrix (EEM) and parallel factor analyses (PARAFAC). Spectroscopic properties of bulk DOM pools showed that indices indicative of GDOM (e.g., biological source properties, humification level, aromaticity and molecule mobility) varied within the ranges of those of two extracted end-members of SOM: humic-like materials and microbe-associated materials. The coexistence of PARAFAC compositions and the sustaining internal relationship between GDOM and extracted SOM indicate a similar source. The results from principal component analyses with selected spectroscopic indices showed that GDOM exhibited a transition trend regarding its nature: from refractory high-humification DOM to intermediate humification DOM and then to microbe-associated DOM, with decreasing molecular weight. Correlations of spectroscopic indices with physicochemical parameters of the groundwater suggested that GDOM was released from SOM and was modified by microbial diagenetic processes. The current study demonstrated the associations of GDOM with SOM from a spectroscopic viewpoint and provided new evidence supporting SOM as the source of GDOM. Copyright © 2015 Elsevier B.V. All rights reserved.

Absorption and fluorescence properties of colored dissolved organic matter in the Ross Sea during austral summer

NASA Astrophysics Data System (ADS)

D'Sa, E. J.; Kim, H. C.; Ha, S. Y.

2016-12-01

Colored dissolved organic matter (CDOM) spectral absorption and excitation-emission matrix (EEMs) fluorescence with parallel factor analysis (PARAFAC) were examined in the Ross Sea during a survey conducted on board the R/V Araon in the austral summer of 14/15. CDOM absorption at 355 nm ranged from 0.06 to 1.14 m-1 while spectral slope S calculated between 275-295 nm wavelength ranged from 18.83 to 33.32 µm-1 with water masses playing an important role in its variability. Spectral slope S decreased with increasing CDOM absorption indicating the strong role of photo-oxidation on CDOM abundance during the summer. PARAFAC analysis of EEM data identified two humic-like (terrestrial and marine-like) and a protein-like (tryptophan-like) component. The two humic-like components were well correlated with little variability spatially and across the water column ( 0-100 m) likely indicating more refractory material. The protein-like fluorescent component was relatively quite variable supporting the autochthonous production of this fluorescent component in the highly productive Ross Sea waters.

Characterisation of landfill leachate by EEM-PARAFAC-SOM during physical-chemical treatment by coagulation-flocculation, activated carbon adsorption and ion exchange.

PubMed

Oloibiri, Violet; De Coninck, Sam; Chys, Michael; Demeestere, Kristof; Van Hulle, Stijn W H

2017-11-01

The combination of fluorescence excitation-emission matrices (EEM), parallel factor analysis (PARAFAC) and self-organizing maps (SOM) is shown to be a powerful tool in the follow up of dissolved organic matter (DOM) removal from landfill leachate by physical-chemical treatment consisting of coagulation, granular activated carbon (GAC) and ion exchange. Using PARAFAC, three DOM components were identified: C1 representing humic/fulvic-like compounds; C2 representing tryptophan-like compounds; and C3 representing humic-like compounds. Coagulation with ferric chloride (FeCl 3 ) at a dose of 7 g/L reduced the maximum fluorescence of C1, C2 and C3 by 52%, 17% and 15% respectively, while polyaluminium chloride (PACl) reduced C1 only by 7% at the same dose. DOM removal during GAC and ion exchange treatment of raw and coagulated leachate exhibited different profiles. At less than 2 bed volumes (BV) of treatment, the humic components C1 and C3 were rapidly removed, whereas at BV ≥ 2 the tryptophan-like component C2 was preferentially removed. Overall, leachate treated with coagulation +10.6 BV GAC +10.6 BV ion exchange showed the highest removal of C1 (39% - FeCl 3 , 8% - PACl), C2 (74% - FeCl 3 , 68% - PACl) and no C3 removal; whereas only 52% C2 and no C1 and C3 removal was observed in raw leachate treated with 10.6 BV GAC + 10.6 BV ion exchange only. Analysis of PARAFAC-derived components with SOM revealed that coagulation, GAC and ion exchange can treat leachate at least 50% longer than only GAC and ion exchange before the fluorescence composition of leachate remains unchanged. Copyright © 2017 Elsevier Ltd. All rights reserved.

Photochemical reactivities of dissolved organic matter (DOM) in a sub-alpine lake revealed by EEM-PARAFAC: An insight into the fate of allochthonous DOM in alpine lakes affected by climate change.

PubMed

Du, Yingxun; Zhang, Yuanyuan; Chen, Feizhou; Chang, Yuguang; Liu, Zhengwen

2016-10-15

Due to climate change, tree line advance is occurring in many alpine regions. Within the next 50 to 100years, alpine lake catchments are expected to develop increased vegetation cover similar to that of sub-alpine lake catchments which currently exist below the tree line. Such changes in vegetation could trigger increased allochthonous DOM inputs to alpine lakes. To understand the fate of allochthonous DOM in alpine lakes impacted by climate change, the photochemical reactivity of DOM in sub-alpine Lake Tiancai (located 200m below the tree line) was investigated by excitation emission matrix fluorescence combined with parallel factor analysis (EEM-PARAFAC) and UV-Vis spectra analysis. With photo-exposure, a decrease in apparent DOM molecular weight was observed and 32% DOM was photomineralized to CO2. Interestingly, the aromaticity of DOM increased after photodegradation, as evidenced by increases in both the specific UV absorbance at 254nm (SUVA254) and the humification index (HIX). Five EEM-PARAFAC components were identified, including four terrestrially-derived substances (C1, C2, C3 and C4; allochthonous) and one tryptophan-like substance (C5; autochthonous). Generally, allochthonous DOM represented by C2 and C3 exhibited greater photoreactivity than autochthonous DOM represented by C5. C4 was identified as a possible photoproduct with relatively high aromaticity and photorefractive tendencies and contributed to the observed increase in SUVA254 and HIX. UV light facilitated the photodegradation of DOM and had the greatest effect on the removal of C3. This study provides information on the transformation of EEM-PARAFAC components in a sub-alpine lake, which is important in understanding the fate of increased allochthonous DOM inputs to alpine lakes impacted by climate change. Copyright © 2016 Elsevier B.V. All rights reserved.

Effects of iron on optical properties of dissolved organic matter.

PubMed

Poulin, Brett A; Ryan, Joseph N; Aiken, George R

2014-09-02

Iron is a source of interference in the spectroscopic analysis of dissolved organic matter (DOM); however, its effects on commonly employed ultraviolet and visible (UV-vis) light adsorption and fluorescence measurements are poorly defined. Here, we describe the effects of iron(II) and iron(III) on the UV-vis absorption and fluorescence of solutions containing two DOM fractions and two surface water samples. In each case, regardless of DOM composition, UV-vis absorption increased linearly with increasing iron(III). Correction factors were derived using iron(III) absorption coefficients determined at wavelengths commonly used to characterize DOM. Iron(III) addition increased specific UV absorbances (SUVA) and decreased the absorption ratios (E2:E3) and spectral slope ratios (SR) of DOM samples. Both iron(II) and iron(III) quenched DOM fluorescence at pH 6.7. The degree and region of fluorescence quenching varied with the iron:DOC concentration ratio, DOM composition, and pH. Regions of the fluorescence spectra associated with greater DOM conjugation were more susceptible to iron quenching, and DOM fluorescence indices were sensitive to the presence of both forms of iron. Analyses of the excitation-emission matrices using a 7- and 13-component parallel factor analysis (PARAFAC) model showed low PARAFAC sensitivity to iron addition.

Effects of iron on optical properties of dissolved organic matter

USGS Publications Warehouse

Poulin, Brett; Ryan, Joseph N.; Aiken, George R.

2014-01-01

Iron is a source of interference in the spectroscopic analysis of dissolved organic matter (DOM); however, its effects on commonly employed ultraviolet and visible (UV–vis) light adsorption and fluorescence measurements are poorly defined. Here, we describe the effects of iron(II) and iron(III) on the UV–vis absorption and fluorescence of solutions containing two DOM fractions and two surface water samples. In each case, regardless of DOM composition, UV–vis absorption increased linearly with increasing iron(III). Correction factors were derived using iron(III) absorption coefficients determined at wavelengths commonly used to characterize DOM. Iron(III) addition increased specific UV absorbances (SUVA) and decreased the absorption ratios (E2:E3) and spectral slope ratios (SR) of DOM samples. Both iron(II) and iron(III) quenched DOM fluorescence at pH 6.7. The degree and region of fluorescence quenching varied with the iron:DOC concentration ratio, DOM composition, and pH. Regions of the fluorescence spectra associated with greater DOM conjugation were more susceptible to iron quenching, and DOM fluorescence indices were sensitive to the presence of both forms of iron. Analyses of the excitation–emission matrices using a 7- and 13-component parallel factor analysis (PARAFAC) model showed low PARAFAC sensitivity to iron addition.

Migration test of Bisphenol A from polycarbonate cups using excitation-emission fluorescence data with parallel factor analysis.

PubMed

Spagnuolo, M L; Marini, F; Sarabia, L A; Ortiz, M C

2017-05-15

Bisphenol A (BPA) is one of the most largely produced chemical in the world; it is used to make plastics and epoxy resins. The endocrine disruptor potential of BPA is well known, but recent researches suggest a relationship between chronic exposure to BPA, genotoxic activity and epigenetic modifications. The main source of exposure to BPA includes food contact materials (FCM). Thus simple and robust test methods are needed to improve the migration test of BPA. In this work, a non-separative, easy, fast and inexpensive spectrofluorimetric method based on the second order calibration of excitation-emission fluorescence matrices (EEMs) was proposed for the determination of BPA. For the first time, molecular fluorescence was used to identify unequivocally and quantify BPA. Trilinearity of the data tensor guarantees the uniqueness of the solution obtained through parallel factor analysis (PARAFAC), so one factor of the decomposition matches up with BPA even if other fluorophores are in the test sample. The effect of four experimental factors of the procedure on the figures of merit and the unequivocally identification was investigated by means of a D-optimal design and PARAFAC calibration. The method is linear and accurate in the range 0-720µgL -1 . The decision limit CCα and detection capability CCβ are 6.63µgL -1 and 18.85µgL -1 respectively (with probabilities of false positive and false negative fixed at 0.05). Finally the proposed method was applied to carry out a migration test from two polycarbonate cups, using 3% (w/v) acetic acid in aqueous solution as food simulant. The migrated amount of BPA was found to be 688.7µgL -1 (n=5) for the first cup and 710.5µgL -1 (n=4) for the second one, above the specific migration limit set by EFSA (European Food Safety Authority). Copyright © 2017 Elsevier B.V. All rights reserved.

Novel insights into anoxic/aerobic(1)/aerobic(2) biological fluidized-bed system for coke wastewater treatment by fluorescence excitation-emission matrix spectra coupled with parallel factor analysis.

PubMed

Ou, Hua-Se; Wei, Chao-Hai; Mo, Ce-Hui; Wu, Hai-Zhen; Ren, Yuan; Feng, Chun-Hua

2014-10-01

Fluorescence spectroscopy coupled with parallel factor analysis (PARAFAC) was applied to investigate the contaminant removal efficiency and fluorescent characteristic variations in a full scale coke wastewater (CWW) treatment plant with a novel anoxic/aerobic(1)/aerobic(2) (A/O(1)/O(2)) process, which combined with internal-loop fluidized-bed reactor. Routine monitoring results indicated that primary contaminants in CWW, such as phenols and free cyanide, were removed efficiently in A/O(1)/O(2) process (removal efficiency reached 99% and 95%, respectively). Three-dimensional excitation-emission matrix fluorescence spectroscopy and PARAFAC identified three fluorescent components, including two humic-like fluorescence components (C1 and C3) and one protein-like component (C2). Principal component analysis revealed that C1 and C2 correlated with COD (correlation coefficient (r)=0.782, p<0.01 and r=0.921, p<0.01), respectively) and phenols (r=0.796, p<0.01 and r=0.914, p<0.01, respectively), suggesting that C1 and C2 might be associated with the predominating aromatic contaminants in CWW. C3 correlated with mixed liquor suspended solids (r=0.863, p<0.01) in fluidized-bed reactors, suggesting that it might represent the biological dissolved organic matter. In A/O(1)/O(2) process, the fluorescence intensities of C1 and C2 consecutively decreased, indicating the degradation of aromatic contaminants. Correspondingly, the fluorescence intensity of C3 increased in aerobic(1) stage, suggesting an increase of biological dissolved organic matter. Copyright © 2014 Elsevier Ltd. All rights reserved.

Relationship between soluble microbial products (SMP) and effluent organic matter (EfOM): characterized by fluorescence excitation emission matrix coupled with parallel factor analysis.

PubMed

Yu, Huarong; Qu, Fangshu; Sun, Lianpeng; Liang, Heng; Han, Zhengshuang; Chang, Haiqing; Shao, Senlin; Li, Guibai

2015-02-01

Effluent organic matter (EfOM) originating from wastewater treatment plant (WWTP) is of significant concern, as it not only influences the discharge quality of WWTP but also exerts a significant effect on the efficiency of the downstream advanced treatment facilities. Soluble microbial products (SMP) is a major part of EfOM. In order to further understand the relationship between soluble microbial products (SMP) and EfOM, and in turn, to propose measures for EfOM control, the formation of SMP and EfOM in identical activated sludge sequencing batch reactors (SBR) with different feed water was investigated using fluorescence excitation and emission spectroscopy matrix coupled with parallel factor analysis (EEM-PARAFAC) as well as other organic matter quantification tools. Results showed that EfOM contained not only SMP but also a considerable amount of allochthonous organic matter that derived not merely from natural organic matter (NOM). Four components in EfOM/SMP were identified by EEM-PARAFAC. Tyrosine-like substances in EfOM (Component 3, λex/em=270/316 nm) were mainly originated from utilization associated products (UAP) of SMP. Tryptophan-like substances (Component 2, λex/em=280/336 nm) as well as fulvic-like and humic-like substances in EfOM (Component 1, λex/em=240(290)/392 nm and Component 4, λex/em=260(365)/444 nm) were majorly derived from the refractory substances introduced along with the influent, among which Component 2 was stemmed from sources other than NOM. As solid retention time (SRT) increased, Component 2 and polysaccharides in SMP/EfOM decreased, while Component 4 in SMP increased. Copyright © 2014 Elsevier Ltd. All rights reserved.

HPSEC reveals ubiquitous components in fluorescent dissolved organic matter across aquatic ecosystems

NASA Astrophysics Data System (ADS)

Wünsch, Urban; Murphy, Kathleen; Stedmon, Colin

2017-04-01

Absorbance and fluorescence spectroscopy are efficient tools for tracing the supply, turnover and fate of dissolved organic matter (DOM). The fluorescent fraction of DOM (FDOM) can be characterized by measuring excitation-emission matrices and decomposing the combined fluorescence signal into independent underlying fraction using Parallel Factor Analysis (PARAFAC). Comparisons between studies, facilitated by the OpenFluor database, reveal highly similar components across different aquatic systems and between studies. To obtain PARAFAC models in sufficient quality, scientists traditionally rely on analyzing dozens to hundreds of samples spanning environmental gradients. A cross-validation of this approach using different analytical tools has not yet been accomplished. In this study, we applied high-performance size-exclusion chromatography (HPSEC) to characterize the size-dependent optical properties of dissolved organic matter of samples from contrasting aquatic environments with online absorbance and fluorescence detectors. Each sample produced hundreds of absorbance spectra of colored DOM (CDOM) and hundreds of matrices of FDOM intensities. This approach facilitated the detailed study of CDOM spectral slopes and further allowed the reliable implementation of PARAFAC on individual samples. This revealed a high degree of overlap in the spectral properties of components identified from different sites. Moreover, many of the model components showed significant spectral congruence with spectra in the OpenFluor database. Our results provide evidence of the presence of ubiquitous FDOM components and additionally provide further evidence for the supramolecular assembly hypothesis. They demonstrate the potential for HPSEC to provide a wealth of new insights into the relationship between optical and chemical properties of DOM.

Fluorescence characterization of fractionated dissolved organic matter in the five tributaries of Poyang Lake, China.

PubMed

Yan, Caixia; Liu, Huihui; Sheng, Yanru; Huang, Xian; Nie, Minghua; Huang, Qi; Baalousha, Mohammed

2018-10-01

Characterization of natural colloids is the key to understand pollutant fate and transport in the environment. The present study investigates the relationship between size and fluorescence properties of colloidal organic matter (COM) from five tributaries of Poyang Lake. Colloids were size-fractionated using cross-flow ultrafiltration and their fluorescence properties were measured by three-dimensional excitation-emission matrix fluorescence spectroscopy (3D-EEM). Parallel factor analysis (PARAFAC) and/or Self-organizing map (SOM) were applied to assess fluorescence properties as proxy indicators for the different size of colloids. PARAFAC analysis identified four fluorescence components including three humic-like components (C1-C3) and a protein-like component (C4). These four fluorescence components, and in particular the protein-like component, are primarily present in <1 kDa phase. For the colloidal fractions (1-10 kDa, 10-100 kDa, and 100 kDa-0.7 μm), the majority of fluorophores are associated with the smallest size fraction. SOM analysis demonstrated that relatively high fluorescence intensity and aromaticity occur primarily in <1 kDa phase, followed by 1-10 kDa colloids. Coupling PARAFAC and SOM facilitate the visualization and interpretation of the relationship between colloidal size and fluorescence properties with fewer input variables, shorter running time, higher reliability, and nondestructive results. Fluorescence indices analysis reveals that the smallest colloidal fraction (1-10 kDa) was dominated by higher humified and less autochthonous COM. Copyright © 2018 Elsevier B.V. All rights reserved.

Comprehensive analysis of yeast metabolite GC x GC-TOFMS data: combining discovery-mode and deconvolution chemometric software.

PubMed

Mohler, Rachel E; Dombek, Kenneth M; Hoggard, Jamin C; Pierce, Karisa M; Young, Elton T; Synovec, Robert E

2007-08-01

The first extensive study of yeast metabolite GC x GC-TOFMS data from cells grown under fermenting, R, and respiring, DR, conditions is reported. In this study, recently developed chemometric software for use with three-dimensional instrumentation data was implemented, using a statistically-based Fisher ratio method. The Fisher ratio method is fully automated and will rapidly reduce the data to pinpoint two-dimensional chromatographic peaks differentiating sample types while utilizing all the mass channels. The effect of lowering the Fisher ratio threshold on peak identification was studied. At the lowest threshold (just above the noise level), 73 metabolite peaks were identified, nearly three-fold greater than the number of previously reported metabolite peaks identified (26). In addition to the 73 identified metabolites, 81 unknown metabolites were also located. A Parallel Factor Analysis graphical user interface (PARAFAC GUI) was applied to selected mass channels to obtain a concentration ratio, for each metabolite under the two growth conditions. Of the 73 known metabolites identified by the Fisher ratio method, 54 were statistically changing to the 95% confidence limit between the DR and R conditions according to the rigorous Student's t-test. PARAFAC determined the concentration ratio and provided a fully-deconvoluted (i.e. mathematically resolved) mass spectrum for each of the metabolites. The combination of the Fisher ratio method with the PARAFAC GUI provides high-throughput software for discovery-based metabolomics research, and is novel for GC x GC-TOFMS data due to the use of the entire data set in the analysis (640 MB x 70 runs, double precision floating point).

Characterization of CDOM from urban waters in Northern-Northeastern China using excitation-emission matrix fluorescence and parallel factor analysis.

PubMed

Zhao, Ying; Song, Kaishan; Li, Sijia; Ma, Jianhang; Wen, Zhidan

2016-08-01

Chromophoric dissolved organic matter (CDOM) plays an important role in aquatic systems, but high concentrations of organic materials are considered pollutants. The fluorescent component characteristics of CDOM in urban waters sampled from Northern and Northeastern China were examined by excitation-emission matrix fluorescence and parallel factor analysis (EEM-PARAFAC) to investigate the source and compositional changes of CDOM on both space and pollution levels. One humic-like (C1), one tryptophan-like component (C2), and one tyrosine-like component (C3) were identified by PARAFAC. Mean fluorescence intensities of the three CDOM components varied spatially and by pollution level in cities of Northern and Northeastern China during July-August, 2013 and 2014. Principal components analysis (PCA) was conducted to identify the relative distribution of all water samples. Cluster analysis (CA) was also used to categorize the samples into groups of similar pollution levels within a study area. Strong positive linear relationships were revealed between the CDOM absorption coefficients a(254) (R (2) = 0.89, p < 0.01); a(355) (R (2) = 0.94, p < 0.01); and the fluorescence intensity (F max) for the humic-like C1 component. A positive linear relationship (R (2) = 0.77) was also exhibited between dissolved organic carbon (DOC) and the F max for the humic-like C1 component, but a relatively weak correlation (R (2) = 0.56) was detected between DOC and the F max for the tryptophan-like component (C2). A strong positive correlation was observed between the F max for the tryptophan-like component (C2) and total nitrogen (TN) (R (2) = 0.78), but moderate correlations were observed with ammonium-N (NH4-N) (R (2) = 0.68), and chemical oxygen demand (CODMn) (R (2) = 0.52). Therefore, the fluorescence intensities of CDOM components can be applied to monitor water quality in real time compared to that of traditional approaches. These results demonstrate that EEM-PARAFAC is useful to evaluate the dynamics of CDOM fluorescent components in urban waters from Northern and Northeastern China and this method has potential applications for monitoring urban water quality in different regions with various hydrological conditions and pollution levels.

Source analysis of organic matter in swine wastewater after anaerobic digestion with EEM-PARAFAC.

PubMed

Zeng, Zhuo; Zheng, Ping; Ding, Aqiang; Zhang, Meng; Abbas, Ghulam; Li, Wei

2017-03-01

Swine wastewater is one of the most serious pollution sources, and it has attracted a great public concern in China. Anaerobic digestion technology is extensively used in swine wastewater treatment. However, the anaerobic digestion effluents are difficult to meet the discharge standard. The results from batch experiments showed that plenty of refractory organic matter remained in the effluents after mesophilic anaerobic digestion for 30 days. The effluent total COD (tCOD) and soluble COD (sCOD) were 483 and 324 mg/L, respectively, with the sCOD/tCOD ratio of 0.671. Fluorescence excitation-emission matrix (EEM) coupled with parallel factor analysis (PARAFAC) revealed that the dissolved organic matter in the effluents was tryptophan-like substance, humic acid substance, and fulvic acid substance. Based on the appearance time during anaerobic digestion, tryptophan-like substance and humic acid substance were inferred to originate from the raw swine wastewater, and the fulvic acid substance was inferred to be formed in the anaerobic digestion. This work has revealed the source of residual organic matter in anaerobic digestion of swine wastewater and has provided some valuable information for the post-treatment.

Ethanol- and trifluoroethanol-induced changes in phase states of DPPC membranes. Prodan emission-excitation fluorescence spectroscopy supported by PARAFAC analysis

NASA Astrophysics Data System (ADS)

Horochowska, Martyna; Cieślik-Boczula, Katarzyna; Rospenk, Maria

2018-03-01

It has been shown that Prodan emission-excitation fluorescence spectroscopy supported by Parallel Factor (PARAFAC) analysis is a fast, simple and sensitive method used in the study of the phase transition from the noninterdigitated gel (Lβ‧) state to the interdigitated gel (LβI) phase, triggered by ethanol and 2,2,2-trifluoroethanol (TFE) molecules in dipalmitoylphosphatidylcholines (DPPC) membranes. The relative contribution of lipid phases with spectral characteristics of each pure phase component has been presented as a function of an increase in alcohol concentration. It has been stated that both alcohol molecules can induce a formation of the LβI phase, but TFE is over six times stronger inducer of the interdigitated phase in DPPC membranes than ethanol molecules. Moreover, in the TFE-mixed DPPC membranes, the transition from the Lβ‧ to LβI phase is accompanied by a formation of the fluid phase, which most probably serves as a boundary phase between the Lβ‧ and LβI regions. Contrary to the three phase-state model of TFE-mixed DPPC membranes, in ethanol-mixed DPPC membranes only the two phase-state model has been detected.

Characterization and classification of oral tissues using excitation and emission matrix: a statistical modeling approach

NASA Astrophysics Data System (ADS)

Kanniyappan, Udayakumar; Gnanatheepaminstein, Einstein; Prakasarao, Aruna; Dornadula, Koteeswaran; Singaravelu, Ganesan

2017-02-01

Cancer is one of the most common human threats around the world and diagnosis based on optical spectroscopy especially fluorescence technique has been established as the standard approach among scientist to explore the biochemical and morphological changes in tissues. In this regard, the present work aims to extract spectral signatures of the various fluorophores present in oral tissues using parallel factor analysis (PARAFAC). Subsequently, the statistical analysis also to be performed to show its diagnostic potential in distinguishing malignant, premalignant from normal oral tissues. Hence, the present study may lead to the possible and/or alternative tool for oral cancer diagnosis.

Tensor-driven extraction of developmental features from varying paediatric EEG datasets.

PubMed

Kinney-Lang, Eli; Spyrou, Loukianos; Ebied, Ahmed; Chin, Richard Fm; Escudero, Javier

2018-05-21

Constant changes in developing children's brains can pose a challenge in EEG dependant technologies. Advancing signal processing methods to identify developmental differences in paediatric populations could help improve function and usability of such technologies. Taking advantage of the multi-dimensional structure of EEG data through tensor analysis may offer a framework for extracting relevant developmental features of paediatric datasets. A proof of concept is demonstrated through identifying latent developmental features in resting-state EEG. Approach. Three paediatric datasets (n = 50, 17, 44) were analyzed using a two-step constrained parallel factor (PARAFAC) tensor decomposition. Subject age was used as a proxy measure of development. Classification used support vector machines (SVM) to test if PARAFAC identified features could predict subject age. The results were cross-validated within each dataset. Classification analysis was complemented by visualization of the high-dimensional feature structures using t-distributed Stochastic Neighbour Embedding (t-SNE) maps. Main Results. Development-related features were successfully identified for the developmental conditions of each dataset. SVM classification showed the identified features could accurately predict subject at a significant level above chance for both healthy and impaired populations. t-SNE maps revealed suitable tensor factorization was key in extracting the developmental features. Significance. The described methods are a promising tool for identifying latent developmental features occurring throughout childhood EEG. © 2018 IOP Publishing Ltd.

Computing sensitivity and selectivity in parallel factor analysis and related multiway techniques: the need for further developments in net analyte signal theory.

PubMed

Olivieri, Alejandro C

2005-08-01

Sensitivity and selectivity are important figures of merit in multiway analysis, regularly employed for comparison of the analytical performance of methods and for experimental design and planning. They are especially interesting in the second-order advantage scenario, where the latter property allows for the analysis of samples with a complex background, permitting analyte determination even in the presence of unsuspected interferences. Since no general theory exists for estimating the multiway sensitivity, Monte Carlo numerical calculations have been developed for estimating variance inflation factors, as a convenient way of assessing both sensitivity and selectivity parameters for the popular parallel factor (PARAFAC) analysis and also for related multiway techniques. When the second-order advantage is achieved, the existing expressions derived from net analyte signal theory are only able to adequately cover cases where a single analyte is calibrated using second-order instrumental data. However, they fail for certain multianalyte cases, or when third-order data are employed, calling for an extension of net analyte theory. The results have strong implications in the planning of multiway analytical experiments.

Seasonal variation in the quality of dissolved and particulate organic matter exchanged between a salt marsh and its adjacent estuary

NASA Astrophysics Data System (ADS)

Osburn, Christopher L.; Mikan, Molly P.; Etheridge, J. Randall; Burchell, Michael R.; Birgand, François

2015-07-01

Fluorescence was used to examine the quality of dissolved and particulate organic matter (DOM and POM) exchanging between a tidal creek in a created salt marsh and its adjacent estuary in eastern North Carolina, USA. Samples from the creek were collected hourly over four tidal cycles in May, July, August, and October 2011. Absorbance and fluorescence of chromophoric DOM (CDOM) and of base-extracted POM (BEPOM) served as the tracers for organic matter quality while dissolved organic carbon (DOC) and base-extracted particulate organic carbon (BEPOC) were used to compute fluxes. Fluorescence was modeled using parallel factor analysis (PARAFAC) and principle components analysis (PCA) of the PARAFAC results. Of nine PARAFAC components (C) modeled, C3 represented recalcitrant DOM and C4 represented fresher soil-derived source DOM. Component 1 represented detrital POM, and C6 represented planktonic POM. Based on mass balance, recalcitrant DOC export was 86 g C m-2 yr-1 and labile DOC export was 49 g C m-2 yr-1; no planktonic DOC was exported. The marsh also exported 41 g C m-2 yr-1 of detrital terrestrial POC, which likely originated from lands adjacent to the North River estuary. Planktonic POC export from the marsh was 6 g C m-2 yr-1. Assuming the exported organic matter was oxidized to CO2 and scaled up to global salt marsh area, respiration of salt marsh DOC and POC transported to estuaries could amount to a global CO2 flux of 11 Tg C yr-1, roughly 4% of the recently estimated CO2 release for marshes and estuaries globally.

Second-order data obtained by beta-cyclodextrin complexes: a novel approach for multicomponent analysis with three-way multivariate calibration methods.

PubMed

Khani, Rouhollah; Ghasemi, Jahan B; Shemirani, Farzaneh

2014-10-01

This research reports the first application of β-cyclodextrin (β-CD) complexes as a new method for generation of three way data, combined with second-order calibration methods for quantification of a binary mixture of caffeic (CA) and vanillic (VA) acids, as model compounds in fruit juices samples. At first, the basic experimental parameters affecting the formation of inclusion complexes between target analytes and β-CD were investigated and optimized. Then under the optimum conditions, parallel factor analysis (PARAFAC) and bilinear least squares/residual bilinearization (BLLS/RBL) were applied for deconvolution of trilinear data to get spectral and concentration profiles of CA and VA as a function of β-CD concentrations. Due to severe concentration profile overlapping between CA and VA in β-CD concentration dimension, PARAFAC could not be successfully applied to the studied samples. So, BLLS/RBL performed better than PARAFAC. The resolution of the model compounds was possible due to differences in the spectral absorbance changes of the β-CD complexes signals of the investigated analytes, opening a new approach for second-order data generation. The proposed method was validated by comparison with a reference method based on high-performance liquid chromatography photodiode array detection (HPLC-PDA), and no significant differences were found between the reference values and the ones obtained with the proposed method. Such a chemometrics-based protocol may be a very promising tool for more analytical applications in real samples monitoring, due to its advantages of simplicity, rapidity, accuracy, sufficient spectral resolution and concentration prediction even in the presence of unknown interferents. Copyright © 2014 Elsevier B.V. All rights reserved.

Tracking fluorescent dissolved organic matter in multistage rivers using EEM-PARAFAC analysis: implications of the secondary tributary remediation for watershed management.

PubMed

Nie, Zeyu; Wu, Xiaodong; Huang, Haomin; Fang, Xiaomin; Xu, Chen; Wu, Jianyu; Liang, Xinqiang; Shi, Jiyan

2016-05-01

Profound understanding of behaviors of organic matter from sources to multistage rivers assists watershed management for improving water quality of river networks in rural areas. Ninety-one water samples were collected from the three orders of receiving rivers in a typical combined polluted subcatchment (diffuse agricultural pollutants and domestic sewage) located in China. Then, the fluorescent dissolved organic matter (FDOM) information for these samples was determined by the excitation-emission matrix coupled with parallel factor analysis (EEM-PARAFAC). Consequently, two typical humic-like (C1 and C2) and other two protein-like (C3 and C4) components were separated. Their fluorescence peaks were located at λ ex/em = 255(360)/455, <250(320)/395, 275/335, and <250/305 nm, which resembled the traditional peaks of A + C, A + M, T, and B, respectively. In addition, C1 and C2 accounted for the dominant contributions to FDOM (>60 %). Principal component analysis (PCA) further demonstrated that, except for the autochthonous produced C4, the allochthonous components (C1 and C2) had the same terrestrial origins, but C3 might possess the separate anthropogenic and biological sources. Moreover, the spatial heterogeneity of contamination levels was noticeable in multistage rivers, and the allochthonous FDOM was gradually homogenized along the migration directions. Interestingly, the average content of the first three PARAFAC components in secondary tributaries and source pollutants had significantly higher levels than that in subsequent receiving rivers, thus suggesting that the supervision and remediation for secondary tributaries would play a prominent role in watershed management works.

Evaluating the distribution of terrestrial dissolved organic matter in a complex coastal ecosystem using fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Yamashita, Youhei; Boyer, Joseph N.; Jaffé, Rudolf

2013-09-01

The coastal zone of the Florida Keys features the only living coral reef in the continental United States and as such represents a unique regional environmental resource. Anthropogenic pressures combined with climate disturbances such as hurricanes can affect the biogeochemistry of the region and threaten the health of this unique ecosystem. As such, water quality monitoring has historically been implemented in the Florida Keys, and six spatially distinct zones have been identified. In these studies however, dissolved organic matter (DOM) has only been studied as a quantitative parameter, and DOM composition can be a valuable biogeochemical parameter in assessing environmental change in coastal regions. Here we report the first data of its kind on the application of optical properties of DOM, in particular excitation emission matrix fluorescence with parallel factor analysis (EEM-PARAFAC), throughout these six Florida Keys regions in an attempt to assess spatial differences in DOM sources. Our data suggests that while DOM in the Florida Keys can be influenced by distant terrestrial environments such as the Everglades, spatial differences in DOM distribution were also controlled in part by local surface runoff/fringe mangroves, contributions from seasgrass communities, as well as the reefs and waters from the Florida Current. Application of principal component analysis (PCA) of the relative abundance of EEM-PARAFAC components allowed for a clear distinction between the sources of DOM (allochthonous vs. autochthonous), between different autochthonous sources and/or the diagenetic status of DOM, and further clarified contribution of terrestrial DOM in zones where levels of DOM were low in abundance. The combination between EEM-PARAFAC and PCA proved to be ideally suited to discern DOM composition and source differences in coastal zones with complex hydrology and multiple DOM sources.

Character and chlorine reactivity of dissolved organic matter from a mountain pine beetle impacted watershed.

PubMed

Beggs, Katherine M H; Summers, R Scott

2011-07-01

Lodgepole pine needle leachates from trees killed by the mountain pine beetle epidemic in Colorado were evaluated for dissolved organic matter (DOM) character, biodegradation, treatability by coagulation and disinfection byproduct (DBP) formation. An average of 8.0 (±0.62) mg-DOC/g-dry weight of litter was leached from three sets of needle samples representing different levels of forest floor degradation. Fluorescence analysis included collection of excitation and emission matrices, examination of peak intensities and development of a 4-component parallel factor (PARAFAC) analysis model. Peak intensity and PARAFAC analyses provided complementary results showing that fresh leachates were initially dominated by polyphenolic/protein-like components (60-70%) and humic-like fluorescence increased (40-70%) after biodegradation. Humic-like components were removed by coagulation (20-64%), while polyphenolic/protein-like components were not, which may create challenges for utilities required to meet OM removal regulations. DBP formation yields after 24 h chlorination were 20.5-26.4 μg/mg-DOC for trihalomethanes and 9.0-14.5 μg/mg-DOC for haloacetic acids for fresh leachates; increased after biodegradation to 19.2-64.2 and 7.1-30.9 μg/mg-DOC, respectively; and decreased after coagulation (fresh: 11.3-17.7;5.7-7.6 μg/mg-DOC, respectively; biodegraded: 12.0-27.3 and 2.9-7.2 μg/mg-DOC, respectively), reflective of changes in concentration of humic material. Humic-like PARAFAC components and peak intensities were positively correlated (R(2) ≥ 0.45) to DBP concentrations, while polyphenolic/protein-like components were not (R(2) ≤ 0.17).

Analytical Determinations of the Phenolic Content of Dissolved Organic Matter

NASA Astrophysics Data System (ADS)

Pagano, T.; Kenny, J. E.

2010-12-01

Indicators suggest that the amount of dissolved organic matter (DOM) in natural waters is increasing. Climate Change has been proposed as a potential contributor to the trend, and under this mechanism, the phenolic content of DOM may also be increasing. We have explored the possibility of assessing the phenolic character of DOM using fluorescence spectroscopy as a more convenient alternative to wet chemistry methods. In this work, parallel factor analysis (PARAFAC) was applied to fluorescence excitation emission matrices (EEMs) of humic samples in an attempt to analyze their phenolic content. The PARAFAC results were correlated with phenol concentrations derived from the Folin-Ciocalteau reagent-based method. The reagent-based method showed that the phenolic content of five International Humic Substance Society (IHSS) DOM samples vary from approximately 5 to 22 ppm Tannic Acid Equivalents (TAE) in phenol concentration. A five-component PARAFAC fit was applied to the EEMs of the IHSS sample dataset and it was determined by PARAFAC score correlations with phenol concentrations from the reagent-based method that components C1 (R2=0.78), C4 (R2=0.82), and C5 (R2=0.88) have the highest probability of containing phenolic groups. Furthermore, when the scores of components C4 and C5 were summed, the correlation improved (R2=0.99). Likewise, when the scores of C1, C4, and C5 were summed, their correlations were stronger than their individual parts (R2=0.89). Since the reagent-based method is providing an indicator of “total phenol” amount, regardless of the exact molecular structure of C1, C4, and C5, it seems reasonable that each of these components individually contributes a portion to the summed “total phenol” profile, and that the sum of their phenol-related spectral parts represents a larger portion of the “total phenol” index. However, when the sum of all five components were plotted against the reagent-based phenol concentrations, due to the considerable impact of largely non-phenolic components C2 (R2=0.23) and C3 (R2=0.35), the correlation was quite poor (or no correlation at all with R2=0.10). The results show the potential for PARAFAC analysis of multidimensional fluorescence data to be a tool for monitoring the phenolic content of DOM. Applications include assessing the potential for formation of disinfection byproducts in the treatment of drinking water and monitoring the impact of Climate Change on the phenolic character of DOM.

Toward understanding the role of individual fluorescent components in DOM-metal binding.

PubMed

Wu, Jun; Zhang, Hua; Yao, Qi-Sheng; Shao, Li-Ming; He, Pin-Jing

2012-05-15

Knowledge on the function of individual fractions in dissolved organic matter (DOM) is essential for understanding the impact of DOM on metal speciation and migration. Herein, fluorescence excitation-emission matrix quenching and parallel factor (PARAFAC) analysis were adopted for bulk DOM and chemically isolated fractions from landfill leachate, i.e., humic acids (HA), fulvic acids and hydrophilic (HyI) fraction, to elucidate the role of individual fluorescent components in metal binding (Cu(II) and Cd(II)). Three components were identified by PARAFAC model, including one humic substance (HS)-like, one protein-like and one component highly correlated with the HyI fraction. Among them, the HS-like and protein-like components were responsible for Cu(II) binding, while the protein-like component was the only fraction involved in Cd(II) complexation. It was further identified that the slight quenching effect of HA fraction by Cd(II) was induced by the presence of proteinaceous materials in HA. Fluorescent substances in the HyI fraction of landfill leachate did not play as important a role as HS did. Therefore, it was suggested that the potential risk of aged leachate (more humified) as a carrier of heavy metal should not be overlooked. Copyright © 2012 Elsevier B.V. All rights reserved.

Fluorescence excitation-emission matrix spectroscopy analysis of landfill leachate DOM in coagulation-flocculation process.

PubMed

Zhu, Guocheng; Wang, Chuang; Dong, Xingwei

2017-06-01

Landfill leachate contains a variety of organic matters, some of which can be excited and emit fluorescence signal. In order to degrade these organic matters, the pretreatment of the leachate is needed, which can improve the degradation performance of post-treatment process. Coagulation-flocculation is one of the important pretreatment processes to treat landfill leachate. Assessing the chemical compositions of landfill leachate is helpful in the understanding of their sources and fates as well as the mechanistic behaviors in the water environment. The present work aimed to use fluorescence excitation-emission matrix spectroscopy (EEMs) to characterize the chemical fractions of landfill leachate dissolved organic matter (DOM) in conjunction with parallel factor analysis (PARAFAC). Results showed that the DOM of landfill leachate tested in this study was identified resulting from microbial input, which included five typical characteristic peaks and four kinds of PARAFAC fractions. These fractions were mainly composed of hydrophobic macromolecule humic acid-like (HM-HA), hydrophilic intermediate molecular fulvic acid-like (HIM-FA), and hydrophilic small molecule protein-like substances (HSM-PS). HM-HA and HIM-FA were found to be easier to remove than HSM-PS. Further research on HSM-PS removal by coagulation-flocculation still needs to be improved.

New robust bilinear least squares method for the analysis of spectral-pH matrix data.

PubMed

Goicoechea, Héctor C; Olivieri, Alejandro C

2005-07-01

A new second-order multivariate method has been developed for the analysis of spectral-pH matrix data, based on a bilinear least-squares (BLLS) model achieving the second-order advantage and handling multiple calibration standards. A simulated Monte Carlo study of synthetic absorbance-pH data allowed comparison of the newly proposed BLLS methodology with constrained parallel factor analysis (PARAFAC) and with the combination multivariate curve resolution-alternating least-squares (MCR-ALS) technique under different conditions of sample-to-sample pH mismatch and analyte-background ratio. The results indicate an improved prediction ability for the new method. Experimental data generated by measuring absorption spectra of several calibration standards of ascorbic acid and samples of orange juice were subjected to second-order calibration analysis with PARAFAC, MCR-ALS, and the new BLLS method. The results indicate that the latter method provides the best analytical results in regard to analyte recovery in samples of complex composition requiring strict adherence to the second-order advantage. Linear dependencies appear when multivariate data are produced by using the pH or a reaction time as one of the data dimensions, posing a challenge to classical multivariate calibration models. The presently discussed algorithm is useful for these latter systems.

Characterization and spacial distribution variability of chromophoric dissolved organic matter (CDOM) in the Yangtze Estuary.

PubMed

Wang, Ying; Zhang, Di; Shen, Zhenyao; Chen, Jing; Feng, Chenghong

2014-01-01

The spatial characteristics and the quantity and quality of the chromophoric dissolved organic matter (CDOM) in the Yangtze Estuary, based on the abundance, degree of humification and sources, were studied using 3D fluorescence excitation emission matrix spectra (F-EEMs) with parallel factor and principal component analysis (PARAFAC-PCA). The results indicated that the CDOM abundance decreased and the aromaticity increased from the upstream to the downstream areas of the estuary. Higher CDOM abundance and degrees of humification were observed in the pore water than that in the surface and bottom waters. Two humic-like components (C1 and C3) and one tryptophan-like component (C2) were identified using the PARAFAC model. The separation of the samples by PCA highlighted the differences in the DOM properties. Components C1 and C3 concurrently displayed positive factor 1 loadings with nearly zero factor 2 loadings, while C2 showed highly positive factor 2 loadings. The C1 and C3 were very similar and exhibited a direct relationship with A355 and DOC. The CDOM in the pore water increased along the river to the coastal area, which was mainly influenced by C1 and C3 and was significantly derived from sediment remineralization and deposition from the inflow of the Yangtze River. The CDOM in the surface and bottom waters was dominated by C2, especially in the inflows of multiple tributaries that were affected by intensive anthropogenic activities. The microbial degradation of exogenous wastes from the tributary inputs and shoreside discharges were dominant sources of the CDOM in the surface and bottom waters. Copyright © 2013 Elsevier Ltd. All rights reserved.

Determination of polycyclic aromatic hydrocarbons by four-way parallel factor analysis in presence of humic acid.

PubMed

Yang, Ruifang; Zhao, Nanjing; Xiao, Xue; Yu, Shaohui; Liu, Jianguo; Liu, Wenqing

2016-01-05

There is not effective method to solve the quenching effect of quencher in fluorescence spectra measurement and recognition of polycyclic aromatic hydrocarbons in aquatic environment. In this work, a four-way dataset combined with four-way parallel factor analysis is used to identify and quantify polycyclic aromatic hydrocarbons in the presence of humic acid, a fluorescent quencher and an ubiquitous substance in aquatic system, through modeling the quenching effect of humic acid by decomposing the four-way dataset into four loading matrices corresponding to relative concentration, excitation spectra, emission spectra and fluorescence quantum yield, respectively. It is found that Phenanthrene, pyrene, anthracene and fluorene can be recognized simultaneously with the similarities all above 0.980 between resolved spectra and reference spectra. Moreover, the concentrations of them ranging from 0 to 8μgL(-1) in the test samples prepared with river water could also be predicted successfully with recovery rate of each polycyclic aromatic hydrocarbon between 100% and 120%, which were higher than those of three-way PARAFAC. These results demonstrate that the combination of four-way dataset with four-way parallel factor analysis could be a promising method to recognize the fluorescence spectra of polycyclic aromatic hydrocarbons in the presence of fluorescent quencher from both qualitative and quantitative perspective. Copyright © 2015 Elsevier B.V. All rights reserved.

Identification and quantification of carbamate pesticides in dried lime tree flowers by means of excitation-emission molecular fluorescence and parallel factor analysis when quenching effect exists.

PubMed

Rubio, L; Ortiz, M C; Sarabia, L A

2014-04-11

A non-separative, fast and inexpensive spectrofluorimetric method based on the second order calibration of excitation-emission fluorescence matrices (EEMs) was proposed for the determination of carbaryl, carbendazim and 1-naphthol in dried lime tree flowers. The trilinearity property of three-way data was used to handle the intrinsic fluorescence of lime flowers and the difference in the fluorescence intensity of each analyte. It also made possible to identify unequivocally each analyte. Trilinearity of the data tensor guarantees the uniqueness of the solution obtained through parallel factor analysis (PARAFAC), so the factors of the decomposition match up with the analytes. In addition, an experimental procedure was proposed to identify, with three-way data, the quenching effect produced by the fluorophores of the lime flowers. This procedure also enabled the selection of the adequate dilution of the lime flowers extract to minimize the quenching effect so the three analytes can be quantified. Finally, the analytes were determined using the standard addition method for a calibration whose standards were chosen with a D-optimal design. The three analytes were unequivocally identified by the correlation between the pure spectra and the PARAFAC excitation and emission spectral loadings. The trueness was established by the accuracy line "calculated concentration versus added concentration" in all cases. Better decision limit values (CCα), in x0=0 with the probability of false positive fixed at 0.05, were obtained for the calibration performed in pure solvent: 2.97 μg L(-1) for 1-naphthol, 3.74 μg L(-1) for carbaryl and 23.25 μg L(-1) for carbendazim. The CCα values for the second calibration carried out in matrix were 1.61, 4.34 and 51.75 μg L(-1) respectively; while the values obtained considering only the pure samples as calibration set were: 2.65, 8.61 and 28.7 μg L(-1), respectively. Copyright © 2014 Elsevier B.V. All rights reserved.

Experimental design for the optimization of the derivatization reaction in determining chlorophenols and chloroanisoles by headspace-solid-phase microextraction-gas chromatography/mass spectrometry.

PubMed

Morales, Rocío; Sarabia, Luis A; Sánchez, M Sagrario; Ortiz, M Cruz

2013-06-28

The paper shows some tools (its interpretation and usefulness) to optimize a derivatization reaction and to more easily interpret and visualize the effect that some experimental factors exert on several analytical responses of interest when these responses are in conflict. The entire proposed procedure has been applied in the optimization of equilibrium/extraction temperature and extraction time in the acetylation reaction of 2,4,6-trichlorophenol; 2,3,4,6-tetrachlorophenol, pentachlorophenol and 2,4,6-tribromophenol as internal standard (IS) in presence of 2,4,6-trichloroanisole, 2,3,5,6-tetrachloroanisole, pentachloroanisole and 2,4,6-trichloroanisole-d5 as IS. The procedure relies on the second order advantage of PARAFAC (parallel factor analysis) that allows the unequivocal identification and quantification, mandatory according international regulations (in this paper the EU document SANCO/12495/2011), of the acetyl-chlorophenols and chloroanisoles that are determined by means of a HS-SPME-GC/MS automated device. The joint use of a PARAFAC decomposition and a Doehlert design provides the data to fit a response surface for each analyte. With the fitted surfaces, the overall desirability function and the Pareto-optimal front are used to describe the relation between the conditions of the derivatization reaction and the quantity extracted of each analyte. The visualization by using a parallel coordinates plot allows a deeper knowledge about the problem at hand as well as the wise selection of the conditions of the experimental factors for achieving specific goals about the responses. In the optimal experimental conditions (45°C and 25min) the determination by means of an automated HS-SPME-GC/MS system is carried out. By using the regression line fitted between calculated and true concentrations, it has been checked that the procedure has neither proportional nor constant bias. The decision limits, CCa, for probability a of false positive set to 0.05, vary between 0.221 and 0.420µgL(-1). Copyright © 2013 Elsevier B.V. All rights reserved.

Evaluation of CDOM sources and their links with water quality in the lakes of Northeast China using fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Zhao, Ying; Song, Kaishan; Wen, Zhidan; Fang, Chong; Shang, Yingxin; Lv, Lili

2017-07-01

The spatial distributions of the fluorescence intensities Fmax for chromophoric dissolved organic matter (CDOM) components, the fluorescence indices (FI370 and FI310) and their correlations with water quality of 19 lakes in the Songhua River Basin (SHRB) across semiarid regions of Northeast China were examined with the data collected in September 2012 and 2015. The 19 lakes were divided into two groups according to EC (threshold value = 800 μS cm-1): fresh water (N = 13) and brackish water lakes (N = 6). The fluorescent characteristics of CDOM in the 19 lakes were investigated using excitation-emission matrix fluorescence spectroscopy (EEM) coupled with parallel factor (PARAFAC) and multivariate analysis. Two humic-like components (C1 and C3), one tryptophan-like component (C2), and one tyrosine-like component (C4) were identified by PARAFAC. The component C4 was not included in subsequent analyses due to the strong scatter in some colloidal water samples from brackish water lakes. The correlations between Fmax for the three EEM-PARAFAC extracted CDOM components C1-C3, the fluorescence indices (FI370 and FI310) and the water quality parameters (i.e., TN, TP, Chl-a, pH, EC, turbidity (Turb) and dissolved organic carbon (DOC)) were determined by redundancy analysis (RDA). The results of RDA analysis showed that spatial variation in land cover, pollution sources, and salinity/EC gradients in water quality affected Fmax for the fluorescent components C1-C3 and the fluorescence indices (FI370 and FI310). Further examination indicated that the CDOM fluorescent components and the fluorescence indices (FI370 and FI310) did not significantly differ (t-test, p > 0.05) in fresh water (N = 13) and brackish water lakes (N = 6). There was a difference in the distribution of the average Fmax for the CDOM fluorescent components between C1 to C3 from agricultural sources and urban wastewater sources in hypereutrophic brackish water lakes. The Fmax for humic-like components C1 and C3 spatially varied with land cover among the 19 lakes. Our results indicated that the spatial distributions of Fmax for CDOM fluorescent components and their correlations with water quality can be evaluated by EEM-PARAFAC and multivariate analysis among the 19 lakes across semiarid regions of Northeast China, which has potential implication for lakes with similar genesis.

Revealing Sources and Distribution Changes of Dissolved Organic Matter (DOM) in Pore Water of Sediment from the Yangtze Estuary

PubMed Central

Wang, Ying; Zhang, Di; Shen, Zhenyao; Feng, Chenghong; Chen, Jing

2013-01-01

Dissolved organic matter (DOM) in sediment pore waters from Yangtze estuary of China based on abundance, UV absorbance, molecular weight distribution and fluorescence were investigated using a combination of various parameters of DOM as well as 3D fluorescence excitation emission matrix spectra (F-EEMS) with the parallel factor and principal component analysis (PARAFAC-PCA). The results indicated that DOM in pore water of Yangtze estuary was very variable which mainly composed of low aromaticity and molecular weight materials. Three humic-like substances (C1, C2, C4) and one protein-like substance (C3) were identified by PARAFAC model. C1, C2 and C4 exhibited same trends and were very similar. The separation of samples on both axes of the PCA showed the difference in DOM properties. C1, C2 and C4 concurrently showed higher positive factor 1 loadings, while C3 showed highly positive factor 2 loadings. The PCA analysis showed a combination contribution of microbial DOM signal and terrestrial DOM signal in the Yangtze estuary. Higher and more variable DOM abundance, aromaticity and molecular weight of surface sediment pore water DOM can be found in the southern nearshore than the other regions primarily due to the influence of frequent and intensive human activities and tributaries inflow in this area. The DOM abundance, aromaticity, molecular weight and fluorescence intensity in core of different depth were relative constant and increased gradually with depth. DOM in core was mainly composed of humic-like material, which was due to higher release of the sedimentary organic material into the porewater during early diagenesis. PMID:24155904

Seasonal Variation in the Quality of Dissolved and Particulate Organic Matter Exchanged Between a Salt Marsh and Its Adjacent Estuary

NASA Astrophysics Data System (ADS)

Osburn, C. L.; Mikan, M.; Etheridge, J. R.; Burchell, M. R.; Birgand, F.

2015-12-01

Salt marshes are transitional ecosystems between terrestrial and marine environments. Along with mangroves and other vegetated coastal habitats, salt marshes rank among the most productive ecosystems on Earth, with critical global importance for the planet's carbon cycle. Fluorescence was used to examine the quality of dissolved and particulate organic matter (DOM and POM) exchanging between a tidal creek in a created salt marsh and its adjacent estuary in eastern North Carolina, USA. Samples from the creek were collected hourly over four tidal cycles in May, July, August, and October of 2011. Absorbance and fluorescence of chromophoric DOM (CDOM) and of base-extracted POM (BEPOM) served as the tracers for organic matter quality while dissolved organic carbon (DOC) and base-extracted particulate organic carbon (BEPOC) were used to compute fluxes. Fluorescence was modeled using parallel factor analysis (PARAFAC) and principle components analysis (PCA) of the PARAFAC results. Of nine PARAFAC components modeled, we used multiple linear regression to identify tracers for recalcitrant DOM; labile soil-derived source DOM; detrital POM; and planktonic POM. Based on mass balance, recalcitrant DOC export was 86 g C m-2 yr-1 and labile DOC export was 49 g C m-2 yr-1. The marsh also exported 41 g C m-2 yr-1 of detrital terrestrial POC, which likely originated from lands adjacent to the North River estuary. Planktonic POC export from the marsh was 6 g C m-2 yr-1. Using the DOM and POM quality results obtained via fluorescence measurements and scaling up to global salt marsh area, we estimated that the potential release of CO2 from the respiration of salt marsh DOC and POC transported to estuaries could be 11 Tg C yr-1, roughly 4% of the recently estimated CO2 release for marshes and estuaries globally.

What can be found in scalp EEG spectrum beyond common frequency bands. EEG-fMRI study

NASA Astrophysics Data System (ADS)

Marecek, R.; Lamos, M.; Mikl, M.; Barton, M.; Fajkus, J.; I, Rektor; Brazdil, M.

2016-08-01

Objective. The scalp EEG spectrum is a frequently used marker of neural activity. Commonly, the preprocessing of EEG utilizes constraints, e.g. dealing with a predefined subset of electrodes or a predefined frequency band of interest. Such treatment of the EEG spectrum neglects the fact that particular neural processes may be reflected in several frequency bands and/or several electrodes concurrently, and can overlook the complexity of the structure of the EEG spectrum. Approach. We showed that the EEG spectrum structure can be described by parallel factor analysis (PARAFAC), a method which blindly uncovers the spatial-temporal-spectral patterns of EEG. We used an algorithm based on variational Bayesian statistics to reveal nine patterns from the EEG of 38 healthy subjects, acquired during a semantic decision task. The patterns reflected neural activity synchronized across theta, alpha, beta and gamma bands and spread over many electrodes, as well as various EEG artifacts. Main results. Specifically, one of the patterns showed significant correlation with the stimuli timing. The correlation was higher when compared to commonly used models of neural activity (power fluctuations in distinct frequency band averaged across a subset of electrodes) and we found significantly correlated hemodynamic fluctuations in simultaneously acquired fMRI data in regions known to be involved in speech processing. Further, we show that the pattern also occurs in EEG data which were acquired outside the MR machine. Two other patterns reflected brain rhythms linked to the attentional and basal ganglia large scale networks. The other patterns were related to various EEG artifacts. Significance. These results show that PARAFAC blindly identifies neural activity in the EEG spectrum and that it naturally handles the correlations among frequency bands and electrodes. We conclude that PARAFAC seems to be a powerful tool for analysis of the EEG spectrum and might bring novel insight to the relationships between EEG activity and brain hemodynamics.

Suitability of Organic Matter Surrogates to Predict Trihalomethane Formation in Drinking Water Sources

PubMed Central

Pifer, Ashley D.; Fairey, Julian L.

2014-01-01

Abstract Broadly applicable disinfection by-product (DBP) precursor surrogate parameters could be leveraged at drinking water treatment plants (DWTPs) to curb formation of regulated DBPs, such as trihalomethanes (THMs). In this study, dissolved organic carbon (DOC), ultraviolet absorbance at 254 nm (UV254), fluorescence excitation/emission wavelength pairs (IEx/Em), and the maximum fluorescence intensities (FMAX) of components from parallel factor (PARAFAC) analysis were evaluated as total THM formation potential (TTHMFP) precursor surrogate parameters. A diverse set of source waters from eleven DWTPs located within watersheds underlain by six different soil orders were coagulated with alum at pH 6, 7, and 8, resulting in 44 sample waters. DOC, UV254, IEx/Em, and FMAX values were measured to characterize dissolved organic matter in raw and treated waters and THMs were quantified following formation potential tests with free chlorine. For the 44 sample waters, the linear TTHMFP correlation with UV254 was stronger (r2=0.89) than I240/562 (r2=0.81, the strongest surrogate parameter from excitation/emission matrix pair picking), FMAX from a humic/fulvic acid-like PARAFAC component (r2=0.78), and DOC (r2=0.75). Results indicate that UV254 was the most accurate TTHMFP precursor surrogate parameter assessed for a diverse group of raw and alum-coagulated waters. PMID:24669183

Fluorescence quenching effects of antibiotics on the main components of dissolved organic matter.

PubMed

Yan, Peng-Fei; Hu, Zhen-Hu; Yu, Han-Qing; Li, Wei-Hua; Liu, Li

2016-03-01

Dissolved organic matter (DOM) in wastewater can be characterized using fluorescence excitation-emission matrix and parallel factor (EEM-PARAFAC) analysis. Wastewater from animal farms or pharmaceutical plants usually contains high concentration of antibiotics. In this study, the quenching effect of antibiotics on the typical components of DOM was explored using fluorescence EEM-PARAFAC analysis. Four antibiotics (roxarsone, sulfaquinoxaline sodium, oxytetracycline, and erythromycin) at the concentration of 0.5∼4.0 mg/L and three typical components of DOM (tyrosine, tryptophan, and humic acid) were selected. Fluorescence quenching effects were observed with the addition of antibiotics. Among these four antibiotics, roxarsone (2.9∼20.2 %), sulfaquinoxaline sodium (0∼32.0 %), and oxytetracycline (0∼41.8 %) led to a stronger quenching effect than erythromycin (0∼8.0 %). From the side of DOM, tyrosine and tryptophan (0.5∼41.8 %) exhibited a similar quenching effect, but they were higher than humic acids (0∼20.2 %) at the same concentration of antibiotics. For humic acid, a significant quenching effect was observed only with the addition of roxarsone. This might be the first report about the fluorescence quenching effect caused by antibiotics. The results from this study confirmed the interference of antibiotics on the fluorescence intensity of the main components of DOM and highlighted the importance of correcting fluorescence data in the wastewater containing antibiotics.

Changes in dissolved organic matter quality in a northern hardwood forest revealed by excitation emission spectroscopy

NASA Astrophysics Data System (ADS)

Saraceno, J.; Shanley, J. B.; Pellerin, B. A.; Hansen, A. M.

2016-12-01

Changes in dissolved organic matter (DOM) quality may result from unusual and extreme precipitation patterns such as floods and droughts. In order to study DOM quality changes, we collected several hundred surface water samples during the past eight years from the W-9 watershed of the Sleepers River Research Watershed in Danville, Vermont for optical analysis of dissolved organic matter. We present the results of parallel factor (PARAFAC) and principal component analysis (PCA) on excitation emission matrices (EEMs). This analysis revealed that peaks T, C and M as identified by PARAFAC were the most prominent EEM features. The intensity of these peaks varied on inter-annual, seasonal and event time periods and these shifts reflect changes in DOM quality. Likely drivers of this variability in DOM chemistry are seasonal shifts in flow paths, antecedent moisture conditions, and precipitation duration and intensity. For example, during events, the relative proportion of protein-like, peak T fluorophores increased, likely from flushing of fresh polyphenols from surficial and shallow flow paths. During the winter, when groundwater dominates flow, EEMs were strong in humic-like peak C and peak M fluorophores, reflecting deeper soil sources and longer flow paths. Our analyses will reveal how DOM quality responds to climatic drivers, and thus how we can expect DOM quality to evolve under projected climate change scenarios.

Speciation and Sources of Brown Carbon in Precipitation at Seoul, Korea: Insights from Excitation-Emission Matrix Spectroscopy and Carbon Isotopic Analysis.

PubMed

Yan, Ge; Kim, Guebuem

2017-10-17

Brown carbon (BrC) plays a significant role in the Earth's radiative balance, yet its sources and chemical composition remain poorly understood. In this work, we investigated BrC in the atmospheric environment of Seoul by characterizing dissolved organic matter in precipitation using excitation-emission matrix (EEM) fluorescence spectroscopy coupled with parallel factor analysis (PARAFAC). The two independent fluorescent components identified by PARAFAC were attributed to humic-like substance (HULIS) and biologically derived material based on their significant correlations with measured HULIS isolated using solid-phase extraction and total hydrolyzable tyrosine. The year-long observation shows that HULIS contributes to 66 ± 13% of total fluorescence intensity of our samples on average. By using dual carbon ( 13 C and 14 C) isotopic analysis conducted on isolated HULIS, the HULIS fraction of BrC was found to be primarily derived from biomass burning and emission of terrestrial biogenic gases and particles (>70%), with minor contributions from fossil-fuel combustion. The knowledge derived from this study could contribute to the establishment of a characterizing system of BrC components identified by EEM spectroscopy. Our work demonstrates that, EEM fluorescence spectroscopy is a powerful tool in BrC study, on the basis of its chromophore resolving power, allowing investigation into individual components of BrC by other organic matter characterization techniques.

New approach for rapid assessment of trophic status of Yellow Sea and East China Sea using easy-to-measure parameters

NASA Astrophysics Data System (ADS)

Kong, Xianyu; Liu, Yanfang; Jian, Huimin; Su, Rongguo; Yao, Qingzhen; Shi, Xiaoyong

2017-10-01

To realize potential cost savings in coastal monitoring programs and provide timely advice for marine management, there is an urgent need for efficient evaluation tools based on easily measured variables for the rapid and timely assessment of estuarine and offshore eutrophication. In this study, using parallel factor analysis (PARAFAC), principal component analysis (PCA), and discriminant function analysis (DFA) with the trophic index (TRIX) for reference, we developed an approach for rapidly assessing the eutrophication status of coastal waters using easy-to-measure parameters, including chromophoric dissolved organic matter (CDOM), fluorescence excitation-emission matrices, CDOM UV-Vis absorbance, and other water-quality parameters (turbidity, chlorophyll a, and dissolved oxygen). First, we decomposed CDOM excitation-emission matrices (EEMs) by PARAFAC to identify three components. Then, we applied PCA to simplify the complexity of the relationships between the water-quality parameters. Finally, we used the PCA score values as independent variables in DFA to develop a eutrophication assessment model. The developed model yielded classification accuracy rates of 97.1%, 80.5%, 90.3%, and 89.1% for good, moderate, and poor water qualities, and for the overall data sets, respectively. Our results suggest that these easy-to-measure parameters could be used to develop a simple approach for rapid in-situ assessment and monitoring of the eutrophication of estuarine and offshore areas.

[Characterization of Chromophoric dissolved organic matter (CDOM) in Zhoushan fishery using excitation-emission matrix spectroscopy (EEMs) and parallel factor analysis (PARAFAC)].

PubMed

Zhou, Qian-qian; Su, Rong-guo; Bai, Ying; Zhang, Chuan-song; Shi, Xiao-yong

2015-01-01

The composition, distribution characteristics and sources of chromophoric dissolved organic matter(CDOM) in Zhoushan Fishery in spring were evaluated by fluorescence excitation-emission matrix (EEM) combined with parallel factor analysis (EEMs-PARAFAC). Three humic-like components [C1 (330/420 nm)], C2 [(290) 365/440 nm] and C3 [(260) 370/490 nm)] and two protein-like components [C4(285/340 nm) and C5 (270/310 nm)] were identified by EEMs-PARAFAC. The horizontal distribution patterns of the five components were almost the same with only slight differences, showing decreasing trends with increasing distance from shore. In the surface and middle layers, the high value areas were located in the north of Hangzhou Bay estuary and the outlet of Xiazhimen channel, and the former's was higher in the surface layer while the latter's was higher in the middle layer. In the bottom layer, CDOM decreased gradiently from the inshore to offshore, with higher CDOM near Zhoushan Island. The distributions of fluorescence components showed an opposite trend with salinity, and no significant linear relationship with Chl-a concentration was found, which indicated that CDOM in the surface and middle layers were dominated by terrestrial input and human activities of Zhoushan Island and that of the bottom layer was attribute to human activities of Zhoushan Island. The vertical distribution of five fluorescent components along 30.5 degrees N transect showed a decreasing trend from the surface and middle layers to bottom layer with high values in inshore and offshore areas, which were correlated with the lower salinity and higher Chl-a concentration, respectively. On this transect, CDOM was mainly affected by Yangtze River input in coastal area but by bioactivities in offshore waters. Along the 30 degrees N transect, the vertical distribution patterns of CDOM were similar to those of 30.5 degrees N transect but there was a high value area in the bottom layer near the shore, attributing to the CDOM release from the marine sediment pore water to the water body because of physical force role like tidal, the underlying upwelling and so on. A strong correlation occurred between C1 and C3, C4, indicating that they had similar sources; a weak correlation was found between C1 and C2, C5, reflecting some differences among their sources. CDOM in Zhoushan Fishery in spring had low humification index (HIX) values, which reflected a low degree of humification, poor stability and a short resident time in the environment. For biological index (BIX), its higher values appeared in the offshore waters and the lower values occurred in the inshore area, reflecting a greater influence of human and biological activities, respectively.

An Exact Model-Based Method for Near-Field Sources Localization with Bistatic MIMO System.

PubMed

Singh, Parth Raj; Wang, Yide; Chargé, Pascal

2017-03-30

In this paper, we propose an exact model-based method for near-field sources localization with a bistatic multiple input, multiple output (MIMO) radar system, and compare it with an approximated model-based method. The aim of this paper is to propose an efficient way to use the exact model of the received signals of near-field sources in order to eliminate the systematic error introduced by the use of approximated model in most existing near-field sources localization techniques. The proposed method uses parallel factor (PARAFAC) decomposition to deal with the exact model. Thanks to the exact model, the proposed method has better precision and resolution than the compared approximated model-based method. The simulation results show the performance of the proposed method.

A new approach for SSVEP detection using PARAFAC and canonical correlation analysis.

PubMed

Tello, Richard; Pouryazdian, Saeed; Ferreira, Andre; Beheshti, Soosan; Krishnan, Sridhar; Bastos, Teodiano

2015-01-01

This paper presents a new way for automatic detection of SSVEPs through correlation analysis between tensor models. 3-way EEG tensor of channel × frequency × time is decomposed into constituting factor matrices using PARAFAC model. PARAFAC analysis of EEG tensor enables us to decompose multichannel EEG into constituting temporal, spectral and spatial signatures. SSVEPs characterized with localized spectral and spatial signatures are then detected exploiting a correlation analysis between extracted signatures of the EEG tensor and the corresponding simulated signatures of all target SSVEP signals. The SSVEP that has the highest correlation is selected as the intended target. Two flickers blinking at 8 and 13 Hz were used as visual stimuli and the detection was performed based on data packets of 1 second without overlapping. Five subjects participated in the experiments and the highest classification rate of 83.34% was achieved, leading to the Information Transfer Rate (ITR) of 21.01 bits/min.

Effects of sampling methods on the quantity and quality of dissolved organic matter in sediment pore waters as revealed by absorption and fluorescence spectroscopy.

PubMed

Chen, Meilian; Lee, Jong-Hyeon; Hur, Jin

2015-10-01

Despite literature evidence suggesting the importance of sampling methods on the properties of sediment pore waters, their effects on the dissolved organic matter (PW-DOM) have been unexplored to date. Here, we compared the effects of two commonly used sampling methods (i.e., centrifuge and Rhizon sampler) on the characteristics of PW-DOM for the first time. The bulk dissolved organic carbon (DOC), ultraviolet-visible (UV-Vis) absorption, and excitation-emission matrixes coupled with parallel factor analysis (EEM-PARAFAC) of the PW-DOM samples were compared for the two sampling methods with the sediments from minimal to severely contaminated sites. The centrifuged samples were found to have higher average values of DOC, UV absorption, and protein-like EEM-PARAFAC components. The samples collected with the Rhizon sampler, however, exhibited generally more humified characteristics than the centrifuged ones, implying a preferential collection of PW-DOM with respect to the sampling methods. Furthermore, the differences between the two sampling methods seem more pronounced in relatively more polluted sites. Our observations were possibly explained by either the filtration effect resulting from the smaller pore size of the Rhizon sampler or the desorption of DOM molecules loosely bound to minerals during centrifugation, or both. Our study suggests that consistent use of one sampling method is crucial for PW-DOM studies and also that caution should be taken in the comparison of data collected with different sampling methods.

Spectroscopic characterization of dissolved organic matter in coking wastewater during bio-treatment: full-scale plant study.

PubMed

Xu, Ronghua; Ou, Huase; Yu, Xubiao; He, Runsheng; Lin, Chong; Wei, Chaohai

2015-01-01

This paper taking a full-scale coking wastewater (CWW) treatment plant as a case study aimed to characterize removal behaviors of dissolved organic matter (DOM) by UV spectra and fluorescence excitation-emission matrix-parallel factor analysis (PARAFAC), and investigate the correlations between spectroscopic indices and water quality parameters. Efficient removal rates of chemical oxygen demand (COD), dissolved organic carbon (DOC) and total nitrogen (TN) after the bio-treatment were 91.3%, 87.3% and 69.1%, respectively. UV270 was proven to be a stable UV absorption peak of CWW that could reflect the mixture of phenols, heterocyclics, polynuclear aromatic hydrocarbons and their derivatives. Molecular weight and aromaticity were increased, and also the content of polar functional groups was greatly reduced after bio-treatment. Three fluorescent components were identified by PARAFAC: C1 (tyrosine-like), C2 (tryptophan-like) and C3 (humic-like). The removal rate of protein-like was higher than that of humic-like and C1 was identified as biodegradable substance. Correlation analysis showed UV270 had an excellent correlation with COD (r=0.921, n=60, P<0.01) and DOC (r=0.959, n=60, P<0.01) and significant correlation (r=0.875, n=60, P<0.01) was also found between C2 and TN. Therefore, spectroscopic characterization could provide novel insights into removal behaviors of DOM and potential to monitor water quality real-time during CWW bio-treatment.

Spatial and seasonal variations in the composition of dissolved organic matter in a tropical catchment: the Lower Kinabatangan River, Sabah, Malaysia.

PubMed

Harun, Sahana; Baker, Andy; Bradley, Chris; Pinay, Gilles

2016-01-01

Dissolved organic matter (DOM) was characterised in water samples sampled in the Lower Kinabatangan River Catchment, Sabah, Malaysia between October 2009 and May 2010. This study aims at: (i) distinguishing between the quality of DOM in waters draining palm oil plantations (OP), secondary forests (SF) and coastal swamps (CS) and, (ii) identifying the seasonal variability of DOM quantity and quality. Surface waters were sampled during fieldwork campaigns that spanned the wet and dry seasons. DOM was characterised optically by using the fluorescence Excitation Emission Matrix (EEM), the absorption coefficient at 340 nm and the spectral slope coefficient (S). Parallel Factor Analysis (PARAFAC) was undertaken to assess the DOM composition from EEM spectra and five terrestrial derived components were identified: (C1, C2, C3, C4 and C5). Components C1 and C4 contributed the most to DOM fluorescence in all study areas during both the wet and dry seasons. The results suggest that component C4 could be a significant (and common) PARAFAC signal found in similar catchments. Peak M (C2 and C3) was dominant in all samples collected during wet and dry seasons, which could be anthropogenic in origin given the active land use change in the study area. In conclusion, there were significant seasonal and spatial variations in DOM which demonstrated the effects of land use cover and precipitation amounts in the Kinabatangan catchment.

Tensorial extensions of independent component analysis for multisubject FMRI analysis.

PubMed

Beckmann, C F; Smith, S M

2005-03-01

We discuss model-free analysis of multisubject or multisession FMRI data by extending the single-session probabilistic independent component analysis model (PICA; Beckmann and Smith, 2004. IEEE Trans. on Medical Imaging, 23 (2) 137-152) to higher dimensions. This results in a three-way decomposition that represents the different signals and artefacts present in the data in terms of their temporal, spatial, and subject-dependent variations. The technique is derived from and compared with parallel factor analysis (PARAFAC; Harshman and Lundy, 1984. In Research methods for multimode data analysis, chapter 5, pages 122-215. Praeger, New York). Using simulated data as well as data from multisession and multisubject FMRI studies we demonstrate that the tensor PICA approach is able to efficiently and accurately extract signals of interest in the spatial, temporal, and subject/session domain. The final decompositions improve upon PARAFAC results in terms of greater accuracy, reduced interference between the different estimated sources (reduced cross-talk), robustness (against deviations of the data from modeling assumptions and against overfitting), and computational speed. On real FMRI 'activation' data, the tensor PICA approach is able to extract plausible activation maps, time courses, and session/subject modes as well as provide a rich description of additional processes of interest such as image artefacts or secondary activation patterns. The resulting data decomposition gives simple and useful representations of multisubject/multisession FMRI data that can aid the interpretation and optimization of group FMRI studies beyond what can be achieved using model-based analysis techniques.

UV-induced photochemical heterogeneity of dissolved and attached organic matter associated with cyanobacterial blooms in a eutrophic freshwater lake.

PubMed

Xu, Huacheng; Jiang, Helong

2013-11-01

Cyanobacterial blooms represent a significant ecological and human health problem worldwide. In aquatic environments, cyanobacterial blooms are actually surrounded by dissolved organic matter (DOM) and attached organic matter (AOM) that bind with algal cells. In this study, DOM and AOM fractionated from blooming cyanobacteria in a eutrophic freshwater lake (Lake Taihu, China) were irradiated with a polychromatic UV lamp, and the photochemical heterogeneity was investigated using fluorescence excitation-emission matrix (EEM)-parallel factor (PARAFAC) analysis and synchronous fluorescence (SF)-two dimensional correlation spectroscopy (2DCOS). It was shown that a 6-day UV irradiation caused more pronounced mineralization for DOM than AOM (59.7% vs. 41.9%). The EEM-PARAFAC analysis identified one tyrosine-, one humic-, and two tryptophan-like components in both DOM and AOM, and high component photodegradation rates were observed for DOM versus AOM (k > 0.554 vs. <0.519). Moreover, SF-2DCOS found that the photodegradation of organic matters followed the sequence of tyrosine-like > humic-like > tryptophan-like substances. Humic-like substances promoted the indirect photochemical reactions, and were responsible for the higher photochemical rate for DOM. The lower photodegradation of AOM benefited the integrality of cells in cyanobacterial blooms against the negative impact of UV irradiation. Therefore, the photochemical behavior of organic matter was related to the adaptation of enhanced-duration cyanobacterial blooms in aquatic environments. Copyright © 2013 Elsevier Ltd. All rights reserved.

Joint estimation of 2D-DOA and frequency based on space-time matrix and conformal array.

PubMed

Wan, Liang-Tian; Liu, Lu-Tao; Si, Wei-Jian; Tian, Zuo-Xi

2013-01-01

Each element in the conformal array has a different pattern, which leads to the performance deterioration of the conventional high resolution direction-of-arrival (DOA) algorithms. In this paper, a joint frequency and two-dimension DOA (2D-DOA) estimation algorithm for conformal array are proposed. The delay correlation function is used to suppress noise. Both spatial and time sampling are utilized to construct the spatial-time matrix. The frequency and 2D-DOA estimation are accomplished based on parallel factor (PARAFAC) analysis without spectral peak searching and parameter pairing. The proposed algorithm needs only four guiding elements with precise positions to estimate frequency and 2D-DOA. Other instrumental elements can be arranged flexibly on the surface of the carrier. Simulation results demonstrate the effectiveness of the proposed algorithm.

Dissolved organic matter dynamics in surface waters affected by oil spill pollution: Results from the Serious Game exercise

NASA Astrophysics Data System (ADS)

Gonnelli, M.; Galletti, Y.; Marchetti, E.; Mercadante, L.; Retelletti Brogi, S.; Ribotti, A.; Sorgente, R.; Vestri, S.; Santinelli, C.

2016-11-01

Dissolved organic carbon (DOC), chromophoric and fluorescent dissolved organic matter (CDOM and FDOM, respectively) surface distribution was studied during the Serious Game exercise carried out in the Eastern Ligurian Sea, where an oil spill was localized by using satellite images and models. This paper reports the first DOC, CDOM and FDOM data for this area together with an evaluation of fluorescence as a fast and inexpensive tool for early oil spill detection in marine waters. The samples collected in the oil spill showed a fluorescence intensity markedly higher ( 5 fold) than all the other samples. The excitation-emission matrixes, coupled with parallel factor analysis (PARAFAC), allowed for the identification in the FDOM pool of a mixture of polycyclic aromatic hydrocarbons, humic-like and protein-like fluorophores.

A 21 000-year record of fluorescent organic matter markers in the WAIS Divide ice core

NASA Astrophysics Data System (ADS)

D'Andrilli, Juliana; Foreman, Christine M.; Sigl, Michael; Priscu, John C.; McConnell, Joseph R.

2017-05-01

Englacial ice contains a significant reservoir of organic material (OM), preserving a chronological record of materials from Earth's past. Here, we investigate if OM composition surveys in ice core research can provide paleoecological information on the dynamic nature of our Earth through time. Temporal trends in OM composition from the early Holocene extending back to the Last Glacial Maximum (LGM) of the West Antarctic Ice Sheet Divide (WD) ice core were measured by fluorescence spectroscopy. Multivariate parallel factor (PARAFAC) analysis is widely used to isolate the chemical components that best describe the observed variation across three-dimensional fluorescence spectroscopy (excitation-emission matrices; EEMs) assays. Fluorescent OM markers identified by PARAFAC modeling of the EEMs from the LGM (27.0-18.0 kyr BP; before present 1950) through the last deglaciation (LD; 18.0-11.5 kyr BP), to the mid-Holocene (11.5-6.0 kyr BP) provided evidence of different types of fluorescent OM composition and origin in the WD ice core over 21.0 kyr. Low excitation-emission wavelength fluorescent PARAFAC component one (C1), associated with chemical species similar to simple lignin phenols was the greatest contributor throughout the ice core, suggesting a strong signature of terrestrial OM in all climate periods. The component two (C2) OM marker, encompassed distinct variability in the ice core describing chemical species similar to tannin- and phenylalanine-like material. Component three (C3), associated with humic-like terrestrial material further resistant to biodegradation, was only characteristic of the Holocene, suggesting that more complex organic polymers such as lignins or tannins may be an ecological marker of warmer climates. We suggest that fluorescent OM markers observed during the LGM were the result of greater continental dust loading of lignin precursor (monolignol) material in a drier climate, with lower marine influences when sea ice extent was higher and continents had more expansive tundra cover. As the climate warmed, the record of OM markers in the WD ice core changed, reflecting shifts in carbon productivity as a result of global ecosystem response.

Humic like substances for the treatment of scarcely soluble pollutants by mild photo-Fenton process.

PubMed

Caram, Bruno; García-Ballesteros, Sara; Santos-Juanes, Lucas; Arques, Antonio; García-Einschlag, Fernando S

2018-05-01

Humic-like substances (HLS) extracted from urban wastes have been tested as auxiliaries for the photo-Fenton removal of thiabendazole (TBZ) under simulated sunlight. Experimental design methodology based on Doehlert matrices was employed to check the effects of hydrogen peroxide concentration, HLS amount as well as TBZ loading; this last parameter was studied in the range 25-100 mg/L, to include values below and above the limit of solubility at pH = 5. Very satisfactory results were reached when TBZ was above solubility if HLS and H 2 O 2 amounts were high. This could be attributed to an interaction of HLS-TBZ that enhances the solubility of the pollutant. Additional evidence supporting the latter interaction was obtained by fluorescence measurements (excitation emission matrices) and parallel factor analysis (PARAFAC). Copyright © 2018 Elsevier Ltd. All rights reserved.

Characterization of DOM adsorption of CNTs by using excitation-emission matrix fluorescence spectroscopy and multiway analysis.

PubMed

Peng, Mingguo; Li, Huajie; Li, Dongdong; Du, Erdeng; Li, Zhihong

2017-06-01

Carbon nanotubes (CNTs) were utilized to adsorb DOM in micro-polluted water. The characteristics of DOM adsorption on CNTs were investigated based on UV 254 , TOC, and fluorescence spectrum measurements. Based on PARAFAC (parallel factor) analysis, four fluorescent components were extracted, including one protein-like component (C4) and three humic acid-like components (C1, C2, and C3). The adsorption isotherms, kinetics, and thermodynamics of DOM adsorption on CNTs were further investigated. A Freundlich isotherm model fit the adsorption data well with high values of correlation. As a type of macro-porous and meso-porous adsorbent, CNTs preferably adsorb humic acid-like substances rather than protein-like substances. The increasing temperature will speed up the adsorption process. The self-organizing map (SOM) analysis further explains the fluorescent properties of water samples. The results provide a new insight into the adsorption behaviour of DOM fluorescent components on CNTs.

Fluorescence excitation-emission matrix (EEM) spectroscopy and cavity ring-down (CRD) absorption spectroscopy of oil-contaminated jet fuel using fiber-optic probes.

PubMed

Omrani, Hengameh; Barnes, Jack A; Dudelzak, Alexander E; Loock, Hans-Peter; Waechter, Helen

2012-06-21

Excitation emission matrix (EEM) and cavity ring-down (CRD) spectral signatures have been used to detect and quantitatively assess contamination of jet fuels with aero-turbine lubricating oil. The EEM spectrometer has been fiber-coupled to permit in situ measurements of jet turbine oil contamination of jet fuel. Parallel Factor (PARAFAC) analysis as well as Principal Component Analysis and Regression (PCA/PCR) were used to quantify oil contamination in a range from the limit of detection (10 ppm) to 1000 ppm. Fiber-loop cavity ring-down spectroscopy using a pulsed 355 nm laser was used to quantify the oil contamination in the range of 400 ppm to 100,000 ppm. Both methods in combination therefore permit the detection of oil contamination with a linear dynamic range of about 10,000.

Neural networks for dimensionality reduction of fluorescence spectra and prediction of drinking water disinfection by-products.

PubMed

Peleato, Nicolas M; Legge, Raymond L; Andrews, Robert C

2018-06-01

The use of fluorescence data coupled with neural networks for improved predictability of drinking water disinfection by-products (DBPs) was investigated. Novel application of autoencoders to process high-dimensional fluorescence data was related to common dimensionality reduction techniques of parallel factors analysis (PARAFAC) and principal component analysis (PCA). The proposed method was assessed based on component interpretability as well as for prediction of organic matter reactivity to formation of DBPs. Optimal prediction accuracies on a validation dataset were observed with an autoencoder-neural network approach or by utilizing the full spectrum without pre-processing. Latent representation by an autoencoder appeared to mitigate overfitting when compared to other methods. Although DBP prediction error was minimized by other pre-processing techniques, PARAFAC yielded interpretable components which resemble fluorescence expected from individual organic fluorophores. Through analysis of the network weights, fluorescence regions associated with DBP formation can be identified, representing a potential method to distinguish reactivity between fluorophore groupings. However, distinct results due to the applied dimensionality reduction approaches were observed, dictating a need for considering the role of data pre-processing in the interpretability of the results. In comparison to common organic measures currently used for DBP formation prediction, fluorescence was shown to improve prediction accuracies, with improvements to DBP prediction best realized when appropriate pre-processing and regression techniques were applied. The results of this study show promise for the potential application of neural networks to best utilize fluorescence EEM data for prediction of organic matter reactivity. Copyright © 2018 Elsevier Ltd. All rights reserved.

A green chemometrics-assisted fluorimetric detection method for the direct and simultaneous determination of six polycyclic aromatic hydrocarbons in oil-field wastewaters

NASA Astrophysics Data System (ADS)

Gu, Hui-Wen; Zhang, Shan-Hui; Wu, Bai-Chun; Chen, Wu; Wang, Jing-Bo; Liu, Yang

2018-07-01

Oil-field wastewaters contain high level of polycyclic aromatic hydrocarbons (PAHs), which have to be analyzed to assess the environmental effects before discharge. In this work, a green fluorimetric detection method that combines excitation-emission matrix (EEM) fluorescence with parallel factor analysis (PARAFAC) algorithm was firstly developed to achieve the direct and simultaneous determination of six U.S. EPA PAHs in two different kinds of complex oil-field wastewaters. Due to the distinctive "second-order advantage", neither time-consuming sample pretreatments nor toxic organic reagents were involved in the determination. By using the environment-friendly "mathematical separation" of PARAFAC, satisfactory quantitative results and reasonable spectral profiles for six PAHs were successfully extracted from the total EEM signals of oil-field wastewaters without need of chromatographic separation. The limits of detection of six PAHs were in the range of 0.09-0.72 ng mL-1, and the average spiked recoveries were between (89.4 ± 4.8)% and (109.1 ± 5.8)%, with average relative predictive errors <2.93%. In order to further confirm the accuracy of the proposed method, the same batch oil-field wastewater samples were analyzed by the recognized GC-MS method. t-test demonstrated that no significant differences exist between the quantitative results of the two methods. Given the advantages of green, fast, low-cost and high-sensitivity, the proposed method is expected to be broadened as an appealing alternative method for multi-residue analysis of overlapped PAHs in complex wastewater samples.

Distinguishing dissolved organic matter at its origin: size and optical properties of leaf-litter leachates.

PubMed

Cuss, C W; Guéguen, C

2013-09-01

Dissolved organic matter (DOM) was leached from eight distinct samples of leaves taken from six distinct trees (red maple, bur oak at three times of the year, two sugar maple and two white spruce trees from disparate soil types). Multiple samples were taken over 72-96h of leaching. The size and optical properties of leachates were assessed using asymmetrical flow field-flow fractionation (AF4) coupled to diode-array ultraviolet/visible absorbance and excitation-emission matrix fluorescence detectors (EEM). The fluorescence of unfractionated samples was also analyzed. EEMs were analyzed using parallel factor analysis (PARAFAC) and principal component analysis (PCA) of proportional component loadings. Both the unfractionated and AF4-fractionated leachates had distinct size and optical properties. The 95% confidence ranges for molecular weight distributions were determined as: 210-440Da for spruce, 540-920Da for sugar maple, 630-800Da for spring oak leaves, 930-950Da for senescent oak, 1490-1670 for senescent red maple, and 3430-4270Da for oak leaves that were collected from the ground after spring thaw. In most cases the fluorescence properties of leachates were different for individuals from different soil types and across seasons; however, PCA of PARAFAC loadings revealed that the observed distinctiveness was chiefly species-based. Strong correlations were found between the molecular weight distribution of both unfractionated and fractionated leachates and their principal component loadings (R(2)=0.85 and 0.95, respectively). It is concluded that results support a species-based origin for differences in optical properties. Copyright © 2013 Elsevier Ltd. All rights reserved.

Differentiation of cumin seeds using a metal-oxide based gas sensor array in tandem with chemometric tools.

PubMed

Ghasemi-Varnamkhasti, Mahdi; Amiri, Zahra Safari; Tohidi, Mojtaba; Dowlati, Majid; Mohtasebi, Seyed Saeid; Silva, Adenilton C; Fernandes, David D S; Araujo, Mário C U

2018-01-01

Cumin is a plant of the Apiaceae family (umbelliferae) which has been used since ancient times as a medicinal plant and as a spice. The difference in the percentage of aromatic compounds in cumin obtained from different locations has led to differentiation of some species of cumin from other species. The quality and price of cumin vary according to the specie and may be an incentive for the adulteration of high value samples with low quality cultivars. An electronic nose simulates the human olfactory sense by using an array of sensors to distinguish complex smells. This makes it an alternative for the identification and classification of cumin species. The data, however, may have a complex structure, difficult to interpret. Given this, chemometric tools can be used to manipulate data with two-dimensional structure (sensor responses in time) obtained by using electronic nose sensors. In this study, an electronic nose based on eight metal oxide semiconductor sensors (MOS) and 2D-LDA (two-dimensional linear discriminant analysis), U-PLS-DA (Partial least square discriminant analysis applied to the unfolded data) and PARAFAC-LDA (Parallel factor analysis with linear discriminant analysis) algorithms were used in order to identify and classify different varieties of both cultivated and wild black caraway and cumin. The proposed methodology presented a correct classification rate of 87.1% for PARAFAC-LDA and 100% for 2D-LDA and U-PLS-DA, indicating a promising strategy for the classification different varieties of cumin, caraway and other seeds. Copyright © 2017 Elsevier B.V. All rights reserved.

Feasibility of the determination of polycyclic aromatic hydrocarbons in edible oils via unfolded partial least-squares/residual bilinearization and parallel factor analysis of fluorescence excitation emission matrices.

PubMed

Alarcón, Francis; Báez, María E; Bravo, Manuel; Richter, Pablo; Escandar, Graciela M; Olivieri, Alejandro C; Fuentes, Edwar

2013-01-15

The possibility of simultaneously determining seven concerned heavy polycyclic aromatic hydrocarbons (PAHs) of the US-EPA priority pollutant list, in extra virgin olive and sunflower oils was examined using unfolded partial least-squares with residual bilinearization (U-PLS/RBL) and parallel factor analysis (PARAFAC). Both of these methods were applied to fluorescence excitation emission matrices. The compounds studied were benzo[a]anthracene, benzo[b]fluoranthene, benzo[k]fluoranthene, benzo[a]pyrene, dibenz[a,h]anthracene, benzo[g,h,i]perylene and indeno[1,2,3-c,d]-pyrene. The analysis was performed using fluorescence spectroscopy after a microwave assisted liquid-liquid extraction and solid-phase extraction on silica. The U-PLS/RBL algorithm exhibited the best performance for resolving the heavy PAH mixture in the presence of both the highly complex oil matrix and other unpredicted PAHs of the US-EPA list. The obtained limit of detection for the proposed method ranged from 0.07 to 2 μg kg(-1). The predicted U-PLS/RBL concentrations were satisfactorily compared with those obtained using high-performance liquid chromatography with fluorescence detection. A simple analysis with a considerable reduction in time and solvent consumption in comparison with chromatography are the principal advantages of the proposed method. Copyright © 2012 Elsevier B.V. All rights reserved.

Insights into the interaction between carbamazepine and natural dissolved organic matter in the Yangtze Estuary using fluorescence excitation-emission matrix spectra coupled with parallel factor analysis.

PubMed

Wang, Ying; Zhang, Manman; Fu, Jun; Li, Tingting; Wang, Jinggang; Fu, Yingyu

2016-10-01

The interaction between carbamazepine (CBZ) and dissolved organic matter (DOM) from three zones (the nearshore, the river channel, and the coastal areas) in the Yangtze Estuary was investigated using fluorescence quenching titration combined with excitation emission matrix spectra and parallel factor analysis (PARAFAC). The complexation between CBZ and DOM was demonstrated by the increase in hydrogen bonding and the disappearance of the C=O stretch obtained from the Fourier transform infrared spectroscopy analysis. The results indicated that two protein-like substances (component 2 and component3) and two humic-like substances (component 1 and 4) were identified in the DOM from the Yangtze Estuary. The fluorescence quenching curves of each component with the addition of CBZ and the Ryan and Weber model calculation results both demonstrated that the different components exhibited different complexation activities with CBZ. The protein-like components had a stronger affinity with CBZ than did the humic-like substances. On the other hand, the autochthonous tyrosine-like C2 played an important role in the complexation with DOM from the river channel and coastal areas, while C3 influenced by anthropogenic activities showed an obvious effect in the nearshore area. DOMs from the river channel have the highest binding capacity for CBZ, which may ascribe to the relatively high phenol content group in the DOM.

Characterising Event-Based DOM Inputs to an Urban Watershed

NASA Astrophysics Data System (ADS)

Croghan, D.; Bradley, C.; Hannah, D. M.; Van Loon, A.; Sadler, J. P.

2017-12-01

Dissolved Organic Matter (DOM) composition in urban streams is dominated by terrestrial inputs after rainfall events. Urban streams have particularly strong terrestrial-riverine connections due to direct input from terrestrial drainage systems. Event driven DOM inputs can have substantial adverse effects on water quality. Despite this, DOM from important catchment sources such as road drains and Combined Sewage Overflows (CSO's) remains poorly characterised within urban watersheds. We studied DOM sources within an urbanised, headwater watershed in Birmingham, UK. Samples from terrestrial sources (roads, roofs and a CSO), were collected manually after the onset of rainfall events of varying magnitude, and again within 24-hrs of the event ending. Terrestrial samples were analysed for fluorescence, absorbance and Dissolved Organic Carbon (DOC) concentration. Fluorescence and absorbance indices were calculated, and Parallel Factor Analysis (PARAFAC) was undertaken to aid sample characterization. Substantial differences in fluorescence, absorbance, and DOC were observed between source types. PARAFAC-derived components linked to organic pollutants were generally highest within road derived samples, whilst humic-like components tended to be highest within roof samples. Samples taken from the CSO generally contained low fluorescence, however this likely represents a dilution effect. Variation within source groups was particularly high, and local land use seemed to be the driving factor for road and roof drain DOM character and DOC quantity. Furthermore, high variation in fluorescence, absorbance and DOC was apparent between all sources depending on event type. Drier antecedent conditions in particular were linked to greater presence of terrestrially-derived components and higher DOC content. Our study indicates that high variations in DOM character occur between source types, and over small spatial scales. Road drains located on main roads appear to contain the poorest quality DOM of the sources studied due to the presence of hydrocarbons. In order to prevent storm-derived DOM degradation of water quality of urban streams, greater knowledge of links between these drainage sources, and their pathways to streams is required.

Depth-dependent variations of sedimentary dissolved organic matter composition in a eutrophic lake: Implications for lake restoration.

PubMed

Xu, Huacheng; Guo, Laodong; Jiang, Helong

2016-02-01

Dissolved organic matter (DOM) plays a significant role in regulating nutrients and carbon cycling and the reactivity of trace metals and other contaminants in the environment. However, the environmental/ecological role of sedimentary DOM is highly dependent on organic composition. In this study, fluorescence excitation emission matrix-parallel factor (EEM-PARAFAC) analysis, two dimensional correlation spectroscopy (2D-COS), and ultrahigh resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) were applied to investigate the depth-dependent variations of sediment-leached DOM components in a eutrophic lake. Results of EEM-PARAFAC and 2D-COS showed that fluorescent humic-like component was preferentially degraded microbially over fulvic-like component at greater sediment depths, and the relative abundance of non-fluorescent components decreased with increasing depth, leaving the removal rate of carbohydrates > lignins. The predominant sedimentary DOM components derived from FT-ICR-MS were lipids (>50%), followed by lignins (∼15%) and proteins (∼15%). The relative abundance of carbohydrates, lignins, and condensed aromatics decreased significantly at greater depths, whereas that of lipids increased in general with depth. There existed a significant negative correlation between the short-range ordered (SRO) minerals and the total dissolved organic carbon concentration or the relative contents of lignins and condensed aromatics (p < 0.05), suggesting that SRO mineral sorption plays a significant role in controlling the composition heterogeneity and releasing of DOM in lake sediments. Higher metal binding potential observed for DOM at deeper sediment depth (e.g., 25-30 cm) supported the ecological safety of sediment dredging technique from the viewpoint of heavy metal de-toxicity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Characteristics and fate of natural organic matter during UV oxidation processes.

PubMed

Ahn, Yongtae; Lee, Doorae; Kwon, Minhwan; Choi, Il-Hwan; Nam, Seong-Nam; Kang, Joon-Wun

2017-10-01

Advanced oxidation processes (AOPs) are widely used in water treatments. During oxidation processes, natural organic matter (NOM) is modified and broken down into smaller compounds that affect the characteristics of the oxidized NOM by AOPs. In this study, NOM was characterized and monitored in the UV/hydrogen peroxide (H 2 O 2 ) and UV/persulfate (PS) processes using a liquid chromatography-organic carbon detector (LC-OCD) technique, and a combination of excitation-emission matrices (EEM) and parallel factor analysis (PARAFAC). The percentages of mineralization of NOM in the UV/H 2 O 2 and UV/PS processes were 20.5 and 83.3%, respectively, with a 10 mM oxidant dose and a contact time of 174 s (UV dose: approximately 30,000 mJ). Low-pressure, Hg UV lamp (254 nm) was applied in this experiment. The steady-state concentration of SO 4 - was 38-fold higher than that of OH at an oxidant dose of 10 mM. With para-chlorobenzoic acid (pCBA) as a radical probe compound, we experimentally determined the rate constants of Suwannee River NOM (SRNOM) with OH (k OH/NOM  = 3.3 × 10 8  M -1 s -1 ) and SO 4 - (k SO4-/NOM  = 4.55 × 10 6  M -1 s -1 ). The hydroxyl radical and sulfate radical showed different mineralization pathways of NOM, which have been verified by the use of LC-OCD and EEM/PARAFAC. Consequently, higher steady-state concentrations of SO 4 - , and different reaction preferences of OH and SO 4 - with the NOM constituent had an effect on the mineralization efficiency. Copyright © 2017 Elsevier Ltd. All rights reserved.

Cation-induced coagulation of aquatic plant-derived dissolved organic matter: Investigation by EEM-PARAFAC and FT-IR spectroscopy.

PubMed

Liu, Shasha; Zhu, Yuanrong; Liu, Leizhen; He, Zhongqi; Giesy, John P; Bai, Yingchen; Sun, Fuhong; Wu, Fengchang

2018-03-01

Complexation and coagulation of plant-derived dissolved organic matter (DOM) by metal cations are important biogeochemical processes of organic matter in aquatic systems. Thus, coagulation and fractionation of DOM derived from aquatic plants by Ca(II), Al(III), and Fe(III) ions were investigated. Metal ion-induced removal of DOM was determined by analyzing dissolved organic carbon in supernatants after addition of these metal cations individually. After additions of metal ions, both dissolved and coagulated organic fractions were characterized by use of fluorescence excitation emission matrix-parallel factor (EEM-PARAFAC) analysis and Fourier transform infrared (FT-IR) spectroscopy. Addition of Ca(II), Fe(III) or Al(III) resulted in net removal of aquatic plant-derived DOM. Efficiencies of removal of DOM by Fe(III) or Al(III) were greater than that by Ca(II). However, capacities to remove plant-derived DOM by the three metals were less than which had been previously reported for humic materials. Molecular and structural features of plant-derived DOM fractions in associations with metal cations were characterized by changes in fluorescent components and infrared absorption peaks. Both aromatic and carboxylic-like organic matters could be removed by Ca(II), Al(III) or Fe(III) ions. Whereas organic matters containing amides were preferentially removed by Ca(II), and phenolic materials were selectively removed by Fe(III) or Al(III). These observations indicated that plant-derived DOM might have a long-lasting effect on water quality and organisms due to its poor coagulation with metal cations in aquatic ecosystems. Plant-derived DOM is of different character than natural organic matter and it is not advisable to attempt removal through addition of metal salts during treatment of sewage. Copyright © 2017 Elsevier Ltd. All rights reserved.

Chemodiversity of dissolved organic matter in the Amazon Basin

NASA Astrophysics Data System (ADS)

Gonsior, Michael; Valle, Juliana; Schmitt-Kopplin, Philippe; Hertkorn, Norbert; Bastviken, David; Luek, Jenna; Harir, Mourad; Bastos, Wanderley; Enrich-Prast, Alex

2016-07-01

Regions in the Amazon Basin have been associated with specific biogeochemical processes, but a detailed chemical classification of the abundant and ubiquitous dissolved organic matter (DOM), beyond specific indicator compounds and bulk measurements, has not yet been established. We sampled water from different locations in the Negro, Madeira/Jamari and Tapajós River areas to characterize the molecular DOM composition and distribution. Ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) combined with excitation emission matrix (EEM) fluorescence spectroscopy and parallel factor analysis (PARAFAC) revealed a large proportion of ubiquitous DOM but also unique area-specific molecular signatures. Unique to the DOM of the Rio Negro area was the large abundance of high molecular weight, diverse hydrogen-deficient and highly oxidized molecular ions deviating from known lignin or tannin compositions, indicating substantial oxidative processing of these ultimately plant-derived polyphenols indicative of these black waters. In contrast, unique signatures in the Madeira/Jamari area were defined by presumably labile sulfur- and nitrogen-containing molecules in this white water river system. Waters from the Tapajós main stem did not show any substantial unique molecular signatures relative to those present in the Rio Madeira and Rio Negro, which implied a lower organic molecular complexity in this clear water tributary, even after mixing with the main stem of the Amazon River. Beside ubiquitous DOM at average H / C and O / C elemental ratios, a distinct and significant unique DOM pool prevailed in the black, white and clear water areas that were also highly correlated with EEM-PARAFAC components and define the frameworks for primary production and other aspects of aquatic life.

Spatial Variations of DOM Compositions in the River with Multi-functional Weir

NASA Astrophysics Data System (ADS)

Yoon, S. M.; Choi, J. H.

2017-12-01

With the global trend to construct artificial impoundments over the last decades, there was a Large River Restoration Project conducted in South Korea from 2010 to 2011. The project included enlargement of river channel capacity and construction of multi-functional weirs, which can alter the hydrological flow of the river and cause spatial variations of water quality indicators, especially DOM (Dissolved Organic Matter) compositions. In order to analyze the spatial variations of organic matter, water samples were collected longitudinally (5 points upstream from the weir), horizontally (left, center, right at each point) and vertically (1m interval at each point). The specific UV-visible absorbance (SUVA) and fluorescence excitation-emission matrices (EEMs) have been used as rapid and non-destructive analytical methods for DOM compositions. In addition, parallel factor analysis (PARAFAC) has adopted for extracting a set of representative fluorescence components from EEMs. It was assumed that autochthonous DOM would be dominant near the weir due to the stagnation of hydrological flow. However, the results showed that the values of fluorescence index (FI) were 1.29-1.47, less than 2, indicating DOM of allochthonous origin dominated in the water near the weir. PARAFAC analysis also showed the peak at 450 nm of emission and < 250 nm of excitation which represented the humic substances group with terrestrial origins. There was no significant difference in the values of Biological index (BIX), however, values of humification index (HIX) spatially increased toward the weir. From the results of the water sample analysis, the river with multi-functional weir is influenced by the allochthonous DOM instead of autochthonous DOM and seems to accumulate humic substances near the weir.

Does Litter Impart A Detectable Chemical Signal on Soil DOC? DOC Fluorescence Signatures in Soils Undergoing Long-Term Litter Manipulations

NASA Astrophysics Data System (ADS)

Lajtha, K.; Strid, A.; Lee, B. S.

2015-12-01

Soil dissolved organic carbon (DOC) is a small but crucial part of the forest carbon cycle. Characterizing the relationship between organic matter inputs to soil and DOC chemistry is crucial to understanding the ultimate fate of root carbon, fallen wood and needles. Chemical differences in the DOC pool may help to explain whether fractions are sorbed to mineral surfaces and contribute to accumulation of soil organic carbon, respired as CO2, or exported. Soil solution DOC was sampled from the detrital input and removal treatment (DIRT) plots located in the H.J. Andrews Experimental Forest, OR to determine whether detrital inputs impart a detectable signal on DOC in mineral soil. Multiple types of fresh litter extracts, along with lysimeter and soil extracts from DIRT treatment plots were characterized using UV-Vis and fluorescence spectroscopy coupled with the Cory and McKnight (2005) parallel factor analysis (PARAFAC) model. Principal component analysis of 13 unique fluorophores distinguished using PARAFAC show that litter and soil extracts (needles, wood of decomposition Class 1, Class 3 and Class 5, O-horizon, and A-horizon) each have distinct fluorescence signatures. However, while litter-leached DOC chemistry varies by litter type, neither lysimeter-collected DOC or soil extracts show statistically significant differences in fluorescence signatures among treatments, even after 17 years of litter manipulations. The lack of observed differences among DIRT treatments suggests a "Soil Blender" hypothesis whereby both abiotic and biotic mechanisms effectively homogenize organic carbon constituents within the dissolved pool. The results of this work emphasize the ability of sorption and biodegradation to homogenize soil DOC and demonstrate that fluorescence can be an effective fingerprinting technique for soil DOC composition.

Sulfites and the wine metabolome.

PubMed

Roullier-Gall, Chloé; Hemmler, Daniel; Gonsior, Michael; Li, Yan; Nikolantonaki, Maria; Aron, Alissa; Coelho, Christian; Gougeon, Régis D; Schmitt-Kopplin, Philippe

2017-12-15

In a context of societal concern about food preservation, the reduction of sulfite input plays a major role in the wine industry. To improve the understanding of the chemistry involved in the SO 2 protection, a series of bottle aged Chardonnay wines made from the same must, but with different concentrations of SO 2 added at pressing were analyzed by ultrahigh resolution mass spectrometry (FT-ICR-MS) and excitation emission matrix fluorescence (EEMF). Metabolic fingerprints from FT-ICR-MS data could discriminate wines according to the added concentration to the must but they also revealed chemistry-related differences according to the type of stopper, providing a wine metabolomics picture of the impact of distinct stopping strategies. Spearman rank correlation was applied to link the statistically modeled EEMF components (parallel factor analysis (PARAFAC)) and the exact mass information from FT-ICR-MS, and thus revealing the extent of sulfur-containing compounds which could show some correlation with fluorescence fingerprints. Copyright © 2017 Elsevier Ltd. All rights reserved.

Partial least-squares with residual bilinearization for the spectrofluorimetric determination of pesticides. A solution of the problems of inner-filter effects and matrix interferents.

PubMed

Piccirilli, Gisela N; Escandar, Graciela M

2006-09-01

This paper demonstrates for the first time the power of a chemometric second-order algorithm for predicting, in a simple way and using spectrofluorimetric data, the concentration of analytes in the presence of both the inner-filter effect and unsuspected species. The simultaneous determination of the systemic fungicides carbendazim and thiabendazole was achieved and employed for the discussion of the scopes of the applied second-order chemometric tools: parallel factor analysis (PARAFAC) and partial least-squares with residual bilinearization (PLS/RBL). The chemometric study was performed using fluorescence excitation-emission matrices obtained after the extraction of the analytes over a C18-membrane surface. The ability of PLS/RBL to recognize and overcome the significant changes produced by thiabendazole in both the excitation and emission spectra of carbendazim is demonstrated. The high performance of the selected PLS/RBL method was established with the determination of both pesticides in artificial and real samples.

Rapid fingerprinting of spilled petroleum products using fluorescence spectroscopy coupled with parallel factor and principal component analysis.

PubMed

Mirnaghi, Fatemeh S; Soucy, Nicholas; Hollebone, Bruce P; Brown, Carl E

2018-05-19

The characterization of spilled petroleum products in an oil spill is necessary for identifying the spill source, selection of clean-up strategies, and evaluating potential environmental and ecological impacts. Existing standard methods for the chemical characterization of spilled oils are time-consuming due to the lengthy sample preparation for analysis. The main objective of this study is the development of a rapid screening method for the fingerprinting of spilled petroleum products using excitation/emission matrix (EEM) fluorescence spectroscopy, thereby delivering a preliminary evaluation of the petroleum products within hours after a spill. In addition, the developed model can be used for monitoring the changes of aromatic compositions of known spilled oils over time. This study involves establishing a fingerprinting model based on the composition of polycyclic and heterocyclic aromatic hydrocarbons (PAH and HAHs, respectively) of 130 petroleum products at different states of evaporative weathering. The screening model was developed using parallel factor analysis (PARAFAC) of a large EEM dataset. The significant fluorescing components for each sample class were determined. After which, through principal component analysis (PCA), the variation of scores of their modeled factors was discriminated based on the different classes of petroleum products. This model was then validated using gas chromatography-mass spectrometry (GC-MS) analysis. The rapid fingerprinting and the identification of unknown and new spilled oils occurs through matching the spilled product with the products of the developed model. Finally, it was shown that HAH compounds in asphaltene and resins contribute to ≥4-ring PAHs compounds in petroleum products. Copyright © 2018. Published by Elsevier Ltd.

Exploring the potential of DOC fluorescence as proxy for groundwater contamination by pesticides

NASA Astrophysics Data System (ADS)

Farlin, Julien; Gallé, Tom; Bayerle, Michael; Pittois, Denis; Huck, viola

2017-04-01

Of the different water quality surrogates the fluorescence of dissolved organic content (FDOC) appears particularly promising due to its sensitivity and specificity. A complete spectrum of FDOC can be obtained using bench top instruments scanning a spectral space going from short wavelength UV to visible blue, yielding a so-called an excitation-emission matrix (EEM). The raw EEM can be either used directly for correlation analysis with the variable of interest, or first decomposed into underlying elements corresponding to different groups of organic compounds displaying similar properties using multiway techniques such as Parallel factor analysis (PARAFAC). Fluorescence spectroscopy has up to now only rarely been applied specifically to groundwater environments. The objective of the project was to explore systematically the possibilities offered by FDOC and PARAFAC for the assessment of groundwater contamination by pesticides, taking into account the transit time from the pesticide source to the groundwater outlet. Three sites corresponding to different transit times were sampled: -one spring regularly contaminated by surface water from a nearby stream (sub-daily to daily response to fast-flow generating storm events) -one spring displaying a weekly to monthly response to interflow -sampling along a flowline consisting of a series of springs and an observation well situated upgradient with mean transit times difference of several years Preliminary results show that a three component PARAFAC model is sufficient to decompose the raw EEMs, which is less than the seven or eight component models often encountered in surface water studies. For the first site, one component in the protein-like region 275(excitation)/310 (emission) nm measured in the stream samples was filtrered completely by the aquifer and did not appear in the spring samples. The other two components followed roughly the trend of the DOC and pesticide breakthrough. For the second site, soil sampling of the agricultural plots and DOC extraction also allowed to characterise the spectral signature of the pollution source. A humic-like component (250/450 nm) was correlated with the breakthrough of recent soil water and pesticide concentration. Lastly, the fluorescence intensity of the different components for the third sampling site showed a decrease proportional to the decrease in DOC concentration between the observation well and the springs caused either by dilution, degradation or both. This lack of change in the spectral pattern along a flow line seems to indicate that labile soil DOC fractions have already been degraded by the time water reaches the observation well.

Correction: Humic-like substances from urban waste as auxiliaries for photo-Fenton treatment: a fluorescence EEM-PARAFAC study.

PubMed

García Ballesteros, S; Costante, M; Vicente, R; Mora, M; Amat, A M; Arques, A; Carlos, L; García Einschlag, F S

2018-06-13

Correction for 'Humic-like substances from urban waste as auxiliaries for photo-Fenton treatment: a fluorescence EEM-PARAFAC study' by S. García Ballesteros et al., Photochem. Photobiol. Sci., 2017, 16, 38-45.

The partitioning behavior of persistent toxicant organic contaminants in eutrophic sediments: Coefficients and effects of fluorescent organic matter and particle size.

PubMed

He, Wei; Yang, Chen; Liu, Wenxiu; He, Qishuang; Wang, Qingmei; Li, Yilong; Kong, Xiangzhen; Lan, Xinyu; Xu, Fuliu

2016-12-01

In the shallow lakes, the partitioning of organic contaminants into the water phase from the solid phase might pose a potential hazard to both benthic and planktonic organisms, which would further damage aquatic ecosystems. This study determined the concentrations of polycyclic aromatic hydrocarbons (PAHs), organochlorine pesticides (OCPs), and phthalate esters (PAEs) in both the sediment and the pore water from Lake Chaohu and calculated the sediment - pore water partition coefficient (K D ) and the organic carbon normalized sediment - pore water partition coefficient (K OC ), and explored the effects of particle size, organic matter content, and parallel factor fluorescent organic matter (PARAFAC-FOM) on K D . The results showed that log K D values of PAHs (2.61-3.94) and OCPs (1.75-3.05) were significantly lower than that of PAEs (4.13-5.05) (p < 0.05). The chemicals were ranked by log K OC as follows: PAEs (6.05-6.94) > PAHs (4.61-5.86) > OCPs (3.62-4.97). A modified MCI model can predict K OC values in a range of log 1.5 at a higher frequency, especially for PAEs. The significantly positive correlation between K OC and the octanol - water partition coefficient (K OW ) were observed for PAHs and OCPs. However, significant correlation was found for PAEs only when excluding PAEs with lower K OW . Sediments with smaller particle sizes (clay and silt) and their organic matter would affect distributions of PAHs and OCPs between the sediment and the pore water. Protein-like fluorescent organic matter (C2) was associated with the K D of PAEs. Furthermore, the partitioning of PARAFAC-FOM between the sediment and the pore water could potentially affect the distribution of organic pollutants. The partitioning mechanism of PAEs between the sediment and the pore water might be different from that of PAHs and OCPs, as indicated by their associations with influencing factors and K OW . Copyright © 2016 Elsevier Ltd. All rights reserved.

Spatiotemporal Distribution, Sources, and Photobleaching Imprint of Dissolved Organic Matter in the Yangtze Estuary and Its Adjacent Sea Using Fluorescence and Parallel Factor Analysis

PubMed Central

Li, Penghui; Chen, Ling; Zhang, Wen; Huang, Qinghui

2015-01-01

To investigate the seasonal and interannual dynamics of dissolved organic matter (DOM) in the Yangtze Estuary, surface and bottom water samples in the Yangtze Estuary and its adjacent sea were collected and characterized using fluorescence excitation-emission matrices (EEMs) and parallel factor analysis (PARAFAC) in both dry and wet seasons in 2012 and 2013. Two protein-like components and three humic-like components were identified. Three humic-like components decreased linearly with increasing salinity (r>0.90, p<0.001), suggesting their distribution could primarily be controlled by physical mixing. By contrast, two protein-like components fell below the theoretical mixing line, largely due to microbial degradation and removal during mixing. Higher concentrations of humic-like components found in 2012 could be attributed to higher freshwater discharge relative to 2013. There was a lack of systematic patterns for three humic-like components between seasons and years, probably due to variations of other factors such as sources and characteristics. Highest concentrations of fluorescent components, observed in estuarine turbidity maximum (ETM) region, could be attributed to sediment resuspension and subsequent release of DOM, supported by higher concentrations of fluorescent components in bottom water than in surface water at two stations where sediments probably resuspended. Meanwhile, photobleaching could be reflected from the changes in the ratios between fluorescence intensity (Fmax) of humic-like components and chromophoric DOM (CDOM) absorption coefficient (a355) along the salinity gradient. This study demonstrates the abundance and composition of DOM in estuaries are controlled not only by hydrological conditions, but also by its sources, characteristics and related estuarine biogeochemical processes. PMID:26107640

Trace Norm Regularized CANDECOMP/PARAFAC Decomposition With Missing Data.

PubMed

Liu, Yuanyuan; Shang, Fanhua; Jiao, Licheng; Cheng, James; Cheng, Hong

2015-11-01

In recent years, low-rank tensor completion (LRTC) problems have received a significant amount of attention in computer vision, data mining, and signal processing. The existing trace norm minimization algorithms for iteratively solving LRTC problems involve multiple singular value decompositions of very large matrices at each iteration. Therefore, they suffer from high computational cost. In this paper, we propose a novel trace norm regularized CANDECOMP/PARAFAC decomposition (TNCP) method for simultaneous tensor decomposition and completion. We first formulate a factor matrix rank minimization model by deducing the relation between the rank of each factor matrix and the mode- n rank of a tensor. Then, we introduce a tractable relaxation of our rank function, and then achieve a convex combination problem of much smaller-scale matrix trace norm minimization. Finally, we develop an efficient algorithm based on alternating direction method of multipliers to solve our problem. The promising experimental results on synthetic and real-world data validate the effectiveness of our TNCP method. Moreover, TNCP is significantly faster than the state-of-the-art methods and scales to larger problems.

Insight into the heterogeneous adsorption of humic acid fluorescent components on multi-walled carbon nanotubes by excitation-emission matrix and parallel factor analysis.

PubMed

Yang, Chenghu; Liu, Yangzhi; Cen, Qiulin; Zhu, Yaxian; Zhang, Yong

2018-02-01

The heterogeneous adsorption behavior of commercial humic acid (HA) on pristine and functionalized multi-walled carbon nanotubes (MWCNTs) was investigated by fluorescence excitation-emission matrix and parallel factor (EEM- PARAFAC) analysis. The kinetics, isotherms, thermodynamics and mechanisms of adsorption of HA fluorescent components onto MWCNTs were the focus of the present study. Three humic-like fluorescent components were distinguished, including one carboxylic-like fluorophore C1 (λ ex /λ em = (250, 310) nm/428nm), and two phenolic-like fluorophores, C2 (λ ex /λ em = (300, 460) nm/552nm) and C3 (λ ex /λ em = (270, 375) nm/520nm). The Lagergren pseudo-second-order model can be used to describe the adsorption kinetics of the HA fluorescent components. In addition, both the Freundlich and Langmuir models can be suitably employed to describe the adsorption of the HA fluorescent components onto MWCNTs with significantly high correlation coefficients (R 2 > 0.94, P< 0.05). The dissimilarity in the adsorption affinity (K d ) and nonlinear adsorption degree from the HA fluorescent components to MWCNTs was clearly observed. The adsorption mechanism suggested that the π-π electron donor-acceptor (EDA) interaction played an important role in the interaction between HA fluorescent components and the three MWCNTs. Furthermore, the values of the thermodynamic parameters, including the Gibbs free energy change (ΔG°), enthalpy change (ΔH°) and entropy change (ΔS°), showed that the adsorption of the HA fluorescent components on MWCNTs was spontaneous and exothermic. Copyright © 2017 Elsevier Inc. All rights reserved.

Similarities in Photodegradation of Cyanobacteria-Derived and Marine Fluorescent Dissolved Organic Matter

NASA Astrophysics Data System (ADS)

Ianiri, H. L.; Timko, S.; Gonsior, M.

2016-02-01

Marine dissolved organic matter (DOM) is one of the largest reduced carbon reservoirs on Earth, yet we only have a limited understanding of its production, cycling, degradation, and overall structure. It was previously believed that a significant portion of refractory dissolved organic carbon (RDOC) in the ocean was derived from terrestrial sources, however recent studies indicated that the majority of marine DOM might be produced in situ by marine biota. Previous research has found that terrestrial and microbial DOM fluorescent signatures are similar, complicating the identification of the origins of marine fluorescent DOM (FDOM). However, photodegradation kinetics of terrestrial and microbial-derived DOM are expected to be different due to their assumed different chemical compositions. In this study we analyzed for the first time the photodegradation kinetics of microbial-derived DOM originating from different cyanobacteria strains. Cyanobacterial-derived DOM were exposed to simulated sunlight for a total of 20 hours while recording excitation emission matrix (EEM) fluorescence every twenty minutes to observe the photodegradation of this specific FDOM. Parallel Factor Analysis (PARAFAC) was applied to deconvolute the EEM matrices into six separate components. The photodegradation kinetics was then calculated for each component and compared with previously obtained photodegradation data of marine and terrestrial FDOM. This six component PARAFAC model was similar to those generated from open ocean data and global DOM data sets. The "humic-like" FDOM was also found in cyanobacteria FDOM and showed similar fluorescence intensities and percent fluorescence loss when compared to marine DOM. The degradation kinetics of the "humic-like" component of microbial-derived DOM was faster than that of terrestrial-derived DOM, and marine FDOM samples showed degradation kinetics more similar to microbial-derived FDOM. This indicates marine FDOM is more similar in chemical composition to microbial-derived FDOM than terrestrial-derived FDOM, supporting the hypothesis that the majority of marine FDOM is produced in situ.

Hydrological Controls on Dissolved Organic Matter Quality and Export in a Coastal River System in Southeastern USA

NASA Astrophysics Data System (ADS)

Bhattacharya, R.; Osburn, C. L.

2017-12-01

Dissolved organic matter (DOM) exported from river catchments can influence the biogeochemical processes in coastal environments with implications for water quality and carbon budget. High flow conditions are responsible for most DOM export ("pulses") from watersheds, and these events reduce DOM transformation and production by "shunting" DOM from river networks into coastal waters: the Pulse-Shunt Concept (PSC). Subsequently, the source and quality of DOM is also expected to change as a function of river flow. Here, we used stream dissolved organic carbon concentrations ([DOC]) along with DOM optical properties, such as absorbance at 350 nm (a350) and fluorescence excitation and emission matrices modeled by parallel factor analysis (PARAFAC), to characterize DOM source, quality and fluxes under variable flow conditions for the Neuse River, a coastal river system in the southeastern US. Observations were made at a flow gauged station above head of tide periodically between Aug 2011 and Feb 2013, which captured low flow periods in summer and several high flow events including Hurricane Irene. [DOC] and a350 were correlated and varied positively with river flow, implying that a large portion of the DOM was colored, humic and flow-mobilized. During high flow conditions, PARAFAC results demonstrated the higher influx of terrestrial humic DOM, and lower in-stream phytoplankton production or microbial degradation. However, during low flow, DOM transformation and production increased in response to higher residence times and elevated productivity. Further, 70% of the DOC was exported by above average flows, where 3-4 fold increases in DOC fluxes were observed during episodic events, consistent with PSC. These results imply that storms dramatically affects DOM export to coastal waters, whereby high river flow caused by episodic events primarily shunt terrestrial DOM to coastal waters, whereas low flow promotes in-stream DOM transformation and amendment with microbial DOM.

Caracterisation of anthropogenic contribution to the coastal fluorescent organic matter

NASA Astrophysics Data System (ADS)

El Nahhal, Ibrahim; Nouhi, Ayoub; Mounier, Stéphane

2015-04-01

It is known that most of the coastal fluorescent organic matter is of a terrestrial origin (Parlanti, 2000; Tedetti, Guigue, & Goutx, 2010). However, the contribution of the anthropogenic organic matter to this pool is not well defined and evaluated. In this work the monitoring of little bay (Toulon Bay, France) was done in the way to determine the organic fluorescent response during a winter period. The sampling campaign consisted of different days during the month of December, 2014 ( 12th, 15th, 17th, 19th) on 21 different sampling sites for the fluorescence measurements (without any filtering of the samples) and the whole month of December for the bacterial and the turbidity measurements. Excitation Emission Matrices (EEMs) of fluorescence (from 200 to 400 nm and 220 to 420 nm excitation and emission range) were treated by parallel factor analysis (PARAFAC).The parafac analysis of the EEM datasets was conducted using PROGMEEF software in Matlab langage. On the same time that the turbidity and bacterial measurement (particularly the E.Coli concentration) were determined. The results gives in a short time range, information on the the contribution of the anthropogenic inputs to the coastal fluorescent organic matter. In addition, the effect of salinity on the photochemical degradation of the anthropogenic organic matter (especially those from wastewater treatment plants) will be studied to investigate their fate in the water end member by the way of laboratory experiments. Parlanti, E. (2000). Dissolved organic matter fluorescence spectroscopy as a tool to estimate biological activity in a coastal zone submitted to anthropogenic inputs. Organic Geochemistry, 31(12), 1765-1781. doi:10.1016/S0146-6380(00)00124-8 Tedetti, M., Guigue, C., & Goutx, M. (2010). Utilization of a submersible UV fluorometer for monitoring anthropogenic inputs in the Mediterranean coastal waters. Marine Pollution Bulletin, 60(3), 350-62. doi:10.1016/j.marpolbul.2009.10.018

Estuarial fingerprinting through multidimensional fluorescence and multivariate analysis.

PubMed

Hall, Gregory J; Clow, Kerin E; Kenny, Jonathan E

2005-10-01

As part of a strategy for preventing the introduction of aquatic nuisance species (ANS) to U.S. estuaries, ballast water exchange (BWE) regulations have been imposed. Enforcing these regulations requires a reliable method for determining the port of origin of water in the ballast tanks of ships entering U.S. waters. This study shows that a three-dimensional fluorescence fingerprinting technique, excitation emission matrix (EEM) spectroscopy, holds great promise as a ballast water analysis tool. In our technique, EEMs are analyzed by multivariate classification and curve resolution methods, such as N-way partial least squares Regression-discriminant analysis (NPLS-DA) and parallel factor analysis (PARAFAC). We demonstrate that classification techniques can be used to discriminate among sampling sites less than 10 miles apart, encompassing Boston Harbor and two tributaries in the Mystic River Watershed. To our knowledge, this work is the first to use multivariate analysis to classify water as to location of origin. Furthermore, it is shown that curve resolution can show seasonal features within the multidimensional fluorescence data sets, which correlate with difficulty in classification.

Simultaneous determination of α-asarone and β-asarone in Acorus tatarinowii using excitation-emission matrix fluorescence coupled with chemometrics methods

NASA Astrophysics Data System (ADS)

Bai, Xue-Mei; Liu, Tie; Liu, De-Long; Wei, Yong-Ju

2018-02-01

A chemometrics-assisted excitation-emission matrix (EEM) fluorescence method was proposed for simultaneous determination of α-asarone and β-asarone in Acorus tatarinowii. Using the strategy of combining EEM data with chemometrics methods, the simultaneous determination of α-asarone and β-asarone in the complex Traditional Chinese medicine system was achieved successfully, even in the presence of unexpected interferents. The physical or chemical separation step was avoided due to the use of ;mathematical separation;. Six second-order calibration methods were used including parallel factor analysis (PARAFAC), alternating trilinear decomposition (ATLD), alternating penalty trilinear decomposition (APTLD), self-weighted alternating trilinear decomposition (SWATLD), the unfolded partial least-squares (U-PLS) and multidimensional partial least-squares (N-PLS) with residual bilinearization (RBL). In addition, HPLC method was developed to further validate the presented strategy. Consequently, for the validation samples, the analytical results obtained by six second-order calibration methods were almost accurate. But for the Acorus tatarinowii samples, the results indicated a slightly better predictive ability of N-PLS/RBL procedure over other methods.

Dissolved organic matter dynamics in the oligo/meso-haline zone of wetland-influenced coastal rivers

NASA Astrophysics Data System (ADS)

Maie, Nagamitsu; Sekiguchi, Satoshi; Watanabe, Akira; Tsutsuki, Kiyoshi; Yamashita, Youhei; Melling, Lulie; Cawley, Kaelin M.; Shima, Eikichi; Jaffé, Rudolf

2014-08-01

Wetlands are key components in the global carbon cycle and export significant amounts of terrestrial carbon to the coastal oceans in the form of dissolved organic carbon (DOC). Conservative behavior along the salinity gradient of DOC and chromophoric dissolved organic matter (CDOM) has often been observed in estuaries from their freshwater end-member (salinity = 0) to the ocean (salinity = 35). While the oligo/meso-haline (salinity < 10) tidal zone of upper estuaries has been suggested to be more complex and locally influenced by geomorphological and hydrological features, the environmental dynamics of dissolved organic matter (DOM) and the environmental drivers controlling its source, transport, and fate have scarcely been evaluated. Here, we investigated the distribution patterns of DOC and CDOM optical properties determined by UV absorbance at 254 nm (A254) and excitation-emission matrix (EEM) fluorescence coupled with parallel factor analysis (PARAFAC) along the lower salinity range (salinity < 10) of the oligo/meso-haline zone for three distinct wetland-influenced rivers; namely the Bekanbeushi River, a cool-temperate river with estuarine lake in Hokkaido, Japan, the Harney River, a subtropical river with tidally-submerged mangrove fringe in Florida, USA, and the Judan River, a small, acidic, tropical rainforest river in Borneo, Malaysia. For the first two rivers, a clear decoupling between DOC and A254 was observed, while these parameters showed similar conservative behavior for the third. Three distinct EEM-PARAFAC models established for each of the rivers provided similar spectroscopic characteristics except for some unique fluorescence features observed for the Judan River. The distribution patterns of PARAFAC components suggested that the inputs from plankton and/or submerged aquatic vegetation can be important in the Bekanbeushi River. Further, DOM photo-products formed in the estuarine lake were also found to be transported upstream. In the Harney River, whereas upriver-derived terrestrial humic-like components were mostly distributed conservatively, some of these components were also derived from mangrove inputs in the oligo/meso-haline zone. Interestingly, fluorescence intensities of some terrestrial humic-like components increased with salinity for the Judan River possibly due to changes in the dissociation state of acidic functional groups and/or increase in the fluorescence quantum yield along the salinity gradient. The protein-like and microbial humic-like components were distributed differently between three wetland rivers, implying that interplay between loss to microbial degradation and inputs from diverse sources are different for the three wetland-influenced rivers. The results presented here indicate that upper estuarine oligo/meso-haline regions of coastal wetland rivers are highly dynamic with regard to the biogeochemical behavior of DOM.

Dissolved Organic Carbon Degradation in Response to Nutrient Amendments in Southwest Greenland Lakes

NASA Astrophysics Data System (ADS)

Burpee, B. T.; Northington, R.; Simon, K. S.; Saros, J. E.

2014-12-01

Aquatic ecosystems across the Arctic are currently experiencing rapid shifts in biotic, chemical, and physical factors in response to climate change. Preliminary data from multiple lakes in southwestern Greenland indicate decreasing dissolved organic carbon (DOC) concentrations over the past decade. Though several factors may be contributing to this phenomenon, this study attempts to elucidate the potential of heterotrophic bacteria to degrade DOC in the presence of increasing nutrient concentrations. In certain Arctic regions, nutrient subsidies have been released into lakes due to permafrost thaw. If this is occurring in southwestern Greenland, we hypothesized that increased nutrient concentrations will relieve nutrient limitation, thereby allowing heterotrophic bacteria to utilize DOC as an energy source. This prediction was tested using experimental DOC degradation assays from four sample lakes. Four nutrient amendment treatments (control, N, P, and N + P) were used to simulate in situ subsidies. Five time points were sampled during the incubation: days 0, 3, 6, 14, and 60. Total organic carbon (TOC) and parallel factor (PARAFAC) analysis were used to monitor the relative concentrations of different DOC fractions over time. In addition, samples for extracellular enzyme activity (EEA) analysis were collected at every time point. Early analysis of fulvic and humic pools of DOC do not indicate any significant change from days 0 to 14. This could be due to the fact that these DOC fractions are relatively recalcitrant. This study will be important in determining whether bacterial degradation could be a contributing factor to DOC decline in arctic lakes.

Characterizing dissolved organic matter using PARAFAC modeling of fluorescence spectroscopy: a comparison of two models

Treesearch

Jason B. Fellman; Mathew P. Miller; Rose M. Cory; David V. D' Amore; Dan White

2009-01-01

We evaluated whether fitting fluorescence excitation-emission matrices (EEMs) to a previously validated PARAFAC model is an acceptable alternative to building an original model. To do this, we built a l0-component model using 307 EEMscollected from southeast Alaskan soil and streamwater. All 307 EEMs were then fit to the existing model (CM) presented in Cory and...

A novel improved method for analysis of 2D diffusion relaxation data—2D PARAFAC-Laplace decomposition

NASA Astrophysics Data System (ADS)

Tønning, Erik; Polders, Daniel; Callaghan, Paul T.; Engelsen, Søren B.

2007-09-01

This paper demonstrates how the multi-linear PARAFAC model can with advantage be used to decompose 2D diffusion-relaxation correlation NMR spectra prior to 2D-Laplace inversion to the T2- D domain. The decomposition is advantageous for better interpretation of the complex correlation maps as well as for the quantification of extracted T2- D components. To demonstrate the new method seventeen mixtures of wheat flour, starch, gluten, oil and water were prepared and measured with a 300 MHz nuclear magnetic resonance (NMR) spectrometer using a pulsed gradient stimulated echo (PGSTE) pulse sequence followed by a Carr-Purcell-Meiboom-Gill (CPMG) pulse echo train. By varying the gradient strength, 2D diffusion-relaxation data were recorded for each sample. From these double exponentially decaying relaxation data the PARAFAC algorithm extracted two unique diffusion-relaxation components, explaining 99.8% of the variation in the data set. These two components were subsequently transformed to the T2- D domain using 2D-inverse Laplace transformation and quantitatively assigned to the oil and water components of the samples. The oil component was one distinct distribution with peak intensity at D = 3 × 10 -12 m 2 s -1 and T2 = 180 ms. The water component consisted of two broad populations of water molecules with diffusion coefficients and relaxation times centered around correlation pairs: D = 10 -9 m 2 s -1, T2 = 10 ms and D = 3 × 10 -13 m 2 s -1, T2 = 13 ms. Small spurious peaks observed in the inverse Laplace transformation of original complex data were effectively filtered by the PARAFAC decomposition and thus considered artefacts from the complex Laplace transformation. The oil-to-water ratio determined by PARAFAC followed by 2D-Laplace inversion was perfectly correlated with known oil-to-water ratio of the samples. The new method of using PARAFAC prior to the 2D-Laplace inversion proved to have superior potential in analysis of diffusion-relaxation spectra, as it improves not only the interpretation, but also the quantification.

Determination of the thermal, oxidative and photochemical degradation rates of scintillator liquid by fluorescence EEM spectroscopy.

PubMed

Andrews, N L P; Fan, J Z; Forward, R L; Chen, M C; Loock, H-P

2016-12-21

The thermal, oxidative and photochemical stability of the scintillator liquid proposed for the SNO+ experiment has been tested experimentally using accelerated aging methods. The stability of the scintillator constituents was determined through fluorescence excitation emission matrix (EEM) spectroscopy and absorption spectroscopy, using parallel factor analysis (PARAFAC) as an multivariate analysis tool. By exposing the scintillator liquid to a well-known photon flux at 365 nm and by measuring the decay rate of the fluorescence shifters and the formation rate of their photochemical degradation products, we can place an upper limit on the acceptable photon flux as 1.38 ± 0.09 × 10 -11 photon mol L -1 . Similarly, the oxidative stability of the scintillator liquid was determined by exposure to air at several elevated temperatures. Through measurement of the corresponding activation energy it was determined that the average oxygen concentration would have to be kept below 4.3-7.1 ppb w (headspace partial pressure below 24 ppm v ). On the other hand, the thermal stability of the scintillator cocktail in the absence of light and oxygen was remarkable and poses no concern to the SNO+ experiment.

An Electrochemical Quartz Crystal Microbalance Multisensor System Based on Phthalocyanine Nanostructured Films: Discrimination of Musts

PubMed Central

Garcia-Hernandez, Celia; Medina-Plaza, Cristina; Garcia-Cabezon, Cristina; Martin-Pedrosa, Fernando; del Valle, Isabel; de Saja, Jose Antonio; Rodríguez-Méndez, Maria Luz

2015-01-01

An array of electrochemical quartz crystal electrodes (EQCM) modified with nanostructured films based on phthalocyanines was developed and used to discriminate musts prepared from different varieties of grapes. Nanostructured films of iron, nickel and copper phthalocyanines were deposited on Pt/quartz crystals through the Layer by Layer technique by alternating layers of the corresponding phthalocyanine and poly-allylamine hydrochloride. Simultaneous electrochemical and mass measurements were used to study the mass changes accompanying the oxidation of electroactive species present in must samples obtained from six Spanish varieties of grapes (Juan García, Prieto Picudo, Mencía Regadío, Cabernet Sauvignon, Garnacha and Tempranillo). The mass and voltammetric outputs were processed using three-way models. Parallel Factor Analysis (PARAFAC) was successfully used to discriminate the must samples according to their variety. Multi-way partial least squares (N-PLS) evidenced the correlations existing between the voltammetric data and the polyphenolic content measured by chemical methods. Similarly, N-PLS showed a correlation between mass outputs and parameters related to the sugar content. These results demonstrated that electronic tongues based on arrays of EQCM sensors can offer advantages over arrays of mass or voltammetric sensors used separately. PMID:26610494

Impacts of beaver ponds on dissolved organic matter cycling in small temperate streams.

NASA Astrophysics Data System (ADS)

Larsen, J.; Lambert, T.; Larsen, A.; Lane, S.

2017-12-01

Beavers are engineers that modify the structure of river reaches and their hydrological functioning. By building dams, they modify the travel time of running waters and can lead to the flooding of surrounding soils and terrestrial vegetation, with potentially significant impact on biogeochemical cycles. Contradictory effects of beaver ponds on dissolved organic matter (DOM) concentration and composition have however been reported, and the underlying reasons are still unclear. In this study, we aimed to investigate the role of the landscape morphology as an important driver determining how a beaver population can affect stream DOM cycling. Four streams localized in Switzerland and Germany were visited during different seasons (spring, summer, winter) and monitored at upstream and downstream locations of beaver ponds across a hydrological cycle. The sites differed in terms of river channel morphology, presence or absence of floodplain, and vegetation cover. DOM composition was investigated through absorbance and fluorescence measurements coupled with parallel factor analysis (PARAFAC) along with stream water quality (nutrients, pH, dissolved oxygen and water temperature). The results show that the effects of beaver dams were variable, and emphasizes the importance of the geomorphological context.

Investigating the composition characteristics of dissolved and particulate/colloidal organic matter in effluent-dominated stream using fluorescence spectroscopy combined with multivariable analysis.

PubMed

Yu, Min-Da; He, Xiao-Song; Xi, Bei-Dou; Gao, Ru-Tai; Zhao, Xian-Wei; Zhang, Hui; Huang, Cai-Hong; Tan, Wenbing

2018-03-01

Fluorescence excitation-emission matrix (EEM) spectroscopy combined with principal component analysis (PCA) and parallel factor analysis (PARAFAC) were used to investigate the compositional characteristics of dissolved and particulate/colloidal organic matter and its correlations with nitrogen, phosphorus, and heavy metals in an effluent-dominated stream, Northern China. The results showed that dissolved organic matter (DOM) was comprised of fulvic-like, humic-like, and protein-like components in the water samples, and fulvic-like substances were the main fraction of DOM among them. Particulate/colloidal organic matter (PcOM) consisted of fulvic-like and protein-like matter. Fulvic-like substances existed in the larger molecular form in PcOM, and they comprised a large amount of nitrogen and polar functional groups. On the other hand, protein-like components in PcOM were low in benzene ring and bound to heavy metals. It could be concluded that nitrogen, phosphorus, and heavy metals in effluent had an effect on the compositional characteristics of natural DOM and PcOM, which may deepen our understanding about the environmental behaviors of organic matter in effluent.

A novel second-order standard addition analytical method based on data processing with multidimensional partial least-squares and residual bilinearization.

PubMed

Lozano, Valeria A; Ibañez, Gabriela A; Olivieri, Alejandro C

2009-10-05

In the presence of analyte-background interactions and a significant background signal, both second-order multivariate calibration and standard addition are required for successful analyte quantitation achieving the second-order advantage. This report discusses a modified second-order standard addition method, in which the test data matrix is subtracted from the standard addition matrices, and quantitation proceeds via the classical external calibration procedure. It is shown that this novel data processing method allows one to apply not only parallel factor analysis (PARAFAC) and multivariate curve resolution-alternating least-squares (MCR-ALS), but also the recently introduced and more flexible partial least-squares (PLS) models coupled to residual bilinearization (RBL). In particular, the multidimensional variant N-PLS/RBL is shown to produce the best analytical results. The comparison is carried out with the aid of a set of simulated data, as well as two experimental data sets: one aimed at the determination of salicylate in human serum in the presence of naproxen as an additional interferent, and the second one devoted to the analysis of danofloxacin in human serum in the presence of salicylate.

The nature of colored dissolved organic matter in the southern Canada Basin and East Siberian Sea

NASA Astrophysics Data System (ADS)

Guéguen, C.; McLaughlin, F. A.; Carmack, E. C.; Itoh, M.; Narita, H.; Nishino, S.

2012-12-01

Distributions of colored dissolved organic matter (CDOM) in the upper 400 m of the southern Canada Basin and East Siberian Sea were determined using an in situ WETStar fluorometer and fluorescence spectroscopy during cruises in 2008 as part of the Canada/US Joint Ocean Ice Study and Japan's International Polar Year program. Despite the low CDOM range (0.009-0.069 r.u.) observed in the upper 400 m of the study area, our results show that CDOM can be quantified from in situ DOM fluorescence sensor measurements. Unlike DOC concentrations, which are known to decrease with increasing depth, a pronounced mid-depth CDOM maximum was associated with the Pacific-derived winter water throughout our study area. Using parallel factor analysis (PARAFAC) to resolve dominant fluorophore components in fluorescence excitation-emission matrices (EEM), we identified three humic-like and two proteinaceous components. The nature and origin of these five fluorophores were investigated based on their fluorescent characteristics as well as their vertical and geographical distributions. The lowest terrestrial humic-like signals in the surface waters were mostly due to photochemical processes, whereas the highest microbial/marine humic-like signal revealed interactions with sediment during the formation of Pacific-origin haloclines over the Arctic shelves. The humic-like fluorophores dominated DOM fluorescence in the Westernmost region in the East Siberian Sea whereas the contribution of protein-like fluorophores was predominant elsewhere. The significant difference in CDOM composition between East and West of the 180° meridian suggests the presence of a front that divides our study area into the Eastern Chukchi—Beaufort and East Siberian sides. This indicates a change in water circulation, and that more than one DOM source affects our study area. Unlike proteinaceous material, the humic-like compounds varied significantly in the halocline. Ten to 20 percent enrichment was observed in terrestrially-derived DOM in the two Pacific-derived haloclines relative to the Atlantic-derived lower halocline. The application of PARAFAC modeling on fluorescent DOM is shown to be an important tool to investigate the dynamics and transport of allochthonous DOM in the Arctic Ocean.

Identification of the function of extracellular polymeric substances (EPS) in denitrifying phosphorus removal sludge in the presence of copper ion.

PubMed

Wang, Yayi; Qin, Jian; Zhou, Shuai; Lin, Ximao; Ye, Liu; Song, Chengkang; Yan, Yuan

2015-04-15

Industrial wastewater containing heavy metals that enters municipal wastewater treatment plants inevitably has a toxic impact on biological treatment processes. In this study, the impact of Cu(II) (0, 1.5, 2, 2.5, 3 mg/L) on the performance of denitrifying phosphorus removal (DPR) and microbial community structures was investigated. Particularly, the dynamic change in the amount and composition of extracellular polymeric substances (EPS), and the role of EPS in P removal, were assessed using three-dimensional excitation-emission matrix fluorescence spectroscopy combined with parallel factor (PARAFAC) analysis. The results showed that, after long-term adjustment, the P removal efficiency was maintained at 95 ± 2.7% at Cu(II) addition up to 2.5 mg/L, but deteriorated when the Cu(II) addition was 3 mg/L. The EPS content, including proteins and humic substances, increased with increasing Cu(II) additions at concentrations ≤2.5 mg/L. This property of EPS was beneficial for protecting phosphate-accumulating organisms (PAOs) against heavy metals, as both proteins and humic substances are strong ligands for Cu(II). Therefore, the PAOs abundance was still relatively high (67 ± 3%) when Cu(II) accumulation in sludge was up to 10 mg/g SS. PARAFAC confirmed that aromatic proteins could be transformed into soluble microbial byproduct-like material when microorganisms were subjected to Cu(II) stress, owing to their strong metal ion complexing capacity. The increase in the percentage of humic-like substances enhanced the detoxification function of the sludge EPS. EPS accounted for approximately 26-47% of P removed by adsorption when Cu(II) additions were between 0 and 2.5 mg/L. The EPS function, including binding toxic heavy metals and P storage, enhanced the operating stability of DPR systems. This study provides us with a better understanding of (1) the tolerance of DPR sludge to copper toxicity and (2) the function of sludge EPS in the presence of heavy metals in biological P removal systems. Copyright © 2015 Elsevier Ltd. All rights reserved.

Influence of intermittent stream connectivity on water quality and salmonid survivorship.

NASA Astrophysics Data System (ADS)

Hildebrand, J.; Woelfle-Erskine, C. A.; Larsen, L.

2014-12-01

Anthropogenic stress and climate change are causing an increasing number of California streams to become intermittent and are driving earlier and more severe summertime drying. The extent to which emerging water conservation alternatives impact flows or habitat quality (e.g. temperature, DO) for salmonids remains poorly understood. Here, we investigate the proximal drivers of salmonid mortality over a range of connectivity conditions during summertime intermittency in Salmon Creek watershed, Sonoma County, CA. Through extensive sampling in paired subwatersheds over a period of two years, we tested the hypothesis that accumulation of readily bioavailable DOC in poorly flushed pools drives DO decline associated with loss of salmonids. We then traced the origin and flow pathways of DOC throughout the watershed using Parallel Factor Analysis (PARAFAC). We obtained samples for DOC and stable isotope analyses at monthly intervals from 20 piezometers and surface water in the study reaches and from private wells and springs distributed throughout the watersheds. We also obtained in situ DO, conductivity and pH readings within stream study reaches. We determined DOC quality by SUVA (specific UV absorbance) and fluorescence index. We calculated stream metabolism rates using the single station method. In pools instrumented with DO sensors, we compared changing DOC quality during the summer months to changes in DO concentrations and stream metabolism. Our results show that the duration of complete disconnection of pools during the summer months and stream metabolic rates are positively correlated with salmonid mortality. Furthermore, our results indicate that salmonid mortality is greatest in disconnected pools with low DOC fluorescence indices and high SUVA values, indicative of terrestrially derived DOC and little or no groundwater inflow. Conversely low salmonid mortality was found in disconnected pools with high fluorescence index and low SUVA, indicative of microbially derived DOC. These pools showed clear signs of hyporheic inflow during summertime drying despite complete surficial disconnection. PARAFAC analysis pinpointed groundwater sources of hyporheic flow in the watershed, suggesting that targeted aquifer recharge may contribute to salmonid recovery by augmenting flow in summer refugia.

Differential fluorescence EEMs can be used to assess treatability of DOM during drinking water production

NASA Astrophysics Data System (ADS)

Lavonen, Elin; Kothawala, Dolly; Tranvik, Lars; Köhler, Stephan

2014-05-01

Fluorescence spectroscopy has been widely used to characterize fluorescent dissolved organic matter (FDOM) in various waters including during drinking water production. Commonly used techniques for data treatment include peak picking, indexes calculated from 2D emission spectra and modelling of fluorescence components using parallel factor analysis (PARAFAC). However, peak picking and indexes only use limited information from the fluorescence EEMs and PARAFAC requires a larger dataset and experience to perform. Because DOM is a major issue in drinking water production, and personnel at water treatment plants usually have limited time for advanced analysis we have developed a simple way of assessing the treatability of DOM in different waters using differential fluorescence. With this approach the removed fraction of FDOM is calculated from samples taken before and after a particular treatment process and the percentage of removed material assessed. Samples have been collected from four large water treatment plants in Sweden and analyzed for 3Dfluorescence, absorbance and DOC. The selective removal of DOM during e.g. flocculation and slow sand filtration as well as differences in experienced treatability between the treatment plants was described with differential fluorescence. Chemical flocculation is selective towards FDOM with red-shifted emission across the entire EEM. Red-shift has earlier been connected to condensation (i.e. decrease in H/C) and positively correlated to molecular size indicating that larger, humified molecules are being preferentially removed. During the biological process of slow sand filtration compounds with blue-shifted emission are targeted demonstrating selective removal of more freshly produced, microbial material. Disinfection with UV/NH2Cl and NaOCl was found to only target material with protein-like fluorescence suggesting that FDOM of this nature could be responsible for unwanted consumption of disinfection agent. Targeted removal of this fraction prior to disinfection should optimize the process. Furthermore, the main process at all studied WTPs is flocculation and their experienced treatability could easily be explained through the percentage of FDOM with emission above 450 nm (p<0.0001).

Spectral characterization of the fluorescent components present in humic substances, fulvic acid and humic acid mixed with pure benzo(a)pyrene solution.

PubMed

El Fallah, Rawa; Rouillon, Régis; Vouvé, Florence

2018-06-15

The fate of benzo(a)pyrene (BaP), a ubiquitous contaminant reported to be persistent in the environment, is largely controlled by its interactions with the soil organic matter. In the present study, the spectral characteristics of fluorophores present in the physical fractions of the soil organic matter were investigated in the presence of pure BaP solution. After extraction of humic substances (HSs), and their fractionation into fluvic acid (FA) and humic acid (HA), two fluorescent compounds (C 1 and C 2 ) were identified and characterized in each physical soil fraction, by means of fluorescence excitation-emission matrices (FEEMs) and Parallel Factor Analysis (PARAFAC). Then, to each type of fraction having similar DOC content, was added an increasing volume of pure BaP solution in attempt to assess the behavior of BaP with the fluorophores present in each one. The application of FEEMs-PARAFAC method validated a three-component model that consisted of the two resulted fluorophores from HSs, FA and HA (C 1 and C 2 ) and a BaP-like fluorophore (C 3 ). Spectral modifications were noted for components C 2 HSs (C 2 in humic substances fraction) (λex/λem: 420/490-520 nm), C 2 FA (C 2 in fulvic acid fraction) (λex/λem: 400/487(517) nm) and C 1 HA (C 1 in humic acid fraction) (λex/λem: 350/452(520) nm). We explored the impact of increasing the volume of the added pure BaP solution on the scores of the fluorophores present in the soil fractions. It was found that the scores of C 2 HSs, C 2 FA, and C 1 HA increased when the volume of the added pure BaP solution increased. Superposition of the excitation spectra of these fluorophores with the emission spectrum of BaP showed significant overlaps that might explain the observed interactions between BaP and the fluorescent compounds present in SOM physical fractions. Copyright © 2018 Elsevier B.V. All rights reserved.

Spectral characterization of the fluorescent components present in humic substances, fulvic acid and humic acid mixed with pure benzo(a)pyrene solution

NASA Astrophysics Data System (ADS)

El Fallah, Rawa; Rouillon, Régis; Vouvé, Florence

2018-06-01

The fate of benzo(a)pyrene (BaP), a ubiquitous contaminant reported to be persistent in the environment, is largely controlled by its interactions with the soil organic matter. In the present study, the spectral characteristics of fluorophores present in the physical fractions of the soil organic matter were investigated in the presence of pure BaP solution. After extraction of humic substances (HSs), and their fractionation into fluvic acid (FA) and humic acid (HA), two fluorescent compounds (C1 and C2) were identified and characterized in each physical soil fraction, by means of fluorescence excitation-emission matrices (FEEMs) and Parallel Factor Analysis (PARAFAC). Then, to each type of fraction having similar DOC content, was added an increasing volume of pure BaP solution in attempt to assess the behavior of BaP with the fluorophores present in each one. The application of FEEMs-PARAFAC method validated a three-component model that consisted of the two resulted fluorophores from HSs, FA and HA (C1 and C2) and a BaP-like fluorophore (C3). Spectral modifications were noted for components C2HSs (C2 in humic substances fraction) (λex/λem: 420/490-520 nm), C2FA (C2 in fulvic acid fraction) (λex/λem: 400/487(517) nm) and C1HA (C1 in humic acid fraction) (λex/λem: 350/452(520) nm). We explored the impact of increasing the volume of the added pure BaP solution on the scores of the fluorophores present in the soil fractions. It was found that the scores of C2HSs, C2FA, and C1HA increased when the volume of the added pure BaP solution increased. Superposition of the excitation spectra of these fluorophores with the emission spectrum of BaP showed significant overlaps that might explain the observed interactions between BaP and the fluorescent compounds present in SOM physical fractions.

Quantification of source impact to PM using three-dimensional weighted factor model analysis on multi-site data

NASA Astrophysics Data System (ADS)

Shi, Guoliang; Peng, Xing; Huangfu, Yanqi; Wang, Wei; Xu, Jiao; Tian, Yingze; Feng, Yinchang; Ivey, Cesunica E.; Russell, Armistead G.

2017-07-01

Source apportionment technologies are used to understand the impacts of important sources of particulate matter (PM) air quality, and are widely used for both scientific studies and air quality management. Generally, receptor models apportion speciated PM data from a single sampling site. With the development of large scale monitoring networks, PM speciation are observed at multiple sites in an urban area. For these situations, the models should account for three factors, or dimensions, of the PM, including the chemical species concentrations, sampling periods and sampling site information, suggesting the potential power of a three-dimensional source apportionment approach. However, the principle of three-dimensional Parallel Factor Analysis (Ordinary PARAFAC) model does not always work well in real environmental situations for multi-site receptor datasets. In this work, a new three-way receptor model, called "multi-site three way factor analysis" model is proposed to deal with the multi-site receptor datasets. Synthetic datasets were developed and introduced into the new model to test its performance. Average absolute error (AAE, between estimated and true contributions) for extracted sources were all less than 50%. Additionally, three-dimensional ambient datasets from a Chinese mega-city, Chengdu, were analyzed using this new model to assess the application. Four factors are extracted by the multi-site WFA3 model: secondary source have the highest contributions (64.73 and 56.24 μg/m3), followed by vehicular exhaust (30.13 and 33.60 μg/m3), crustal dust (26.12 and 29.99 μg/m3) and coal combustion (10.73 and 14.83 μg/m3). The model was also compared to PMF, with general agreement, though PMF suggested a lower crustal contribution.

Tensor hypercontraction. II. Least-squares renormalization

NASA Astrophysics Data System (ADS)

Parrish, Robert M.; Hohenstein, Edward G.; Martínez, Todd J.; Sherrill, C. David

2012-12-01

The least-squares tensor hypercontraction (LS-THC) representation for the electron repulsion integral (ERI) tensor is presented. Recently, we developed the generic tensor hypercontraction (THC) ansatz, which represents the fourth-order ERI tensor as a product of five second-order tensors [E. G. Hohenstein, R. M. Parrish, and T. J. Martínez, J. Chem. Phys. 137, 044103 (2012)], 10.1063/1.4732310. Our initial algorithm for the generation of the THC factors involved a two-sided invocation of overlap-metric density fitting, followed by a PARAFAC decomposition, and is denoted PARAFAC tensor hypercontraction (PF-THC). LS-THC supersedes PF-THC by producing the THC factors through a least-squares renormalization of a spatial quadrature over the otherwise singular 1/r12 operator. Remarkably, an analytical and simple formula for the LS-THC factors exists. Using this formula, the factors may be generated with O(N^5) effort if exact integrals are decomposed, or O(N^4) effort if the decomposition is applied to density-fitted integrals, using any choice of density fitting metric. The accuracy of LS-THC is explored for a range of systems using both conventional and density-fitted integrals in the context of MP2. The grid fitting error is found to be negligible even for extremely sparse spatial quadrature grids. For the case of density-fitted integrals, the additional error incurred by the grid fitting step is generally markedly smaller than the underlying Coulomb-metric density fitting error. The present results, coupled with our previously published factorizations of MP2 and MP3, provide an efficient, robust O(N^4) approach to both methods. Moreover, LS-THC is generally applicable to many other methods in quantum chemistry.

Tensor hypercontraction. II. Least-squares renormalization.

PubMed

Parrish, Robert M; Hohenstein, Edward G; Martínez, Todd J; Sherrill, C David

2012-12-14

The least-squares tensor hypercontraction (LS-THC) representation for the electron repulsion integral (ERI) tensor is presented. Recently, we developed the generic tensor hypercontraction (THC) ansatz, which represents the fourth-order ERI tensor as a product of five second-order tensors [E. G. Hohenstein, R. M. Parrish, and T. J. Martínez, J. Chem. Phys. 137, 044103 (2012)]. Our initial algorithm for the generation of the THC factors involved a two-sided invocation of overlap-metric density fitting, followed by a PARAFAC decomposition, and is denoted PARAFAC tensor hypercontraction (PF-THC). LS-THC supersedes PF-THC by producing the THC factors through a least-squares renormalization of a spatial quadrature over the otherwise singular 1∕r(12) operator. Remarkably, an analytical and simple formula for the LS-THC factors exists. Using this formula, the factors may be generated with O(N(5)) effort if exact integrals are decomposed, or O(N(4)) effort if the decomposition is applied to density-fitted integrals, using any choice of density fitting metric. The accuracy of LS-THC is explored for a range of systems using both conventional and density-fitted integrals in the context of MP2. The grid fitting error is found to be negligible even for extremely sparse spatial quadrature grids. For the case of density-fitted integrals, the additional error incurred by the grid fitting step is generally markedly smaller than the underlying Coulomb-metric density fitting error. The present results, coupled with our previously published factorizations of MP2 and MP3, provide an efficient, robust O(N(4)) approach to both methods. Moreover, LS-THC is generally applicable to many other methods in quantum chemistry.

The importance of humin in soil characterisation: A study on Amazonian soils using different fluorescence techniques.

PubMed

Tadini, Amanda Maria; Nicolodelli, Gustavo; Mounier, Stephane; Montes, Célia Regina; Milori, Débora Marcondes Bastos Pereira

2015-12-15

Soil organic matter (SOM) is a complex mixture of molecules with different physicochemical properties, with humic substances (HS) being the main component as it represents around 20-50% of SOM structure. Soil of the Amazon region is considered one of the larger carbon pools of the world; thus, studies of the humic fractions are important for understanding the dynamics of organic matter (OM) in these soils. The aim of this study was to use laser-induced fluorescence spectroscopy (LIFS) and a combination of excitation-emission matrix (EEM) fluorescence with Parallel Factor Analysis (CP/PARAFAC) to assess the characteristics of humin (HU) extracted from Amazonian soils. The results obtained using LIFS showed that there was an increasing gradient of humification degree with depth, the deeper horizon presenting a higher amount of aromatic groups in the structure of HU. From the EEM, the contribution of two fluorophores with similar behaviour in the structures of HU and whole soil was assessed. Additionally, the results showed that the HU fraction might represent a larger fraction of SOM than previously thought: about 80-93% of some Amazon soils. Therefore, HU is an important humic fraction, thus indicating its role in environmental analysis, mainly in soil analysis. Copyright © 2015 Elsevier B.V. All rights reserved.

Geochemistry of Dissolved Organic Matter in a Spatially Highly Resolved Groundwater Petroleum Hydrocarbon Plume Cross-Section.

PubMed

Dvorski, Sabine E-M; Gonsior, Michael; Hertkorn, Norbert; Uhl, Jenny; Müller, Hubert; Griebler, Christian; Schmitt-Kopplin, Philippe

2016-06-07

At numerous groundwater sites worldwide, natural dissolved organic matter (DOM) is quantitatively complemented with petroleum hydrocarbons. To date, research has been focused almost exclusively on the contaminants, but detailed insights of the interaction of contaminant biodegradation, dominant redox processes, and interactions with natural DOM are missing. This study linked on-site high resolution spatial sampling of groundwater with high resolution molecular characterization of DOM and its relation to groundwater geochemistry across a petroleum hydrocarbon plume cross-section. Electrospray- and atmospheric pressure photoionization (ESI, APPI) ultrahigh resolution mass spectrometry (FT-ICR-MS) revealed a strong interaction between DOM and reactive sulfur species linked to microbial sulfate reduction, i.e., the key redox process involved in contaminant biodegradation. Excitation emission matrix (EEM) fluorescence spectroscopy in combination with Parallel Factor Analysis (PARAFAC) modeling attributed DOM samples to specific contamination traits. Nuclear magnetic resonance (NMR) spectroscopy evaluated the aromatic compounds and their degradation products in samples influenced by the petroleum contamination and its biodegradation. Our orthogonal high resolution analytical approach enabled a comprehensive molecular level understanding of the DOM with respect to in situ petroleum hydrocarbon biodegradation and microbial sulfate reduction. The role of natural DOM as potential cosubstrate and detoxification reactant may improve future bioremediation strategies.

Dissolved organic matter fluorescence at wavelength 275/342 nm as a key indicator for detection of point-source contamination in a large Chinese drinking water lake.

PubMed

Zhou, Yongqiang; Jeppesen, Erik; Zhang, Yunlin; Shi, Kun; Liu, Xiaohan; Zhu, Guangwei

2016-02-01

Surface drinking water sources have been threatened globally and there have been few attempts to detect point-source contamination in these waters using chromophoric dissolved organic matter (CDOM) fluorescence. To determine the optimal wavelength derived from CDOM fluorescence as an indicator of point-source contamination in drinking waters, a combination of field campaigns in Lake Qiandao and a laboratory wastewater addition experiment was used. Parallel factor (PARAFAC) analysis identified six components, including three humic-like, two tryptophan-like, and one tyrosine-like component. All metrics showed strong correlation with wastewater addition (r(2) > 0.90, p < 0.0001). Both the field campaigns and the laboratory contamination experiment revealed that CDOM fluorescence at 275/342 nm was the most responsive wavelength to the point-source contamination in the lake. Our results suggest that pollutants in Lake Qiandao had the highest concentrations in the river mouths of upstream inflow tributaries and the single wavelength at 275/342 nm may be adapted for online or in situ fluorescence measurements as an early warning of contamination events. This study demonstrates the potential utility of CDOM fluorescence to monitor water quality in surface drinking water sources. Copyright © 2015 Elsevier Ltd. All rights reserved.

Structure-seeking multilinear methods for the analysis of fMRI data.

PubMed

Andersen, Anders H; Rayens, William S

2004-06-01

In comprehensive fMRI studies of brain function, the data structures often contain higher-order ways such as trial, task condition, subject, and group in addition to the intrinsic dimensions of time and space. While multivariate bilinear methods such as principal component analysis (PCA) have been used successfully for extracting information about spatial and temporal features in data from a single fMRI run, the need to unfold higher-order data sets into bilinear arrays has led to decompositions that are nonunique and to the loss of multiway linkages and interactions present in the data. These additional dimensions or ways can be retained in multilinear models to produce structures that are unique and which admit interpretations that are neurophysiologically meaningful. Multiway analysis of fMRI data from multiple runs of a bilateral finger-tapping paradigm was performed using the parallel factor (PARAFAC) model. A trilinear model was fitted to a data cube of dimensions voxels by time by run. Similarly, a quadrilinear model was fitted to a higher-way structure of dimensions voxels by time by trial by run. The spatial and temporal response components were extracted and validated by comparison to results from traditional SVD/PCA analyses based on scenarios of unfolding into lower-order bilinear structures.

Characterizing spatiotemporal variations of chromophoric dissolved organic matter in headwater catchment of a key drinking water source in China.

PubMed

Chen, Yihan; Yu, Kaifeng; Zhou, Yongqiang; Ren, Longfei; Kirumba, George; Zhang, Bo; He, Yiliang

2017-12-01

Natural surface drinking water sources with the increasing chromophoric dissolved organic matter (CDOM) have profound influences on the aquatic environment and drinking water safety. Here, this study investigated the spatiotemporal variations of CDOM in Fengshuba Reservoir and its catchments in China. Twenty-four surface water samples, 45 water samples (including surface water, middle water, and bottom water), and 15 pore water samples were collected from rivers, reservoir, and sediment of the reservoir, respectively. Then, three fluorescent components, namely two humic-like components (C1 and C2) and a tryptophan-like component (C3), were identified from the excitation-emission matrix coupled with parallel factor analysis (EEM-PARAFAC) for all samples. For spatial distributions, the levels of CDOM and two humic-like components in the reservoir were significantly lower than those in the upstream rivers (p < 0.01), indicating that the reservoir may act as a reactor to partly reduce the levels of exogenous input including CDOM and humic-like matters from the surrounding catchment. For temporal variations, the mean levels of CDOM and three fluorescent components did not significantly change in rivers, suggesting that perennial anthropic activity maybe an important factor impacting the concentration and composition of river CDOM but not the precipitation and runoff. However, these mean values of CDOM for the bulk waters of the reservoir changed markedly along with seasonal variations, indicating that the hydrological processes in the reservoir could control the quality and quantity of CDOM. The different correlations between the fluorescent components and primary water parameters in the river, reservoir, and pore water samples further suggest that the reservoir is an important factor regulating the migration and transformation of FDOM along with the variations of different environmental gradients.

Time-resolved laser fluorescence spectroscopy of organic ligands by europium: Fluorescence quenching and lifetime properties

NASA Astrophysics Data System (ADS)

Nouhi, A.; Hajjoul, H.; Redon, R.; Gagné, J. P.; Mounier, S.

2018-03-01

Time-resolved Laser Fluorescence Spectroscopy (TRLFS) has proved its usefulness in the fields of biophysics, life science and geochemistry to characterize the fluorescence probe molecule with its chemical environment. The purpose of this study is to demonstrate the applicability of this powerful technique combined with Steady-State (S-S) measurements. A multi-mode factor analysis, in particular CP/PARAFAC, was used to analyze the interaction between Europium (Eu) and Humic substances (HSs) extracted from Saint Lawrence Estuary in Canada. The Saint Lawrence system is a semi-enclosed water stream with connections to the Atlantic Ocean and is an excellent natural laboratory. CP/PARAFAC applied to fluorescence S-S data allows introspecting ligands-metal interactions and the one-site 1:1 modeling gives information about the stability constants. From the spectral signatures and decay lifetimes data given by TRLFS, one can deduce the fluorescence quenching which modifies the fluorescence and discuss its mechanisms. Results indicated a relatively strong binding ability between europium and humic substances samples (Log K value varies from 3.38 to 5.08 at pH 7.00). Using the Stern-Volmer plot, it has been concluded that static and dynamic quenching takes places in the case of salicylic acid and europium interaction while for HSs interaction only a static quenching is observed.

Influence of dissolved organic matter on dissolved vanadium speciation in the Churchill River estuary (Manitoba, Canada).

PubMed

Shi, Yong Xiang; Mangal, Vaughn; Guéguen, Céline

2016-07-01

Diffusive gradients in thin films (DGT) devices were used to investigate the temporal and spatial changes in vanadium (V) speciation in the Churchill estuary system (Manitoba). Thirty-six DGT sets and 95 discrete water samples were collected at 8 river and 3 estuary sites during spring freshet and summer base flow. Dissolved V concentration in the Churchill River at summer base flow was approximately 5 times higher than those during the spring high flow (27.3 ± 18.9 nM vs 4.8 ± 3.5 nM). DGT-labile V showed an opposite trend with greater values found during the spring high flow (2.6 ± 1.8 nM vs 1.4 ± 0.3 nM). Parallel factor analysis (PARAFAC) conducted on 95 excitation-emission matrix spectra validated four humic-like (C1C4) and one protein-like (C5) fluorescent components. Significant positive relationship was found between protein-like DOM and DGT-labile V (r = 0.53, p < 0.05), indicating that protein-like DOM possibly affected the DGT-labile V concentration in Churchill River. Sediment leachates were enriched in DGT-labile V and protein-like DOM, which can be readily released when river sediment began to thaw during spring freshet. Copyright © 2016 Elsevier Ltd. All rights reserved.

Light emitting diode excitation emission matrix fluorescence spectroscopy.

PubMed

Hart, Sean J; JiJi, Renée D

2002-12-01

An excitation emission matrix (EEM) fluorescence instrument has been developed using a linear array of light emitting diodes (LED). The wavelengths covered extend from the upper UV through the visible spectrum: 370-640 nm. Using an LED array to excite fluorescence emission at multiple excitation wavelengths is a low-cost alternative to an expensive high power lamp and imaging spectrograph. The LED-EEM system is a departure from other EEM spectroscopy systems in that LEDs often have broad excitation ranges which may overlap with neighboring channels. The LED array can be considered a hybrid between a spectroscopic and sensor system, as the broad LED excitation range produces a partially selective optical measurement. The instrument has been tested and characterized using fluorescent dyes: limits of detection (LOD) for 9,10-bis(phenylethynyl)-anthracene and rhodamine B were in the mid parts-per-trillion range; detection limits for the other compounds were in the low parts-per-billion range (< 5 ppb). The LED-EEMs were analyzed using parallel factor analysis (PARAFAC), which allowed the mathematical resolution of the individual contributions of the mono- and dianion fluorescein tautomers a priori. Correct identification and quantitation of six fluorescent dyes in two to six component mixtures (concentrations between 12.5 and 500 ppb) has been achieved with root mean squared errors of prediction (RMSEP) of less than 4.0 ppb for all components.

Convergence analysis of the alternating RGLS algorithm for the identification of the reduced complexity Volterra model.

PubMed

Laamiri, Imen; Khouaja, Anis; Messaoud, Hassani

2015-03-01

In this paper we provide a convergence analysis of the alternating RGLS (Recursive Generalized Least Square) algorithm used for the identification of the reduced complexity Volterra model describing stochastic non-linear systems. The reduced Volterra model used is the 3rd order SVD-PARAFC-Volterra model provided using the Singular Value Decomposition (SVD) and the Parallel Factor (PARAFAC) tensor decomposition of the quadratic and the cubic kernels respectively of the classical Volterra model. The Alternating RGLS (ARGLS) algorithm consists on the execution of the classical RGLS algorithm in alternating way. The ARGLS convergence was proved using the Ordinary Differential Equation (ODE) method. It is noted that the algorithm convergence canno׳t be ensured when the disturbance acting on the system to be identified has specific features. The ARGLS algorithm is tested in simulations on a numerical example by satisfying the determined convergence conditions. To raise the elegies of the proposed algorithm, we proceed to its comparison with the classical Alternating Recursive Least Squares (ARLS) presented in the literature. The comparison has been built on a non-linear satellite channel and a benchmark system CSTR (Continuous Stirred Tank Reactor). Moreover the efficiency of the proposed identification approach is proved on an experimental Communicating Two Tank system (CTTS). Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

Investigation of interpolation techniques for the reconstruction of the first dimension of comprehensive two-dimensional liquid chromatography-diode array detector data.

PubMed

Allen, Robert C; Rutan, Sarah C

2011-10-31

Simulated and experimental data were used to measure the effectiveness of common interpolation techniques during chromatographic alignment of comprehensive two-dimensional liquid chromatography-diode array detector (LC×LC-DAD) data. Interpolation was used to generate a sufficient number of data points in the sampled first chromatographic dimension to allow for alignment of retention times from different injections. Five different interpolation methods, linear interpolation followed by cross correlation, piecewise cubic Hermite interpolating polynomial, cubic spline, Fourier zero-filling, and Gaussian fitting, were investigated. The fully aligned chromatograms, in both the first and second chromatographic dimensions, were analyzed by parallel factor analysis to determine the relative area for each peak in each injection. A calibration curve was generated for the simulated data set. The standard error of prediction and percent relative standard deviation were calculated for the simulated peak for each technique. The Gaussian fitting interpolation technique resulted in the lowest standard error of prediction and average relative standard deviation for the simulated data. However, upon applying the interpolation techniques to the experimental data, most of the interpolation methods were not found to produce statistically different relative peak areas from each other. While most of the techniques were not statistically different, the performance was improved relative to the PARAFAC results obtained when analyzing the unaligned data. Copyright © 2011 Elsevier B.V. All rights reserved.

Characterization and Fate of Dissolved Organic Matter in the Lena Delta Region, Siberia

NASA Astrophysics Data System (ADS)

Goncalves-Araujo, R.; Stedmon, C. A.; Heim, B.; Dubinenkov, I.; Kraberg, A.; Moiseev, D.; Bracher, A.

2016-02-01

Connectivity between the terrestrial and marine environment in the Artic is changing as a result of climate change, influencing both freshwater budgets and the supply of carbon to the sea. This study characterizes the optical properties of dissolved organic matter (DOM) within the Lena Delta region and evaluates the behavior of DOM across the fresh water-marine gradient. Six fluorescent components (four humic-like; one marine humic-like; one protein-like) were identified by Parallel Factor Analysis (PARAFAC) with a clear dominance of allochthonous humic-like signals. Colored DOM (CDOM) and dissolved organic carbon (DOC) were highly correlated and had their distribution coupled with hydrographical conditions. Higher DOM concentration and degree of humification were associated with the low salinity waters of the Lena River. Values decreased towards the higher salinity Laptev Sea shelf waters. Results demonstrate different responses of DOM mixing in relation to the vertical structure of the water column, as reflecting the hydrographical dynamics in the region. Two mixing curves for DOM were apparent. In surface waters above the pycnocline there was a sharper decrease in DOM concentration in relation to salinity indicating removal. In the bottom water layer the DOM decrease within salinity was less. We propose there is a removal of DOM occurring primarily at the surface layer, which is likely driven by photodegradation and flocculation.

Effects of dissolved organic matter (DOM) sources and nature of solid extraction sorbent on recoverable DOM composition: Implication into potential lability of different compound groups.

PubMed

Chen, Meilian; Kim, Sunghwan; Park, Jae-Eun; Kim, Hyun Sik; Hur, Jin

2016-07-01

Noting the source-dependent properties of dissolved organic matter (DOM), this study explored the recoverable compounds by solid phase extraction (SPE) of two common sorbents (C18 and PPL) eluted with methanol solvent for contrasting DOM sources via fluorescence excitation-emission matrix coupled with parallel factor analysis (EEM-PARAFAC) and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). Fresh algae and leaf litter extracts DOM, one riverine DOM, and one upstream lacustrine DOM were selected for the comparison. C18 sorbent was generally found to extract more diverse molecular formula, relatively higher molecular weight, and more heteroatomic DOM compounds within the studied mass range than PPL sorbent except for the leaf litter extract. Even with the same sorbent, the main molecular features of the two end member DOM were distributed on different sides of the axes of a multivariate ordination, indicating the source-dependent characteristics of the recoverable compounds by the sorbents. In addition, further examination of the molecular formula uniquely present in the two end members and the upstream lake DOM suggested that proteinaceous, tannin-like, and heteroatomic DOM constituents might be potential compound groups which are labile and easily degraded during their mobilization into downstream watershed. This study provides new insights into the sorbent selectivity of DOM from diverse sources and potential lability of various compound groups.

Changes in the dissolved organic matter leaching from soil under severe temperature and N-deposition.

PubMed

Nguyen, Hang Vo-Minh; Choi, Jung Hyun

2015-06-01

In this study, we conducted growth chamber experiments using three types of soil (wetland, rice paddy, and forest) under the conditions of a severe increase in the temperature and N-deposition in order to investigate how extreme weather influences the characteristics of the dissolved organic matter (DOM) leaching from different soil types. This leachate controls the quantity and quality of DOM in surface water systems. After 5 months of incubation, the dissolved organic carbon (DOC) concentrations decreased in the range of 21.1 to 88.9 %, while the specific UV absorption (SUVA) values increased substantially in the range of 19.9 to 319.9 % for all of the samples. Higher increases in the SUVA values were observed at higher temperatures, whereas the opposite trend was observed for samples with N-addition. The parallel factor analysis (PARAFAC) results showed that four fluorescence components: terrestrial humic-like (component 1 (C1)), microbial humic-like (component 2 (C2)), protein-like (component 3 (C3)), and anthropogenic humic-like (component 4 (C4)) constituted the fluorescence matrices of soil samples. During the experiment, labile DOM from the soils was consumed and transformed into resistant aromatic carbon structures and less biodegradable components via microbial processes. The principle component analysis (PCA) results indicated that severe temperatures and N-deposition could enhance the contribution of the aromatic carbon compounds and humic-like components in the soil samples.

In-situ production of humic-like fluorescent dissolved organic matter during Cochlodinium polykrikoides blooms

NASA Astrophysics Data System (ADS)

Kwon, Hyeong Kyu; Kim, Guebuem; Lim, Weol Ae; Park, Jong Woo

2018-04-01

We investigated phytoplankton pigments, dissolved organic carbon (DOC), and fluorescent dissolved organic matter (FDOM) during the summers of 2013 and 2016 in the coastal area of Tongyeong, Korea, where Cochlodinium polykrikoides blooms often occur. The density of red tides was evaluated using a dinoflagellate pigment, peridinin. The concentrations of peridinin and DOC in the patch areas were 15- and 4-fold higher than those in the non-patch areas. The parallel factor analysis (PARAFAC) model identified one protein-like FDOM (FDOMT) and two humic-like FDOM, classically classified as marine FDOM (FDOMM) and terrestrial FDOM (FDOMC). The concentrations of FDOMT in the patch areas were 5-fold higher than those in the non-patch areas, likely associated with biological production. In general, FDOMM and FDOMC are known to be dependent exclusively on salinity in any surface waters of the coastal ocean. However, in this study, we observed strikingly enhanced FDOMC concentration over that expected from the salinity mixing, whereas FDOMM increases were not clear. These FDOMC concentrations showed a significant positive correlation against peridinin, indicating that the production of FDOMC is associated with the red tide blooms. Our results suggest that FDOMC can be naturally enriched by some phytoplankton species, without FDOMM enrichment. Such naturally produced FDOM may play a critical role in biological production as well as biogeochemical cycle in red tide regions.

Competitive interactions of anti-carcinogens with serum albumin: a spectroscopic study of bendamustine and dexamethasone with the aid of chemometrics.

PubMed

Wang, Yong; Zhu, Ruirui; Ni, Yongnian; Kokot, Serge

2014-04-05

Interactions between the anti-carcinogens, bendamustine (BDM) and dexamethasone (DXM), with bovine serum albumin (BSA) were investigated with the use of fluorescence and UV-vis spectroscopies under pseudo-physiological conditions (Tris-HCl buffer, pH 7.4). The static mechanism was responsible for the fluorescence quenching during the interactions; the binding formation constant of the BSA-BDM complex and the binding number were 5.14×10(5)Lmol(-1) and 1.0, respectively. Spectroscopic studies for the formation of BDM-BSA complex were interpreted with the use of multivariate curve resolution - alternating least squares (MCR-ALS), which supported the complex formation. The BSA samples treated with site markers (warfarin - site I and ibuprofen - site II) were reacted separately with BDM and DXM; while both anti-carcinogens bound to site I, the binding constants suggested that DXM formed a more stable complex. Relative concentration profiles and the fluorescence spectra associated with BDM, DXM and BSA, were recovered simultaneously from the full fluorescence excitation-emission data with the use of the parallel factor analysis (PARAFAC) method. The results confirmed that on addition of DXM to the BDM-BSA complex, the BDM was replaced and the DXM-BSA complex formed; free BDM was released. This finding may have consequences for the transport of these drugs during any anti-cancer treatment. Copyright © 2013 Elsevier B.V. All rights reserved.

Deepwater Horizon oil in Gulf of Mexico waters after 2 years: transformation into the dissolved organic matter pool.

PubMed

Bianchi, Thomas S; Osburn, Christopher; Shields, Michael R; Yvon-Lewis, Shari; Young, Jordan; Guo, Laodong; Zhou, Zhengzhen

2014-08-19

Recent work has shown the presence of anomalous dissolved organic matter (DOM), with high optical yields, in deep waters 15 months after the Deepwater Horizon (DWH) oil spill in the Gulf of Mexico (GOM). Here, we continue to use the fluorescence excitation-emission matrix (EEM) technique coupled with parallel factor analysis (PARAFAC) modeling, measurements of bulk organic carbon, dissolved inorganic carbon (DIC), oil indices, and other optical properties to examine the chemical evolution and transformation of oil components derived from the DWH in the water column of the GOM. Seawater samples were collected from the GOM during July 2012, 2 years after the oil spill. This study shows that, while dissolved organic carbon (DOC) values have decreased since just after the DWH spill, they remain higher at some stations than typical deep-water values for the GOM. Moreover, we continue to observe fluorescent DOM components in deep waters, similar to those of degraded oil observed in lab and field experiments, which suggest that oil-related fluorescence signatures, as part of the DOM pool, have persisted for 2 years in the deep waters. This supports the notion that some oil-derived chromophoric dissolved organic matter (CDOM) components could still be identified in deep waters after 2 years of degradation, which is further supported by the lower DIC and partial pressure of carbon dioxide (pCO2) associated with greater amounts of these oil-derived components in deep waters, assuming microbial activity on DOM in the current water masses is only the controlling factor of DIC and pCO2 concentrations.

Chromophoric Dissolved Organic Matter in Southwestern Greenland Lakes

NASA Astrophysics Data System (ADS)

Osburn, C. L.; Giles, M. E.; Underwood, G. J. C.

2014-12-01

Dissolved organic matter (DOM) is an important property of Arctic lake ecosystems, originating from allochthonous inputs from catchments and autochthonous production by plankton in the water column. Little is known about the quality of DOM in Arctic lakes that lack substantial inputs from catchments and such lakes are abundant in southwestern Greenland. Colored dissolved organic matter (CDOM), the fraction that absorbs ultraviolet (UV) and visible light, is the controlling factor for the optical properties of many surface waters and as well informs on the quality of DOM. We examined the quality of CDOM in 21 lakes in southwestern Greenland, from the ice sheet to the coast, as part of a larger study examining the role of DOM in regulating microbial communities in these lakes. DOM was size fractioned and absorbance and fluorescence was measured on each size fraction, as well as on bulk DOM. The specific ultraviolet absorbance (SUVA) at 254 nm (SUVA254), computed by normalizing absorption (a254) to dissolved organic carbon (DOC) concentration, provided an estimate of the aromatic carbon content of DOM. SUVA values were generally <2, indicating low aromatic content. Parallel factor analysis (PARAFAC) of CDOM fluorescence was used to determine the relative abundance of allochthonous and autochthonous DOM in all size fractions. Younger lakes near the ice sheet and lakes near the coast had lower amounts of CDOM and appeared more microbial in quality. However, lakes centrally located between the ice sheet and the coast had the highest CDOM concentrations and exhibited strong humic fluorescence. Overall distinct differences in CDOM quality were observed between lake locations and among DOM size fractions.

[Resolving characteristic of CDOM by excitation-emission matrix spectroscopy combined with parallel factor analysis in the seawater of outer Yangtze Estuary in Autumn in 2010].

PubMed

Yan, Li-Hong; Chen, Xue-Jun; Su, Rong-Guo; Han, Xiu-Rong; Zhang, Chuan-Song; Shi, Xiao-Yong

2013-01-01

The distribution and estuarine behavior of fluorescent components of chromophoric dissolved organic matter in the seawater of outer Yangtze Estuary were determined by fluorescence excitation emission matrix spectra combined with parallel factor analysis. Six individual fluorescent components were identified by PARAFAC models, including three terrestrial humic-like components C1 [330 nm/390(430) nm], C2 (390 nm/480 nm), C3 (360 nm/440 nm), marine biological production component C5 (300 nm/400 nm) and protein-like components C4 (290 nm/350 nm) and C6 (275 nm/300 nm). The results indicated that C1, C2, and C3 showed a conservative mixing behavior in the whole estuarine region, especially in high-salinity region. And the fluorescence intensity proportion of C1 and C3 decreased with increase of salinity and fluorescence intensity proportion of C2 kept constant with increase of salinity in the whole estuarine region. While C4 showed conservative mixing behavior in low-salinity region and non-conservative mixing behavior in high-salinity region, and fluorescence intensity proportion of C4 increased with increase of salinity. However, C5 and C6 showed a non-conservative mixing behavior and fluorescence intensity proportion increased with increase of salinity in high-salinity region. Significantly spatial difference was recorded for CDOM absorption coefficient in the coastal region and in the open water areas with the highest value in coastal region and the lowest value in the open water areas. The scope of absorption coefficient and absorption slope was higher in coastal region than that in the open water areas. Significantly positive correlations were found between CDOM absorption coefficient and the fluorescence intensities of C1, C2, C3, and C4, but no significant correlation was found between C5 and C6, suggesting that the river inputs contributed to the coastal areas, while CDOM in the open water areas was affected by terrestrial inputs and phytoplankton degradation.

Combination of a Copper-Ion Selective Electrode and Fluorometric Titration for the Determination of Copper(II) Ion Conditional Stability Constants of Humic Substances.

PubMed

Chen, Juan; Chen, Hao; Zhang, Xing-wen; Lei, Kun; Kenny, Jonathan E

2015-11-01

A fluorescence quenching model using copper(II) ion (Cu(2+)) ion selective electrode (Cu-ISE) is developed. It uses parallel factor analysis (PARAFAC) to model fluorescence excitation-emission matrices (EEMs) of humic acid (HA) samples titrated with Cu(2+) to resolve fluorescence response of fluorescent components to Cu(2+) titration. Meanwhile, Cu-ISE is employed to monitor free Cu(2+) concentration ([Cu]) at each titration step. The fluorescence response of each component is fit individually to a nonlinear function of [Cu] to find the Cu(2+) conditional stability constant for that component. This approach differs from other fluorescence quenching models, including the most up-to-date multi-response model that has a problematic assumption on Cu(2+) speciation, i.e., an assumption that total Cu(2+) present in samples is a sum of [Cu] and those bound by fluorescent components without taking into consideration the contribution of non-fluorescent organic ligands and inorganic ligands to speciation of Cu(2+). This paper employs the new approach to investigate Cu(2+) binding by Pahokee peat HA (PPHA) at pH values of 6.0, 7.0, and 8.0 buffered by phosphate or without buffer. Two fluorescent components (C1 and C2) were identified by PARAFAC. For the new quenching model, the conditional stability constants (logK1 and logK2) of the two components all increased with increasing pH. In buffered solutions, the new quenching model reported logK1 = 7.11, 7.89, 8.04 for C1 and logK2 = 7.04, 7.64, 8.11 for C2 at pH 6.0, 7.0, and 8.0, respectively, nearly two log units higher than the results of the multi-response model. Without buffer, logK1 and logK2 decreased but were still high (>7) at pH 8.0 (logK1 = 7.54, logK2 = 7.95), and all the values were at least 0.5 log unit higher than those (4.83 ~ 5.55) of the multi-response model. These observations indicate that the new quenching model is more intrinsically sensitive than the multi-response model in revealing strong fluorescent binding sites of PPHA in different experimental conditions. The new model was validated by testing it with a mixture of two fluorescing Cu(2+) chelating organic compounds, i.e., l-tryptophan and salicylic acid mixed with one non-fluorescent binding compound oxalic acid titrated with Cu(2+) at pH 5.0.

Influence of land use and land cover on the spatial variability of dissolved organic matter in multiple aquatic environments.

PubMed

Singh, Shatrughan; Dash, Padmanava; Silwal, Saurav; Feng, Gary; Adeli, Ardeshir; Moorhead, Robert J

2017-06-01

Water quality of lakes, estuaries, and coastal areas serves as an indicator of the overall health of aquatic ecosystems as well as the health of the terrestrial ecosystem that drains to the water body. Land use and land cover plays not only a significant role in controlling the quantity of the exported dissolved organic matter (DOM) but also influences the quality of DOM via various biogeochemical and biodegradation processes. We examined the characteristics and spatial distribution of DOM in five major lakes, in an estuary, and in the coastal waters of the Mississippi, USA, and investigated the influence of the land use and land cover of their watersheds on the DOM composition. We employed absorption and fluorescence spectroscopy including excitation-emission matrix (EEM) combined with parallel factor (PARAFAC) analysis modeling techniques to determine optical properties of DOM and its characteristics in this study. We developed a site-specific PARAFAC model to evaluate DOM characteristics resulting in five diverse DOM compositions that included two terrestrial humic-like (C1 and C3), two microbial humic-like (C2 and C5), and one protein-like (C4) DOM. Our results showed elevated fluorescence levels of microbial humic-like or protein-like DOM in the lakes and coastal waters, while the estuarine waters showed relatively high fluorescence levels of terrestrial humic-like DOM. The results also showed that percent forest and wetland coverage explained 68 and 82% variability, respectively, in terrestrial humic-like DOM exports, while 87% variability in microbially derived humiclike DOM was explained by percent agricultural lands. Strong correlations between microbial humic-like DOM and fluorescence-derived DOM indices such as biological index (BIX) and fluorescence index (FI) indicated autochthonous characteristics in the lakes, while the estuary showed largely allochthonous DOM of terrestrial origin. We also observed higher concentrations of total dissolved phosphorous (TDP) and ammonium nitrogen (NH 4 -N) in coastal waters potentially due to photodegradation of refractory DOM derived from the sediment-bound organic matter in the coastal wetlands. This study highlights the relationships between the DOM compositions in the water and the land use and land cover in the watershed. The spatial variability of DOM in three different types of aquatic environments enhances the understanding of the role of land use and land cover in carbon cycling through export of organic matter to the aquatic ecosystems..

Real Time Monitoring of Dissolved Organic Carbon Concentration and Disinfection By-Product Formation Potential in a Surface Water Treatment Plant with Simulaneous UV-VIS Absorbance and Fluorescence Excitation-Emission Mapping

NASA Astrophysics Data System (ADS)

Gilmore, A. M.

2015-12-01

This study describes a method based on simultaneous absorbance and fluorescence excitation-emission mapping for rapidly and accurately monitoring dissolved organic carbon concentration and disinfection by-product formation potential for surface water sourced drinking water treatment. The method enables real-time monitoring of the Dissolved Organic Carbon (DOC), absorbance at 254 nm (UVA), the Specific UV Absorbance (SUVA) as well as the Simulated Distribution System Trihalomethane (THM) Formation Potential (SDS-THMFP) for the source and treated water among other component parameters. The method primarily involves Parallel Factor Analysis (PARAFAC) decomposition of the high and lower molecular weight humic and fulvic organic component concentrations. The DOC calibration method involves calculating a single slope factor (with the intercept fixed at 0 mg/l) by linear regression for the UVA divided by the ratio of the high and low molecular weight component concentrations. This method thus corrects for the changes in the molecular weight component composition as a function of the source water composition and coagulation treatment effects. The SDS-THMFP calibration involves a multiple linear regression of the DOC, organic component ratio, chlorine residual, pH and alkalinity. Both the DOC and SDS-THMFP correlations over a period of 18 months exhibited adjusted correlation coefficients with r2 > 0.969. The parameters can be reported as a function of compliance rules associated with required % removals of DOC (as a function of alkalinity) and predicted maximum contaminant levels (MCL) of THMs. The single instrument method, which is compatible with continuous flow monitoring or grab sampling, provides a rapid (2-3 minute) and precise indicator of drinking water disinfectant treatability without the need for separate UV photometric and DOC meter measurements or independent THM determinations.

Microbial Transformation of Biomacromolecules in a Membrane Bioreactor: Implications for Membrane Fouling Investigation

PubMed Central

Zhou, Zhongbo; Meng, Fangang; Chae, So-Ryong; Huang, Guocheng; Fu, Wenjie; Jia, Xiaoshan; Li, Shiyu; Chen, Guang-Hao

2012-01-01

Background The complex characteristics and unclear biological fate of biomacromolecules (BMM), including colloidal and soluble microbial products (SMP), extracellular polymeric substances (EPS) and membrane surface foulants (MSF), are crucial factors that limit our understanding of membrane fouling in membrane bioreactors (MBRs). Findings In this study, the microbial transformation of BMM was investigated in a lab-scale MBR by well-controlled bioassay tests. The results of experimental measurements and mathematical modeling show that SMP, EPS, and MSF had different biodegradation behaviors and kinetic models. Based on the multi-exponential G models, SMP were mainly composed of slowly biodegradable polysaccharides (PS), proteins (PN), and non-biodegradable humic substances (HS). In contrast, EPS contained a large number of readily biodegradable PN, slowly biodegradable PS and HS. MSF were dominated by slowly biodegradable PS, which had a degradation rate constant similar to that of SMP-PS, while degradation behaviors of MSF-PN and MSF-HS were much more similar to those of EPS-PN and EPS-HS, respectively. In addition, the large-molecular weight (MW) compounds (>100 kDa) in BMM were found to have a faster microbial transformation rate compared to the small-MW compounds (<5 kDa). The parallel factor (PARAFAC) modeling of three-dimensional fluorescence excitation-emission matrix (EEM) spectra showed that the tryptophan-like PN were one of the major fractions in the BMM and they were more readily biodegradable than the HS. Besides microbial mineralization, humification and hydrolysis could be viewed as two important biotransformation mechanisms of large-MW compounds during the biodegradation process. Significance The results of this work can aid in tracking the origin of membrane foulants from the perspective of the biotransformation behaviors of SMP, EPS, and MSF. PMID:22912694

Impacts of biochar addition on soil dissolved organic matter characteristics in a wheat-maize rotation system in Loess Plateau of China.

PubMed

Zhang, Afeng; Zhou, Xu; Li, Ming; Wu, Haiming

2017-11-01

Biochar amendment in soil has the potential to sequester carbon, improve soil quality and mitigate greenhouse gas (GHG) emission in agriculture, but the impact of biochar amendments on dissolved organic matter (DOM) properties of soils in the fertilized agro-ecosystem has received little research attention. This study performed a long-term field experiment to assess the influence of biochar amendments (different addition rate: 4 t ha -1 and 8 t ha -1 ) on DOM characteristics in soils in wheat-maize rotation system in Loess Plateau of China by exploiting fluorescence excitation-emission spectrophotometry and parallel factor analysis (EEM-PARAFAC). Our results showed that the content of soil DOM was significantly influenced by the addition of biochar, and the higher biochar addition markedly increased the mean concentration of dissolved organic carbon (DOC) (from 83.99 mg kg -1 to 144.27 mg kg -1 ) in soils under the same fertilizer application. Three identified fluorescent components (fulvic acid-like, humic acid-like and tryptophan-like) were found, and fluorescence intensity of those components (especially humic-like material) was enhanced with the increasing DOC in the biochar treatments but the composition of DOM was not changed. These findings would be beneficial to understand the biochar's effects and processes in decreasing GHG emissions from soils. Copyright © 2017 Elsevier Ltd. All rights reserved.

Dynamic functional connectivity and individual differences in emotions during social stress.

PubMed

Tobia, Michael J; Hayashi, Koby; Ballard, Grey; Gotlib, Ian H; Waugh, Christian E

2017-12-01

Exposure to acute stress induces multiple emotional responses, each with their own unique temporal dynamics. Dynamic functional connectivity (dFC) measures the temporal variability of network synchrony and captures individual differences in network neurodynamics. This study investigated the relationship between dFC and individual differences in emotions induced by an acute psychosocial stressor. Sixteen healthy adult women underwent fMRI scanning during a social evaluative threat (SET) task, and retrospectively completed questionnaires that assessed individual differences in subjectively experienced positive and negative emotions about stress and stress relief during the task. Group dFC was decomposed with parallel factor analysis (PARAFAC) into 10 components, each with a temporal signature, spatial network of functionally connected regions, and vector of participant loadings that captures individual differences in dFC. Participant loadings of two networks were positively correlated with stress-related emotions, indicating the existence of networks for positive and negative emotions. The emotion-related networks involved the ventromedial prefrontal cortex, cingulate cortex, anterior insula, and amygdala, among other distributed brain regions, and time signatures for these emotion-related networks were uncorrelated. These findings demonstrate that individual differences in stress-induced positive and negative emotions are each uniquely associated with large-scale brain networks, and suggest that dFC is a mechanism that generates individual differences in the emotional components of the stress response. Hum Brain Mapp 38:6185-6205, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

CDOM Optical Properties and Connectivity in the Western Gulf of Alaska, the Unimak Pass and the Southeastern Bering Sea in the Spring During a Cold Year

NASA Astrophysics Data System (ADS)

D'Sa, E. J.; Goes, J. I.; Mouw, C. B.

2016-02-01

Flow through the Aleutian Passes connects the North Pacific to the Bering Sea with the Unimak Pass forming an important conduit for the flow of Gulf of Alaska water to the southeastern Bering shelf. While the biophysical properties have been studied for this region, little is known about the dissolved organic matter (DOM) and its optically active chromophoric component (CDOM) which play key roles in ocean color and several biogeochemical and photochemical processes. Dissolved organic carbon (DOC), and CDOM absorption and fluorescence properties were measured at locations in the western Gulf of Alaska, Unimak Pass and the southeastern Bering Sea in spring 2012, a relatively cold year as indicated by hydrographic field and satellite sea surface temperature data. DOC concentrations were on average higher in the western Gulf of Alaska (112.21 ± 20.05 µM) and Unimak Pass (106.14 ± 16.10 µM), than the southeastern Bering Sea shelf (73.28 ± 11.71 µM) suggesting Gulf of Alaska shelf water to be an important source of DOM to the eastern Bering Sea. Overall, CDOM absorption was relatively low while parallel factor (PARAFAC) analysis of DOM fluorescence identified two humic-like (terrestrial and marine) and one protein-like (tryptophan-like) component in the DOM pool. Relationships between the DOM optical properties and the physical regime will be further examined in this study.

Benthic flux of dissolved organic matter from lake sediment at different redox conditions and the possible effects of biogeochemical processes.

PubMed

Yang, Liyang; Choi, Jung Hyun; Hur, Jin

2014-09-15

The benthic fluxes of dissolved organic carbon (DOC), chromophoric and fluorescent dissolved organic matter (CDOM and FDOM) were studied for the sediment from an artificial lake, based on laboratory benthic chamber experiments. Conservative estimates for the benthic flux of DOC were 71 ± 142 and 51 ± 101 mg m(-2) day(-1) at hypoxic and oxic conditions, respectively. Two humic-like (C1 and C2), one tryptophan-like (C3), and one microbial humic-like (C4) components were identified from the samples using fluorescence excitation emission matrices and parallel factor analysis (EEM-PARAFAC). During the incubation period, C3 was removed while C4 was accumulated in the overlying water with no significant difference in the trends between the redox conditions. The humification index (HIX) increased with time. The combined results for C3, C4 and HIX suggested that microbial transformation may be an important process affecting the flux behaviors of DOM. In contrast, the overall accumulations of CDOM, C1, and C2 in the overlying water occurred only for the hypoxic condition, which was possibly explained by their enhanced photo-degradation and sorption to redox-sensitive minerals under the oxic condition. Our study demonstrated significant benthic flux of DOM in lake sediment and also the possible involvement of biogeochemical transformation in the processes, providing insight into carbon cycling in inland waters. Copyright © 2014 Elsevier Ltd. All rights reserved.

Biochar feedstock and pyrolysis temperature effects on leachate: DOC characteristics and nitrate losses from a Brazilian Cerrado Arenosol mixed with agricultural waste biochars.

PubMed

Speratti, Alicia B; Johnson, Mark S; Sousa, Heiriane Martins; Dalmagro, Higo J; Couto, Eduardo Guimarães

2018-04-01

Dissolved organic carbon (DOC) leached from Brazilian Cerrado Arenosols can lead to carbon (C) losses and lower soil fertility, while excessive nutrient, e.g. nitrate (NO 3 - ), leaching can potentially cause water contamination. As biochar has been shown to stabilize C and retain soil nutrients, a greenhouse experiment was conducted to test different biochars' contributions to DOC and NO 3 - leaching from a sandy soil. Biochars were made from four local agricultural waste feedstocks (cotton residue, swine manure, eucalyptus sawmill residue, sugarcane filtercake) pyrolysed at 400, 500 and 600 °C. Biochar was mixed with soil at 5% weight in pots and maize seeds planted. Leachate was collected weekly for six weeks and analyzed for DOC and NO 3 - concentrations, while fluorescence spectroscopy with parallel factor analysis (PARAFAC) was used to interpret DOC characteristics. Cotton and swine manure biochar treatments had higher DOC and NO 3 - losses than eucalyptus biochar, filtercake biochar, and control treatments. Cotton and swine manure biochar treatments at high temperatures lost mostly terrestrial, humified DOC, while swine manure, filtercake, and eucalyptus biochars at low temperatures lost mostly labile, microbially-derived DOC. Through the practical use of fluorescence spectroscopy, our study identified filtercake and eucalyptus biochars as most promising for retaining DOC and NO 3 - in a Cerrado Arenosol, potentially reducing stable C and nutrient losses. Copyright © 2018 Elsevier Ltd. All rights reserved.

Shift in the chemical composition of dissolved organic matter in the Congo River network

NASA Astrophysics Data System (ADS)

Lambert, Thibault; Bouillon, Steven; Darchambeau, François; Massicotte, Philippe; Borges, Alberto V.

2016-09-01

The processing of terrestrially derived dissolved organic matter (DOM) during downstream transport in fluvial networks is poorly understood. Here, we report a dataset of dissolved organic carbon (DOC) concentrations and DOM composition (stable carbon isotope ratios, absorption and fluorescence properties) acquired along a 1700 km transect in the middle reach of the Congo River basin. Samples were collected in the mainstem and its tributaries during high-water (HW) and falling-water (FW) periods. DOC concentrations and DOM composition along the mainstem were found to differ between the two periods because of a reduced lateral mixing between the central water masses of the Congo River and DOM-rich waters from tributaries and also likely because of a greater photodegradation during FW as water residence time (WRT) increased. Although the Cuvette Centrale wetland (one of the world's largest flooded forests) continuously releases highly aromatic DOM in streams and rivers of the Congo Basin, the downstream transport of DOM was found to result in an along-stream gradient from aromatic to aliphatic compounds. The characterization of DOM through parallel factor analysis (PARAFAC) suggests that this transition results from (1) the losses of aromatic compounds by photodegradation and (2) the production of aliphatic compounds by biological reworking of terrestrial DOM. Finally, this study highlights the critical importance of the river-floodplain connectivity in tropical rivers in controlling DOM biogeochemistry at a large spatial scale and suggests that the degree of DOM processing during downstream transport is a function of landscape characteristics and WRT.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolda, Tamara Gibson

We propose two new multilinear operators for expressing the matrix compositions that are needed in the Tucker and PARAFAC (CANDECOMP) decompositions. The first operator, which we call the Tucker operator, is shorthand for performing an n-mode matrix multiplication for every mode of a given tensor and can be employed to concisely express the Tucker decomposition. The second operator, which we call the Kruskal operator, is shorthand for the sum of the outer-products of the columns of N matrices and allows a divorce from a matricized representation and a very concise expression of the PARAFAC decomposition. We explore the properties ofmore » the Tucker and Kruskal operators independently of the related decompositions. Additionally, we provide a review of the matrix and tensor operations that are frequently used in the context of tensor decompositions.« less

Potential linkage between sediment oxygen demand and pore water chemistry in weir-impounded rivers.

PubMed

Lee, Mi-Hee; Jung, Heon-Jae; Kim, Sung-Han; An, Sung-Uk; Choi, Jung Hyun; Lee, Hyo-Jin; Huh, In-Ae; Hur, Jin

2018-04-01

Due to recent weir construction on four major rivers in South Korea, sediment has accumulated in the river bottom near the weirs, which has in turn raised concerns over the quality of overlying water. In this study, the seasonal and spatial variations of sediment oxygen demand (SOD) and the influencing factors were explored using pore water chemistry for the weir-impounded rivers. Muddy and sandy sediment samples were taken from 24 different sites along the four major rivers in summer and autumn, 2016. The SOD was measured in a laboratory based on 10-hour incubation at in situ temperature. The measured pore water chemistry included the concentrations of dissolved organic carbon (DOC), total dissolved nitrogen (TDN), inorganic nitrogen (NH 3 -N, NO 3 -N, NO 2 -N), and phosphate phosphorous (PO 4 -P), and the optical properties from UV absorption spectra and fluorescence excitation-emission matrixes coupled with parallel factor analysis (EEM-PARAFAC). Significant differences in SOD values between muddy and sandy sediments were found only in summer (p=0.047). The higher SOD in summer versus autumn (p=0.015) was attributed to seasonal temperature differences. The higher NH 3 -N and the lower NO 3 -N of the pore water samples in summer versus autumn suggested that organic nitrogen decomposition via an ammonification and nitrification process could operate as an important factor for the SOD variations in summer and autumn, respectively. Principal component analysis revealed the mutual contributions of nitrogen-associated processes and the organic composition in pore water to increasing SOD levels. NH 3 -N in sediment pore water alone could be a good predictor for SOD. However, multiple regression analysis using NH 3 -N, fluorescence index and terrestrial humic-like components improved the estimation capability for SOD variations. Copyright © 2017 Elsevier B.V. All rights reserved.

Use of fluorescence EEM to monitor the removal of emerging contaminants in full scale wastewater treatment plants.

PubMed

Sgroi, Massimiliano; Roccaro, Paolo; Korshin, Gregory V; Greco, Valentina; Sciuto, Sebastiano; Anumol, Tarun; Snyder, Shane A; Vagliasindi, Federico G A

2017-02-05

This study investigated the applicability of different techniques for fluorescence excitation/emission matrices data interpretations, including peak-picking method, fluorescence regional integration and PARAFAC modelling, to act as surrogates in predicting emerging trace organic compounds (ETOrCs) removal during conventional wastewater treatments that usually comprise primary and secondary treatments. Results showed that fluorescence indexes developed using alternative methodologies but indicative of a same dissolved organic matter component resulted in similar predictions of the removal of the target compounds. The peak index defined by the excitation/emission wavelength positions (λ ex/ λ em ) 225/290nm and related to aromatic proteins and tyrosine-like fluorescence was determined to be a particularly suitable surrogate for monitoring ETOrCs that had very high removal rates (average removal >70%) (i.e., triclosan, caffeine and ibuprofen). The peak index defined by λ ex/ λ em =245/440nm and the PARAFAC component with wavelength of the maxima λ ex/ λ em =245, 350/450, both identified as humic-like fluorescence, were found remarkably well correlated with ETOrCs such as atenolol, naproxen and gemfibrozil that were moderately removed (51-70% average removal). Finally, the PARAFAC component with wavelength of the maxima λ ex/ λ em =<240, 315/380 identified as microbial humic-like fluorescence was the only index correlated with the removal of the antibiotic trimethoprim (average removal 68%). Copyright © 2016 Elsevier B.V. All rights reserved.

Assessing factorial invariance of two-way rating designs using three-way methods

PubMed Central

Kroonenberg, Pieter M.

2015-01-01

Assessing the factorial invariance of two-way rating designs such as ratings of concepts on several scales by different groups can be carried out with three-way models such as the Parafac and Tucker models. By their definitions these models are double-metric factorially invariant. The differences between these models lie in their handling of the links between the concept and scale spaces. These links may consist of unrestricted linking (Tucker2 model), invariant component covariances but variable variances per group and per component (Parafac model), zero covariances and variances different per group but not per component (Replicated Tucker3 model) and strict invariance (Component analysis on the average matrix). This hierarchy of invariant models, and the procedures by which to evaluate the models against each other, is illustrated in some detail with an international data set from attachment theory. PMID:25620936

SandiaMRCR

DOE Office of Scientific and Technical Information (OSTI.GOV)

2012-01-05

SandiaMCR was developed to identify pure components and their concentrations from spectral data. This software efficiently implements the multivariate calibration regression alternating least squares (MCR-ALS), principal component analysis (PCA), and singular value decomposition (SVD). Version 3.37 also includes the PARAFAC-ALS Tucker-1 (for trilinear analysis) algorithms. The alternating least squares methods can be used to determine the composition without or with incomplete prior information on the constituents and their concentrations. It allows the specification of numerous preprocessing, initialization and data selection and compression options for the efficient processing of large data sets. The software includes numerous options including the definition ofmore » equality and non-negativety constraints to realistically restrict the solution set, various normalization or weighting options based on the statistics of the data, several initialization choices and data compression. The software has been designed to provide a practicing spectroscopist the tools required to routinely analysis data in a reasonable time and without requiring expert intervention.« less

Stream Dissolved Organic Matter Quantity and Quality Along a Wetland-Cropland Catchment Gradient

NASA Astrophysics Data System (ADS)

McDonough, O.; Hosen, J. D.; Lang, M. W.; Oesterling, R.; Palmer, M.

2012-12-01

Wetlands may be critical sources of dissolved organic matter (DOM) to stream networks. Yet, more than half of wetlands in the continental United States have been lost since European settlement, with the majority of loss attributed to agriculture. The degree to which agricultural loss of wetlands impacts stream DOM is largely unknown and may have important ecological implications. Using twenty headwater catchments on the Delmarva Peninsula (Maryland, USA), we investigated the seasonal influence of wetland and cropland coverage on downstream DOM quantity and quality. In addition to quantifying bulk downstream dissolved organic carbon (DOC) concentration, we used a suite of DOM UV-absorbance metrics and parallel factor analysis (PARAFAC) modeling of excitation-emission fluorescence spectra (EEMs) to characterize DOM composition. Percent bioavailable DOC (%BDOC) was measured during the Spring sampling using a 28-day incubation. Percent wetland coverage and % cropland within the watersheds were significantly negatively correlated (r = -0.93, p < 0.001). Results show that % wetland coverage was positively correlated with stream DOM concentration, molecular weight, aromaticity, humic-like fluorescence, and allochthonous origin. Conversely, increased wetland coverage was negatively correlated with stream DOM protein-like fluorescence. Percent BDOC decreased with DOM humic-like fluorescence and increased with protein-like fluorescence. We observed minimal seasonal interaction between % wetland coverage and DOM concentration and composition across Spring, Fall, and Winter sampling seasons. However, principal component analysis suggested more pronounced seasonal differences exist in stream DOM. This study highlights the influence of wetlands on downstream DOM in agriculturally impacted landscapes where loss of wetlands to cultivation may significantly alter stream DOM quantity and quality.

Differences in chewing sounds of dry-crisp snacks by multivariate data analysis

NASA Astrophysics Data System (ADS)

De Belie, N.; Sivertsvik, M.; De Baerdemaeker, J.

2003-09-01

Chewing sounds of different types of dry-crisp snacks (two types of potato chips, prawn crackers, cornflakes and low calorie snacks from extruded starch) were analysed to assess differences in sound emission patterns. The emitted sounds were recorded by a microphone placed over the ear canal. The first bite and the first subsequent chew were selected from the time signal and a fast Fourier transformation provided the power spectra. Different multivariate analysis techniques were used for classification of the snack groups. This included principal component analysis (PCA) and unfold partial least-squares (PLS) algorithms, as well as multi-way techniques such as three-way PLS, three-way PCA (Tucker3), and parallel factor analysis (PARAFAC) on the first bite and subsequent chew. The models were evaluated by calculating the classification errors and the root mean square error of prediction (RMSEP) for independent validation sets. It appeared that the logarithm of the power spectra obtained from the chewing sounds could be used successfully to distinguish the different snack groups. When different chewers were used, recalibration of the models was necessary. Multi-way models distinguished better between chewing sounds of different snack groups than PCA on bite or chew separately and than unfold PLS. From all three-way models applied, N-PLS with three components showed the best classification capabilities, resulting in classification errors of 14-18%. The major amount of incorrect classifications was due to one type of potato chips that had a very irregular shape, resulting in a wide variation of the emitted sounds.

Optical Proxies for Dissolved Organic Matter in Estuaries and Coastal Waters

NASA Astrophysics Data System (ADS)

Osburn, C. L.; Montgomery, M. T.; Boyd, T. J.; Bianchi, T. S.; Coffin, R. B.; Paerl, H. W.

2016-02-01

The flux of terrestrial dissolved organic carbon (DOC) into the coastal ocean from rivers and estuaries is a major part of the ocean's carbon cycle. Absorbing and fluorescing properties of chromophoric dissolved organic matter (CDOM) often are used to fingerprint its sources and to track fluxes of terrestrial DOM into the ocean. They also are used as proxies for organic matter to calibrate remote sensing observations from air and space and from in situ platforms. In general, strong relationships hold for large river dominated estuaries (e.g., the Mississippi River) but little is known about how widely such relationships can be developed in estuaries that have relatively small or multiple riverine inputs. Results are presented from a comparison of six diverse estuarine systems: the Atchafalaya River (ARE), the Mackenzie River (MRE), the Chesapeake Bay (CBE), Charleston Harbor (CHE), Puget Sound (PUG), and the Neuse River (NRE). Mean DOM concentrations ranged from 100 to 700 µM and dissolved lignin concentrations ranged from ca. 3-30 µg L-1. Overall trends were linear between CDOM measured at 350 nm (a350) and DOC concentration (R2=0.77) and between a350 and lignin (R2=0.87). Intercepts of a350 vs lignin were not significantly different from zero (P=0.43) suggesting that most of the CDOM was terrestrial in nature. Deviations from these regressions were strongest in the Neuse River Estuary, the most eutrophic of the six estuaries studied. After this calibration procedure, fluorescence modeling via parallel factor analysis (PARAFAC) was used to make estimates of terrigenous and planktonic DOC in these estuaries.

Pre-treatments, characteristics, and biogeochemical dynamics of dissolved organic matter in sediments: A review.

PubMed

Chen, Meilian; Hur, Jin

2015-08-01

Dissolved organic matter (DOM) in sediments, termed here sediment DOM, plays a variety of important roles in global biogeochemical cycling of carbon and nutrients as well as in the fate and transport of xenobiotics. Here we reviewed sediment DOM, including pore waters and water extractable organic matter from inland and coastal sediments, based on recent literature (from 1996 to 2014). Sampling, pre-treatment, and characterization methods for sediment DOM were summarized. The characteristics of sediment DOM have been compared along an inland to coastal ecosystems gradient and also with the overlying DOM in water column to distinguish the unique nature of it. Dissolved organic carbon (DOC) from inland sediment DOM was generally higher than coastal areas, while no notable differences were found for their aromaticity and apparent molecular weight. Fluorescence index (FI) revealed that mixed sources are dominant for inland sediment DOM, but marine end-member prevails for coastal sediment DOM. Many reports showed that sediments operate as a net source of DOC and chromophoric DOM (CDOM) to the water column. Sediment DOM has shown more enrichment of nitrogen- and sulfur-containing compounds in the elemental signature than the overlying DOM. Fluorescent fingerprint investigated by excitation-emission matrix coupled with parallel factor analysis (EEM-PARAFAC) further demonstrated the characteristics of sediment DOM lacking in the photo-oxidized and the intermediate components, which are typically present in the overlying surface water. In addition, the biogeochemical changes in sediment DOM and the subsequent environmental implications were discussed with the focus on the binding and the complexation properties with pollutants. Copyright © 2015 Elsevier Ltd. All rights reserved.

Environmental characteristics and changes of sediment pore water dissolved organic matter in four Chinese lakes.

PubMed

Mostofa, Khan M G; Li, Wen; Wu, Fengchang; Liu, Cong-Qiang; Liao, Haiqing; Zeng, Li; Xiao, Min

2018-01-01

Sediment pore waters were examined in four Chinese lakes (Bosten, Qinghai, Chenghai and Dianchi) to characterise the sources of dissolved organic matter (DOM) and their microbial changes in the sediment depth profiles. Parallel factor (PARAFAC) modelling on the sample fluorescence spectra confirmed that the pore water DOM was mostly composed of two components with a mixture of both allochthonous and autochthonous fulvic acid-like substances in three lakes, except Lake Dianchi, and protein-like components in Lake Bosten. However, DOM in Lake Dianchi was composed of three components, including a fulvic acid-like, and two unidentified components, which could originate from mixed sources of either sewerage-impacted allochthonous or autochthonous organic matter (OM). Dissolved organic carbon (DOC) concentrations were typically high (583-7410 μM C) and fluctuated and increased vertically in the depth profile. The fluorescence intensity of the fulvic acid-like substance and absorbance at 254 nm increased vertically in the sediment pore waters of three lakes. A significant relationship between DOC and the fluorescence intensity of the fulvic acid-like component in the sediment pore waters of three lakes, except Lake Dianchi, suggested that the fulvic acid-like component could significantly contribute to total DOM and could originate via complex microbial processes in early diagenesis on OM (ca. phytoplankton, terrestrial plant material) in these lakes. Pore water DOM components could therefore be a useful indicator to assess the DOM sources of the lake sediment during sedimentation over the past several decades, which have been heavily affected by ambient terrestrial vegetation and human activities.

Comparison of optical properties of chromophoric dissolved organic matter (CDOM) in alpine lakes above or below the tree line: insights into sources of CDOM.

PubMed

Su, Yaling; Chen, Feizhou; Liu, Zhengwen

2015-05-01

Here we investigated absorption and fluorescence properties of chromophoric dissolved organic matter (CDOM) in 15 alpine lakes located below or above the tree line to determine its source and composition. The results indicate that the concentrations of CDOM in below-tree-line lakes are significantly higher than in above-tree-line lakes, as evidenced from the absorption coefficients of a250 and a365. The intensities of the protein-like and humic-like fluorescence in below-tree-line lakes are higher than in above-tree-line lakes as well. Three fluorescent components were identified using parallel factor analysis (PARAFAC) modelling. Component 1 is probably associated with biological degradation of terrestrial humic component. The terrestrial humic-like component 2 is only found in below-tree-line lakes. The protein-like or phenolic component 3 is dominant in above-tree-line lakes, which is probably more derived from autochthonous origin. In this study, (1) higher a250/a365 and S275-295 values indicate smaller molecular weights of CDOM in above-tree-line lakes than in below-tree-line lakes, and smaller molecular weights at the surface than at 2.0 m depth; (2) SUVA254 and FI255 results provide evidence of lower percent aromaticity of CDOM in above-tree-line lakes; and (3) FI310 and FI370 suggest a strong allochthonous origin at the surface in below-tree-line lakes, and more contribution from autochthonous biological and aquatic bacterial origin in above-tree-line lakes.

[Fluorescence excitation-emission matrix spectroscopy of CDOM from Yundang Lagoon and its indication for organic pollution].

PubMed

Zhuo, Jian-Fu; Guo, Wei-Dong; Deng, Xun; Zhang, Zhi-Ying; Xu, Jing; Huang, Ling-Feng

2010-06-01

Fluorescence excitation-emission matrix spectroscopy (EEMs) combined with absorption spectroscopy were applied to study the optical properties of CDOM samples from highly-polluted Yundang Lagoon in Xiamen in order to demonstrate the feasibility of using these spectral properties as a tracer of the degree of organic pollution in similar polluted coastal waters. Surface water samples were collected from 13 stations 4 times during April and May, 2008. Parallel factor analysis (PARAFAC) model was used to resolve the EEMs of CDOM. Five separate fluorescent components were identified, including two humic-like components (C1: 240, 325/422 nm; C5: 260, 380/474 nm), two protein-like components (C2: 225, 275/350 nm; C4: 240, 300/354 nm) and one xenobiotic-like component (C3: 225/342 nm), which could be used as a good tracer for the input of the anthropogenic organic, pollutants. The concentrations of component C3 and dissolved organic carbon (DOC) are much higher near the inlet of sewage discharge, demonstrating that the discharge of surrounding sewage is a major source of organic pollutants in Yundang Lagoon. CDOM absorption coefficient alpha (280) and the score of humic-like component C1 showed significant linear relationships with COD(Mn), and a strong positive correlation was also found between the score of protein-like component C2 and BOD5. This suggested that the optical properties of CDOM may provide a fast in-situ way to monitor the variation of the water quality in Yundang Lagoon and that of similar polluted coastal waters.

Hydrologic Controls on In-Stream Optical Dissolved Organic Matter Characteristics in an Old-Growth Forest of the Oregon Cascades

NASA Astrophysics Data System (ADS)

Lajtha, K.; Lee, B. S.

2015-12-01

Dissolved organic matter (DOM) is a critical component of the carbon cycle linking terrestrial and aquatic ecosystems, yet DOM composition representative of DOM sources at headwater catchments in the western U.S is poorly understood. This study examined the effect of forest management history and hydrologic patterns on DOM chemistry at nine experimental watersheds located in the H.J. Andrews Long Term Ecological Research Experimental Forest of the Oregon Cascades. Stream water samples representing a three-week composite of each watershed were collected between May 2013 and February 2015 (32 events). DOM chemistry was characterized by examining UV and fluorescent properties of stream samples. Specific UV absorbance at 254 nm (SUVA254; Weishaar et al. 2003), generally indicative of aromaticity, showed the lowest value at the high elevation clear-cut site (watershed 6, 1,030 m) and the highest value at the low elevation clear-cut site (watershed 10, 680 m) throughout the study period. DOM fluorescent components, identified by this study using a multivariate statistical model, Parallel Factor Analysis (PARAFAC), did not differ significantly among experimental watersheds with varying forest management history. However, a protein-like DOM component exhibited temporal variations. Correlation analysis between the protein-like DOM and hydrologic patterns indicate that stream water during dry seasons come from protein-rich groundwater sources. This study shows UV and fluorescent spectroscopy DOM characterization is a viable finger printing method to detect DOM sources in pristine headwater streams at the western Cascades of Oregon where characterization of the stream water source with low DOC and DON concentrations is difficult.

Seasonal Changes of DOC Composition of Rivers in Temperate Monsoon Climates

NASA Astrophysics Data System (ADS)

Oh, N. H.; Shin, Y.; Lee, E. J.; Hur, J.

2014-12-01

The spatial and seasonal dynamics of dissolved organic carbon (DOC) composition and biodegradability were investigated for the five largest rivers in the Republic of Korea during the years 2012 - 2013 using dark incubation experiments and spectroscopic measurements, including parallel factor analysis (PARAFAC). The DOC concentrations of the rivers in relatively steep and forest-dominated basins were <~2 mg L-1, and remained relatively constant over the seasons. In contrast, those of the rivers influenced by urban and agricultural activities rose up to 5.4 mg L-1, which was decreased to ~2 mg L-1 during the summer monsoon period, indicating that increased precipitation had the effect of dilution. Among the fluorescence components, terrestrial humic-like components were dominant in all the rivers except for one, where tyrosine- or tryptophan-like compounds were the major component. However, terrestrial humic-like components became dominant in all five of the rivers after high precipitation which occurred during the monsoon season, during which ~76% of the annual precipitation was received. Considering that 64% of South Korea is forested, our results suggest that the forests could be a large source of riverine DOC, elevating the DOC loads during monsoon rainfall. Although more DOC could be degraded when DOC input increased, regardless of its sources, the percent biodegradability was reduced with increased proportions of terrestrially derived and aromatic compounds. These results suggest that the relatively stable and terrestrial humic-like compounds released during the monsoon rainfall could reduce the potential of microbial respiration of riverine DOC and evasion of river CO2 to the atmosphere, despite of the increase in the DOC load.

Multivariate analysis of organic acids in fermented food from reversed-phase high-performance liquid chromatography data.

PubMed

Mortera, Pablo; Zuljan, Federico A; Magni, Christian; Bortolato, Santiago A; Alarcón, Sergio H

2018-02-01

Multivariate calibration coupled to RP-HPLC with diode array detection (HPLC-DAD) was applied to the identification and the quantitative evaluation of the short chain organic acids (malic, oxalic, formic, lactic, acetic, citric, pyruvic, succinic, tartaric, propionic and α-cetoglutaric) in fermented food. The goal of the present study was to get the successful resolution of a system in the combined occurrence of strongly coeluting peaks, of distortions in the time sensors among chromatograms, and of the presence of unexpected compounds not included in the calibration step. Second-order HPLC-DAD data matrices were obtained in a short time (10min) on a C18 column with a chromatographic system operating in isocratic mode (mobile phase was 20mmolL -1 phosphate buffer at pH 2.20) and a flow-rate of 1.0mLmin -1 at room temperature. Parallel factor analysis (PARAFAC) and unfolded partial least-squares combined with residual bilinearization (U-PLS/RBL) were the second-order calibration algorithms select for data processing. The performance of the analytical parameters was good with an outstanding limit of detection (LODs) for acids ranging from 0.15 to 10.0mmolL -1 in the validation samples. The improved method was applied to the analysis of many dairy products (yoghurt, cultured milk and cheese) and wine. The method was shown as an effective means for determining and following acid contents in fermented food and was characterized by reducibility with simple, high resolution and rapid procedure without derivatization of analytes. Copyright © 2017 Elsevier B.V. All rights reserved.

Seasonal variations in dissolved organic matter composition using absorbance and fluorescence spectroscopy in the Dardanelles Straits - North Aegean Sea mixing zone

NASA Astrophysics Data System (ADS)

Pitta, Elli; Zeri, Christina; Tzortziou, Maria; Mousdis, George; Scoullos, Michael

2017-10-01

The Dardanelles Straits - North Aegean Sea mixing zone is the area where the less saline waters of Black Sea origin supply organic material to the oligotrophic Mediterranean Sea. The objective of this work was to assess the seasonal dynamics of dissolved organic matter (DOM) in this region based on the optical properties (absorbance and fluorescence). By combining excitation-emission fluorescence with parallel factor analysis (EEM-PARAFAC), four fluorescent components were identified corresponding to three humic - like components and one amino acid - like. The latter was dominant during all seasons. Chromophoric DOM (CDOM) and dissolved organic carbon (DOC) were found to be strongly coupled only in early spring when conservative conditions prevailed and the two water masses present (Black Sea Waters - BSW and Levantine Waters - LW) could be identified by their absorption coefficients (a300) and spectral slopes S275-295. In summer and autumn the relationships collapsed. During summer two features appear to dominate the dynamics of CDOM: i) photodegradation that acts as an important sink for both the absorbing DOM and the terrestrially derived fluorescent humic substances and ii) the release of marine humic like fluorescent substances from bacterial transformation of DOM. Autumn results revealed a source of fluorescent CDOM of high molecular weight, which was independent of water mass sources and related to particle and sedimentary processes. The removal of the amino acid-like fluorescence during autumn provided evidence that although DOC was found to accumulate under low inorganic nutrient conditions, dissolved organic nitrogenous compounds could serve as bacterial substrate.

Accumulation of humic-like and proteinaceous dissolved organic matter in zero-discharge aquaculture systems as revealed by fluorescence EEM spectroscopy.

PubMed

Yamin, G; Borisover, M; Cohen, E; van Rijn, J

2017-01-01

Recirculating aquaculture systems (RAS), offering many economic and fish husbandry benefits, are characterized by an accumulation of dissolved organic matter (DOM) and, specifically, humic substances (HS). As reported in a number of studies, HS may affect biological activity in both invertebrates and vertebrates. Given the accumulation of HS in RAS, it is therefore of great interest to characterize DOM and, specifically, its HS fraction in the RAS. The present study was aimed at characterizing long-term changes in fluorescent DOM composition in the culture water of RAS systems, which were operated in a novel, zero water exchange mode. Two such zero-discharge recirculating systems (ZDS) were examined: a freshwater system, stocked with hybrid tilapia (Oreochromis aureus x Oreochromis niloticus) and a marine system, stocked with gilthead seabream (Sparus aurata). Excitation-emission matrices (EEMs) of fluorescence, coupled with parallel factor analysis (PARAFAC), were used to characterize and quantify the different DOM components in the ZDS. In the culture water, one tryptophan-like and four HS-like components were identified. The fluorescence intensities of three of the HS-like components as well as the tryptophan-like component increased at comparable rates during ZDS operation while a much slower accumulation of these compounds was observed in a parallel operated, flow-through, freshwater aquarium. The ZDS examined in this study comprised a sludge digestion stage where a considerable accumulation of all fluorescent components was detected. A HS-like components and a tryptophan-like component in blood of tilapia from the freshwater ZDS were similar to components found in the culture water. Blood levels of both components were higher in fish cultured in the DOM-rich ZDS than in fish raised in the control, flow-through freshwater aquarium. Fluorescence of the HS-like component found in the fish blood increased also with time of ZDS operation. The finding that fish blood contains a HS-like fluorescent component may have important implications for the understanding of the physiological effects of HS in fish and the possible benefits of these substances in aquaculture. Copyright © 2016 Elsevier Ltd. All rights reserved.

Interactions between stepwise-eluted sub-fractions of fulvic acids and protons revealed by fluorescence titration combined with EEM-PARAFAC.

PubMed

Song, Fanhao; Wu, Fengchang; Guo, Fei; Wang, Hao; Feng, Weiying; Zhou, Min; Deng, Yanghui; Bai, Yingchen; Xing, Baoshan; Giesy, John P

2017-12-15

In aquatic environments, pH can control environmental behaviors of fulvic acid (FA) via regulating hydrolysis of functional groups. Sub-fractions of FA, eluted using pyrophosphate buffers with initial pHs of 3.0 (FA 3 ), 5.0 (FA 5 ), 7.0 (FA 7 ), 9.0 (FA 9 ) and 13.0 (FA 13 ), were used to explore interactions between the various, operationally defined, FA fractions and protons, by use of EEM-PARAFAC analysis. Splitting of peaks (FA 3 and FA 13 ), merging of peaks (FA 7 ), disappearance of peaks (FA 9 and FA 13 ), and red/blue-shifting of peaks were observed during fluorescence titration. Fulvic-like components were identified from FA 3 -FA 13 , and protein-like components were observed in fractions FA 9 and FA 13 . There primary compounds (carboxylic-like, phenolic-like, and protein-like chromophores) in PARAFAC components were distinguished based on acid-base properties. Dissociation constants (pK a ) for fulvic-like components with proton ranged from 2.43 to 4.13 in an acidic pH and from 9.95 to 11.27 at basic pH. These results might be due to protonation of di-carboxylate and phenolic functional groups. At basic pH, pK a values of protein-like components (9.77-10.13) were similar to those of amino acids. However, at acidic pH, pK a values of protein-like components, which ranged from 3.33 to 4.22, were 1-2units greater than those of amino acids. Results presented here, will benefit understanding of environmental behaviors of FA, as well as interactions of FA with environmental contaminants. Copyright © 2017 Elsevier B.V. All rights reserved.

Influence of DOM components, salinity, pH, nitrate, and bicarbonate on the indirect photodegradation of acetaminophen in simulated coastal waters.

PubMed

Bai, Ying; Cui, Zhengguo; Su, Rongguo; Qu, Keming

2018-04-18

The indirect photodegradation behaviors of acetaminophen (APAP) were investigated in the presence of four kinds of dissolved organic matter (DOM) and were also assessed in the presence of seawater components and conditions such as salinity, pH, nitrate and bicarbonate. The results showed three important findings: firstly, in the indirect photolysis of APAP, the contributions of 3 DOM*, ·OH and 1 O 2 were >85.0%, 2.3-9.9% and 0.8-2.6% at pH 8.0. Secondly, DOM was divided into four terrestrial humic-like components by Excitation-emission matrix spectroscopy (EEMs) combined with parallel factor analysis (PARAFAC). This study showed a good linearity between DOM fluorescence components and the indirect photodegradation of APAP (R 2  = 0.92) and the differences in photodegradation rates of APAP among various DOM solutions were due to the diverse compositions of DOM. Finally, salinity was an important factor influencing the removal of APAP, and the APAP photodegradation rate constants increased from (3.33 ± 0.07) × 10 -5 s -1 to (1.25 ± 0.05) × 10 -4 s -1 with increasing salinity. The increased pseudo-first-order rate constants for photolysis of APAP with increasing salinity, pH and nitrate were attributed to the enhanced generation of reactive intermediates (RI) and easier reactions between RI and APAP. The increased APAP removal rate constant with increasing bicarbonate was likely ascribed to the yield of ∙CO 3 - . This is the first report of the roles of DOM components and salinity on the indirect photolysis of APAP. These findings would be essential to predict the photochemical fate of APAP and would also allow for a better understanding of the environmental fate of other phenolic contaminants. Copyright © 2018 Elsevier Ltd. All rights reserved.

Multilinear analysis of Time-Resolved Laser-Induced Fluorescence Spectra of U(VI) containing natural water samples

NASA Astrophysics Data System (ADS)

Višňák, Jakub; Steudtner, Robin; Kassahun, Andrea; Hoth, Nils

2017-09-01

Natural waters' uranium level monitoring is of great importance for health and environmental protection. One possible detection method is the Time-Resolved Laser-Induced Fluorescence Spectroscopy (TRLFS), which offers the possibility to distinguish different uranium species. The analytical identification of aqueous uranium species in natural water samples is of distinct importance since individual species differ significantly in sorption properties and mobility in the environment. Samples originate from former uranium mine sites and have been provided by Wismut GmbH, Germany. They have been characterized by total elemental concentrations and TRLFS spectra. Uranium in the samples is supposed to be in form of uranyl(VI) complexes mostly with carbonate (CO32- ) and bicarbonate (HCO3- ) and to lesser extend with sulphate (SO42- ), arsenate (AsO43- ), hydroxo (OH- ), nitrate (NO3- ) and other ligands. Presence of alkaline earth metal dications (M = Ca2+ , Mg2+ , Sr2+ ) will cause most of uranyl to prefer ternary complex species, e.g. Mn(UO2)(CO3)32n-4 (n ɛ {1; 2}). From species quenching the luminescence, Cl- and Fe2+ should be mentioned. Measurement has been done under cryogenic conditions to increase the luminescence signal. Data analysis has been based on Singular Value Decomposition and monoexponential fit of corresponding loadings (for separate TRLFS spectra, the "Factor analysis of Time Series" (FATS) method) and Parallel Factor Analysis (PARAFAC, all data analysed simultaneously). From individual component spectra, excitation energies T00, uranyl symmetric mode vibrational frequencies ωgs and excitation driven U-Oyl bond elongation ΔR have been determined and compared with quasirelativistic (TD)DFT/B3LYP theoretical predictions to cross -check experimental data interpretation. Note to the reader: Several errors have been produced in the initial version of this article. This new version published on 23 October 2017 contains all the corrections.

[Spectral characteristics of dissolved organic matter released during the metabolic process of small medusa].

PubMed

Guo, Dong-Hui; Yi, Yue-Yuan; Zhao, Lei; Guo, Wei-Dong

2012-06-01

The metabolic processes of jellyfish can produce dissolved organic matter (DOM) which will influence the functioning of the aquatic ecosystems, yet the optical properties of DOM released by jellyfish are unknown. Here we report the absorption and fluorescence properties of DOM released by a medusa species Black fordia virginica during a 24 h incubation experiment. Compared with the control group, an obvious increase in the concentrations of dissolved organic carbon (DOC), absorption coefficient (a280) and total dissolved nitrogen (TDN) was observed in incubation group. This clearly demonstrated the release of DOM, chromophoric DOM (CDOM) and dissolved nutrients by B. virginica which feed on enough of Artemia sp. before the experiment. The increase in spectral slope ratio (SR) and decrease in humification index (HIX) indicated that the released DOM was less-humified and had relatively lower molecular weight. Parallel factor analysis (PARAFAC) decomposed the fluorescence matrices of DOM into three humic-like components (C1-C3) and one protein-like component (C4). The Fmax of two components (C2: < 250, 295/386 nm; C4: 275/334 nm) with the emission wavelength < 400 nm increased significantly during the metabolic process of B. virginica. However, the Fmax of the other two components with the emission wavelength > 400 nm showed little changes. Thus, we suggested a zooplankton index (ZIX) to trace and characterize the DOM excreted by metabolic activity of zooplankton, which is calculated as the ratio of the sum of Fmax of all fluorescence components with the emission wavelength < 400 nm to the sum of Fmax of the other components with the emission wavelength > 400 nm.

Limitations of fluorescence spectroscopy to characterize organic matter in engineered systems

NASA Astrophysics Data System (ADS)

Korak, J.

2017-12-01

Fluorescence spectroscopy has been widely used to characterize dissolved organic matter (DOM) in engineered systems, such as drinking water, municipal wastewater and industrial water treatment. While fluorescence data collected in water treatment applications has led to the development of strong empirical relationships between fluorescence responses and process performance, the use of fluorescence to infer changes in the underlying organic matter chemistry is often oversimplified and applied out of context. Fluorescence only measures a small fraction of DOM as fluorescence quantum yields are less than 5% for many DOM sources. Relying on fluorescence as a surrogate for DOM presence, character or reactivity may not be appropriate for systems where small molecular weight, hydrophilic constituents unlikely to fluoresce are important. In addition, some methods rely on interpreting fluorescence signals at different excitation wavelengths as a surrogate for operationally-defined humic- and fulvic-acids in lieu of traditional XAD fractionation techniques, but these approaches cannot be supported by other lines of evidence considering natural abundance and fluorescence quantum yields of these fractions. These approaches also conflict with parallel factor analysis (PARAFAC), a statistical approach that routinely identifies fluorescence components with dual excitation behavior. Lastly, methods developed for natural systems are often applied out of context to engineered systems. Fluorescence signals characteristic of phenols or indoles are often interpreted as indicators for biological activity in natural systems due to fluorescent amino acids and peptides, but this interpretation is may not be appropriate in engineering applications where non-biological sources of phenolic functional groups may be present. This presentation explores common fluorescence interpretation approaches, discusses the limitations and provides recommendations related to engineered systems.

Physical and chemical evolution of dissolved organic matter across the ablation season on a glacier in the central Tibet Plateau

NASA Astrophysics Data System (ADS)

Feng, L.; An, Y.; Xu, J.; Kang, S.; Xiaofei, L.

2017-12-01

The physical evolution (metamorphism) of snow is known to affect the chemical composition of dissolved organic matter (DOM) within it. Here we present a comprehensive study on the Dongkemadi glacier in the central Tibetan Plateau by collecting surface snow/ice samples from May to October 2015. The samples were grouped into four categories based on their physical descriptions, representing the different stages of the snowmelt (i.e., fresh snow, fine firn, coarse firn, and glacier ice). The concentrations of dissolved organic carbon (DOC) decreased from fresh snow (26.8 μmol L-1) to fine firn (15.0 μmol L-1) and enriched from fine firn to coarse firn (26.1 μmol L-1) and glacier ice (34.4 μmol L-1). This reflected the dynamic variation of DOC during the snowmelt. Excitation emission matrix fluorescence with parallel factor analysis (EEM-PARAFAC) identified three protein-like components (C1, C2 and C4) and one microbial humic-like component (C3), which indicated a significant microbially derived DOM in the surface snow/ice. Molecular level composition of DOM identified by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) also shown newly produced molecular during the snowmelt. These results suggest that the snowmelt could not only induce a loss of DOM but also intensified the in situ microbial activities that enriched and modified it. These findings are important in understanding the evolution of the physical and chemical characteristics of the DOM during the ablation season and shed some light on the nature of the biogeochemical cycles in cryospheric regions.

Terrestrially derived glomalin-related soil protein quality as a potential ecological indicator in a peri-urban watershed.

PubMed

Sui, Xueyan; Wu, Zhipeng; Lin, Chen; Zhou, Shenglu

2017-07-01

Glomalin, which sequesters substantial amounts of carbon, plays a critical role in sustaining terrestrial biome functions and contributes to the fate of many pollutants from terrestrial to aquatic ecosystems. Despite having focused on the amount of glomalin produced, very few attempts have been made to understand how landscapes and environmental conditions influence glomalin composition and characteristics. This study focused on glomalin-related soil protein (GRSP) exported as storm runoff including eroded sediment and water that was collected before flowing to surface waters in a peri-urban watershed. GRSP characteristics were assessed by Bradford protein analysis, fluorescence spectroscopy combined with parallel factor analysis (PARAFAC), and the determination of aromaticity based on the specific ultraviolet absorption value (280 nm) and molecular weight. General linear models (GLMs) was established by integrating microbial activity, land cover, water temperature, precipitation, and other solution chemical properties to explain the variations in GRSP characteristics. Results showed that a higher GRSP concentration in agricultural reference sites was produced in the form of specific materials with low molecular weight and aromaticity, as well as high percentage of C1 and C5 components which indicate microbial-processed sources, relative to urbanized and forested sites. Compared with forested land, urbanized land clearly produced runoff GRSP with low molecular weight and aromaticity, as well as more degradation of humic-like materials (C3 component). The highest GLM explaining 89% of the variables, including significant variables (p < 0.05) such as microbial activity, water temperature, and water conductivity, was observed for GRSP characteristics. Therefore, changes in eroded soil GRSP quality can serve as an indicator for improving watershed management and thus protecting aquatic ecosystems.

Chemical oxidation for mitigation of UV-quenching substances (UVQS) from municipal landfill leachate: Fenton process versus ozonation.

PubMed

Jung, Chanil; Deng, Yang; Zhao, Renzun; Torrens, Kevin

2017-01-01

UV-quenching substance (UVQS), as an emerging municipal solid waste (MSW)-derived leachate contaminant, has a potential to interfere with UV disinfection when leachate is disposed of at publicly owned treatment works (POTWs). The objective of this study was to evaluate and compare two chemical oxidation processes under different operational conditions, i.e. Fenton process and ozonation, for alleviation of UV 254 absorbance of a biologically pre-treated landfill leachate. Results showed that leachate UV 254 absorbance was reduced due to the UVQS decomposition by hydroxyl radicals (·OH) during Fenton treatment, or by ozone (O 3 ) and ·OH during ozonation. Fenton process exhibited a better treatment performance than ozonation under their respective optimal conditions, because ·OH could effectively decompose both hydrophobic and hydrophilic dissolved organic matter (DOM), but O 3 tended to selectively oxidize hydrophobic compounds alone. Different analytical techniques, including molecular weight (MW) fractionation, hydrophobic/hydrophilic isolation, UV spectra scanning, parallel factor (PARAFAC) analysis, and fluorescence excitation-emission matrix spectrophotometry, were used to characterize UVQS. After either oxidation treatment, residual UVQS was more hydrophilic with a higher fraction of low MW molecules. It should be noted that the removed UV 254 absorbance (ΔUV 254 ) was directly proportional to the removed COD (ΔCOD) for the both treatments (Fenton process: ΔUV 254  = 0.011ΔCOD; ozonation: ΔUV 254  = 0.016ΔCOD). A greater ΔUV 254 /ΔCOD was observed for ozonation, suggesting that oxidant was more efficiently utilized during ozonation than in Fenton treatment for mitigation of the UV absorbance. Copyright © 2016 Elsevier Ltd. All rights reserved.

The contribution of phytoplankton degradation to chromophoric dissolved organic matter (CDOM) in eutrophic shallow lakes: field and experimental evidence.

PubMed

Zhang, Yunlin; van Dijk, Mark A; Liu, Mingliang; Zhu, Guangwei; Qin, Boqiang

2009-10-01

Eight field campaigns in the eutrophic, shallow, Lake Taihu in the summers from 2005 to 2007, and a phytoplankton degradation experiment of 33 days, were carried out to determine the contribution of phytoplankton degradation to CDOM. Significant and positive correlations were found between the CDOM absorption coefficient at 355 nm [a(CDOM)(355)], normalized fluorescence emission (QSU) at 450 nm from excitation at 355 nm [F(n)(355)], and the chlorophyll a (Chla) concentration for all eight field campaigns, which indicates that the decomposition and degradation of phytoplankton is an important source of CDOM. In the degradation experiment, the CDOM absorption coefficient increased as phytoplankton broke down during the first 12 days, showing the production of CDOM from phytoplankton. After 12 days, a(CDOM)(355) had increased from the initial value 0.41+/-0.03 m(-1) to 1.37+/-0.03 m(-1) (a 234% increase), and the Chla concentration decreased from the initial value of 349.1+/-11.2 microg/L to 30.4+/-13.2 microg/L (a 91.3% decrease). The mean daily production rate of CDOM from phytoplankton was 0.08 m(-1) for a(CDOM)(355). Parallel Factor Analysis (PARAFAC) was used to assess CDOM composition from EEM spectra, and four components were identified: a terrestrial-like humic component, two marine-like humic components, and a protein-like component. The rapid increase in marine-like humic fluorophores (C3 and C4) during the degradation experiment suggests that in situ production of CDOM plays an important role in the dynamics of CDOM. The field campaigns and experimental data in the present study show that phytoplankton can be one of the important CDOM producers in eutrophic shallow lakes.

[Spectral characteristics variations of chromophoric dissolved organic matter during growth of filamentous green macroalgae].

PubMed

Jiang, De-gang; Huang, Qing-hui; Li, Jian-hua

2010-07-01

As an important component of dissolved organic matter (DOM), chromophoric dissolved organic matter (CDOM) plays a central role in the global biogeochemical carbon cycle. Macroalgae are essential producers in aquatic ecosystems. They can release a considerable part of photosynthetic products as CDOM. So changes in optical properties of CDOM are studied on filamentous green macroalgae-Chadophorasle found in tidal flats of a brackish Lake Beihu in natural field condition by using spectrometry. Humic-like fluorescence peaks and protein-like fluorescence peaks detected by fluorescence excitation-emission matrix spectrum (EEMS) change little in control experiment but increase dramatically in incubation experiment. Applying parallel factor analysis (PARAFAC) together with fluorescence excitation-emission matrix can get four components of CDOM (C1, C2, C3 and C4) which are relative to humic-like fluorescence peak A(C), M and protein-like fluorescence peak B, T respectively. In incubation experiment four components increase by 211.5%, 255.8%, 75.3% and 129.3% respectively while in control experiment components have little changes except C1 decreasing by 34.3%. Absorption coefficient alpha (355) increases by 92.9% and has positive significant correlation (P < 0.01) with the four components in incubation-experiment while alpha (355) decreases by 59.8% and only has correlation (P < 0.05) with C1 in control experiment. As the parameters representing CDOM molecular weight and composition, M and S values in incubation experiment are smaller than in control experiment, which illustrate that aromatic and macromolecular CDOM is produced in growth of Chadophorasle. All results indicate that growth of Chadophorasle can change the content and composition of CDOM.

Time-resolved and Depth-dependent Photo-Degradation of Marine Dissolved Organic Matter Analyzed by Semi-continuous EEM Fluorescence Monitoring

NASA Astrophysics Data System (ADS)

Gonsior, M.; Timko, S.; Conte, M. H.; Schmitt-Kopplin, P.

2016-02-01

Ten liter water samples were collected at the Bermuda Atlantic Time Series Station (BATS) at 200 m intervals down to a maximum depth of 4530 m and solid-phase extracted. The methanol extracts were dried and re-dissolved in pure water and then used to determine the time-resolved photo-degradation of marine dissolved organic matter to be able to determine kinetic data. Excitation Emission Matrix (EEM) fluorescence spectra were recorded every 20 minutes using a custom-built flow-through photo-degradation system during 20 h of solar simulated light exposure. The resulting EEM spectra were modeled using Parallel Factor Analysis (PARAFAC) and results revealed reproducible and significant changes in the photo-degradation of marine FDOM originating from different depths. A five component model was fitted and the terrestrial-like components showed the expected high photo-reactivity, but surprisingly, the traditional marine-like peak showed slight photo-production in the surface layer, which might be the reason for its prevalence in the open ocean. Surface ocean waters were depleted in the highly photo-degradable components while protein-like fluorescent components were enriched, which was in agreement with previous studies. Ultrahigh resolution mass spectrometry confirmed unique aliphatic molecular ions in the Surface Ocean and hydrogen-deficient molecules at depth. Multivariate statistical analyses revealed strong correlations between unsaturated/aromatic molecular ions and depth, where aliphatic molecular ions were more prevalent in the Surface Ocean and aromatic molecular ions at depth. Strong correlations were also found between hydrogen-deficient molecular ions and the humic-like fluorescent components. The rapid photo-degradation of the deep-sea FDOM and the surface oceans relative depletion of aromatic molecular ions suggested that deep-ocean FDOM may be too photochemically labile to survive meridional overturning circulation.

Seasonal Variation in Dissolved Organic Matter Composition and Photoreactivity within a Small Sub-arctic Stream.

NASA Astrophysics Data System (ADS)

Guerard, J.; Osborne, R.

2015-12-01

Dissolved organic matter (DOM) is a complex heterogeneous mixture, ubiquitous to all natural surface waters, uniquely composed of source inputs specific to spatial, temporal, and ecological circumstances. In arctic and sub-arctic regions, elucidating DOM composition and reactivity is complicated by seasonal variations. These include changes in productivity and source inputs to the water column, as well as winter overflow events that may contribute allochthonous organic material. DOM from a small boreal stream in a watershed of discontinuous permafrost in the Goldstream Valley of interior Alaska was isolated by solid-phase extraction (PPL) at multiple points during the year - late spring, late summer, and in the winter during an active overflow event. Compositional characteristics of each of the isolates were characterized by SPR-W5-WATERGATE 1H NMR spectroscopy, specific UV-Vis absorbance, and excitation emission matrix (EEM) fluorescence spectroscopy and compared against end-member reference DOM isolates. Kinetics of photobleaching experiments reveal the influence of compositional differences among the isolated DOMs on their chemical reactivity, and offer insight into potential differences in their source materials and ecological function throughout the year. Photobleaching studies were conducted using a variety of reactive species quenchers or sensitizers in order to assess susceptibility of oxidative transformation mechanisms on the different DOM isolates, which were then analyzed by 1H NMR, UV-Vis degradation kinetics, and parallel factor analysis (PARAFAC) of fluorescence EEMs. Better understanding of the seasonal variations of boreal DOM character and function on a molecular level is critical to assessing alterations in its ecological role and cycling in the face of current and future ecosystem perturbations in arctic and sub-arctic regions.

Further insight into the roles of the chemical composition of dissolved organic matter (DOM) on ultrafiltration membranes as revealed by multiple advanced DOM characterization tools.

PubMed

Ly, Quang Viet; Hur, Jin

2018-06-01

This study assessed the relative contributions of different constitutes in dissolved organic matter (DOM) with two different sources (i.e., urban river and effluent) to membrane fouling on three types of ultrafiltration (UF) membranes via excitation emission matrix - parallel factor analysis (EEM-PARAFAC), size exclusion chromatography (SEC), and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). Two polyethersulfone membranes with different pore sizes and one regenerated cellulose membrane were used as representative hydrophobic (HPO) and hydrophilic (HPI) UF membranes, respectively. Although size exclusion effect was found to be the most prevailing rejection mechanism, the behaviors of individual fluorescent components (one tryptophan-like, one microbial-humic-like, and terrestrial humic-like) and different size fractions upon the UF filtration revealed that chemical interactions (e.g., hydrophobic interactions and hydrogen bonding) between DOM and membrane might play important roles in UF membrane fouling, especially for small sized DOM molecules. Based on the molecular level composition determined by FT-ICR-MS, the CHOS formula group showed a greater removal tendency toward the HPO membrane, while the CHONS group was prone to be removed by the HPI membrane. The changes in the overall molecular composition of DOM upon UF filtration were highly dependent on the sources of DOM. The molecules of more acidic nature tended to remain in the permeate of effluent DOM, while the river DOM was shifted into more nitrogen-enriched composition after filtration. Regardless of the DOM sources, the HPO membrane with a smaller pore size led to the most pronounced changes in the molecular composition of DOM. Copyright © 2018 Elsevier Ltd. All rights reserved.

Distribution, Source and Fate of Dissolved Organic Matter in Shelf Seas

NASA Astrophysics Data System (ADS)

Carr, N.; Mahaffey, C.; Hopkins, J.; Sharples, J.; Williams, R. G.; Davis, C. E.

2016-02-01

Dissolved organic matter (DOM) is a complex array of molecules containing carbon (DOC), nitrogen (DON) and phosphorous (DOP), and represents the largest pool of organic matter in the marine environment. DOM in the sea originates from a variety of sources, including allochthonous inputs of terrestrial DOM from land via rivers, and autochthonous inputs through in-situ biotic processes that include phytoplankton exudation, grazing and cell lysis. Marine DOM is a substrate for bacterial growth and can act as a source of nutrients for autotrophs. However, a large component of DOM is biologically refractory. This pool is carbon-rich and nutrient-poor, and can transport and store its compositional elements over large areas and on long time scales. The role of DOM in the shelf seas is currently unclear, despite these regions acting as conduits between the land and open ocean, and also being highly productive ecosystems. Using samples collected across the Northwest European Shelf Sea, we studied the distribution, source, seasonality and potential fate of DOM using a combination of analytical tools, including analysis of amino acids, DOM absorbance spectra and excitation emission matrices, in conjunction with parallel factor analysis (PARAFAC). Strong cross shelf and seasonal gradients in DOM source and lability were found. We observed a strong seasonally dependent significant correlation between salinity and terrestrial DOM in the bottom mixed layer, an enrichment of DOM at the shelf edge in winter and a three-fold increase in fresh marine DOM coinciding with the timing of a spring bloom. Together, our findings illustrate the dynamic nature of DOM in shelf seas over a seasonal cycle and, highlight the potential for DOM to play a key role in the carbon cycle in these regions.

A potential approach for monitoring drinking water quality from groundwater systems using organic matter fluorescence as an early warning for contamination events.

PubMed

Stedmon, Colin A; Seredyńska-Sobecka, Bożena; Boe-Hansen, Rasmus; Le Tallec, Nicolas; Waul, Christopher K; Arvin, Erik

2011-11-15

The fluorescence characteristics of natural organic matter in a groundwater based drinking water supply plant were studied with the aim of applying it as a technique to identify contamination of the water supply. Excitation-emission matrices were measured and modeled using parallel factor analysis (PARAFAC) and used to identify which wavelengths provide the optimal signal for monitoring contamination events. The fluorescence was characterized by four components: three humic-like and one amino acid-like. The results revealed that the relative amounts of two of the humic-like components were very stable within the supply plant and distribution net and changed in a predictable fashion depending on which wells were supplying the water. A third humic-like component and an amino acid-like component did not differ between wells. Laboratory contamination experiments with wastewater revealed that combined they could be used as an indicator of microbial contamination. Their fluorescence spectra did not overlap with the other components and therefore the raw broadband fluorescence at the wavelengths specific to their fluorescence could be used to detect contamination. Contamination could be detected at levels equivalent to the addition of 60 μg C/L in drinking water with a TOC concentration of 3.3 mg C/L. The results of this study suggest that these types of drinking water systems, which are vulnerable to microbial contamination due to the lack of disinfectant treatment, can be easily monitored using online organic matter fluorescence as an early warning system to prompt further intensive sampling and appropriate corrective measures. Copyright © 2011 Elsevier Ltd. All rights reserved.

Evolution of molecular weight and fluorescence of effluent organic matter (EfOM) during oxidation processes revealed by advanced spectrographic and chromatographic tools.

PubMed

Chen, Zhiqiang; Li, Mo; Wen, Qinxue; Ren, Nanqi

2017-11-01

Effluent organic matter (EfOM) is an emerging concern to receiving aquatic environment due to its refractory property. The degradation of EfOM in ozonation and other two advanced oxidation processes (AOPs), UV/H 2 O 2 and UV/persulfate (PS), was investigated in this study. Fluorescence spectra coupled with parallel factor analysis (PARAFAC) and two-dimensional correlation gel permeation chromatography (2D-GPC) were used to track the evolution of EfOM during each oxidation process. Results showed that the degradation of EfOM indicated by dissolved organic carbon (DOC), UV 254 and fluorescence components, fitted well with pseudo-first-order kinetic model during the oxidation processes. Ozonation showed higher degradation efficiency than AOPs, while UV/PS was more effective than UV/H 2 O 2 with equimolar oxidants dosage. Ozone and SO· 4 - were more reactive with terrestrial humic-like substances, while hydroxyl radical preferentially reacted with protein-like substances. Organic molecules with higher molecular weight (MW) were susceptible to ozone or radicals. Ozonation could transform higher MW (MW of 3510 and 575) organic matters into lower MW organic matters (MW of 294), while reductions of all the organics were observed in both AOPs. Due to the higher reaction rates between ozone and EfOM, ozonation maybe serve as a pre-treatment for AOPs to reduce the radical and energy consumption and improve mineralization of EfOM by AOPs. The decline in DOC, UV 254 , fluorescence and reduction in oxidants increased with the increase of oxidants dosage, and linear correlations among them were found during the ozonation and AOPs. Copyright © 2017. Published by Elsevier Ltd.

Understanding aquatic microbial processes using EEM's and in-situ fluorescence sensors

NASA Astrophysics Data System (ADS)

Fox, Bethany; Attridge, John; Rushworth, Cathy; Cox, Tim; Anesio, Alexandre; Reynolds, Darren

2015-04-01

The diverse origin of dissolved organic matter (DOM) in aquatic systems is well documented within the literature. Previous literature indicates that coloured dissolved organic matter (CDOM) is, in part, transformed by aquatic microbial processes, and that dissolved organic material derived from a microbial origin exhibits tryptophan-like fluorescence. However, this phenomenon is not fully understood and very little data is available within the current literature. The overall aim of our work is to reveal the microbial-CDOM interactions that give rise to the observed tryptophan-like fluorescence. The work reported here investigates the microbial processes that occur within freshwater aquatic samples, as defined by the biochemical oxygen demand (BOD) test, as a function of the T1 peak (λex/em 280/330-370 nm). A series of standard water samples were prepared using glucose, glutamic acid, BOD dilution water and a bacterial seed (Cole-Parmer BOD microbe capsules). Samples were spiked with CDOM (derived from an environmental water body) and subjected to time resolved BOD analysis and as excitation-emission fluorescence spectroscopy. All EEM spectral data was interrogated using parallel factor analysis (PARAFAC) in an attempt to determine the presence and dominance (relative intensities) of the CDOM-related and T1-related fluorophores within the samples. In-situ fluorescence sensors (Chelsea Technologies Group Ltd.) were also used to monitor the T1 fluorescence peak (UviLux Tryptophan) and the CDOM fluorescence peak (UviLux CDOM) during experiments. Tryptophan-like fluorescence was observed (albeit transient) in both spiked and un-spiked standard water samples. By furthering our understanding of aquatic organic matter fluorescence, its origin, transformation, fate and interaction with aquatic microbiological processes, we aim to inform the design of a new generation in-situ fluorescence sensor for the monitoring of aquatic ecosystem health.

Hydrological changes of DOM composition and biodegradability of rivers in temperate monsoon climates

NASA Astrophysics Data System (ADS)

Shin, Yera; Lee, Eun-Ju; Jeon, Young-Joon; Hur, Jin; Oh, Neung-Hwan

2016-09-01

The spatial and hydrological dynamics of dissolved organic matter (DOM) composition and biodegradability were investigated for the five largest rivers in the Republic of Korea (South Korea) during the years 2012-2013 using incubation experiments and spectroscopic measurements, which included parallel factor analysis (PARAFAC). The lower reaches of the five rivers were selected as windows showing the integrated effects of basin biogeochemistry of different land use under Asian monsoon climates, providing an insight on consistency of DOM dynamics across multiple sites which could be difficult to obtain from a study on an individual river. The mean dissolved organic carbon (DOC) concentrations of the five rivers were relatively low, ranging from 1.4 to 3.4 mg L-1, due to the high slope and low percentage of wetland cover in the basin. Terrestrial humic- and fulvic-like components were dominant in all the rivers except for one, where protein-like compounds were up to ∼80%. However, terrestrial components became dominant in all five of the rivers after high precipitation during the summer monsoon season, indicating the strong role of hydrology on riverine DOM compositions for the basins under Asian monsoon climates. Considering that 64% of South Korea is forested, our results suggest that the forests could be a large source of riverine DOM, elevating the DOM loads during monsoon rainfall. Although more DOM was degraded when DOM input increased, regardless of its sources, the percent biodegradability was reduced with increased proportions of terrestrially derived aromatic compounds. The shift in DOM quality towards higher percentages of aromatic terrestrial compounds may alter the balance of the carbon cycle of coastal ecosystems by changing microbial metabolic processes if climate extremes such as heavy storms and typhoons become more frequent due to climate change.

Using Citizen Science for Water Quality Monitoring: Preaching the Message Beyond the Choir

NASA Astrophysics Data System (ADS)

Jollymore, A. J.

2015-12-01

Citizen science has emerged a means for augmenting the scope of research while educating the community. Environmental research has a particularly strong motivation for engagement, given its often-local context. We implemented a citizen science campaign to investigate relationships between land use and dissolved organic matter (DOM) in surface water environments proximal to Vancouver, British Columbia, Canada. Citizen science was intended to increase sampling breadth, and engage the community about human activities and water quality effects. Participants were given a sample kit and a simple sampling protocol; we then used fast and economic absorbance and fluorescence spectrophotometry to determine DOM concentration and composition. Participants, including individuals from over 10 municipalities and community organizations, submitted over 200 samples; these were compared to investigator-led sampling, as well as data mining existing sources, to verify results. Analyzing the fluorescence excitation-emission matrices (EEMs) with a five-component parallel factor (PARAFAC) model showed that samples from watersheds with increased urbanization had unique microbial-like peaks, suggesting variances in DOM lability and origins compared to more pristine watersheds. Community engagement was extended by making data available online in an interactive map, as well as by presenting the project to the public. Despite this, engagement occurred most with community organizations; these participants tended to have scientific training, with a higher knowledge baseline regarding their specific watershed and water quality issues generally. While this served scientific goals, our campaign was less successful at engaging citizens with less-developed scientific backgrounds. In this presentation we will discuss the merits and scientific milestones enabled by citizen science, and lessons learned about how to get beyond 'preaching to the choir' in crafting and implementing such projects.

Evaluating the ameliorative effect of natural dissolved organic matter (DOM) quality on copper toxicity to Daphnia magna: improving the BLM.

PubMed

Al-Reasi, Hassan A; Smith, D Scott; Wood, Chris M

2012-03-01

Various quality predictors of seven different natural dissolved organic matter (DOM) and humic substances were evaluated for their influence on protection of Daphnia magna neonates against copper (Cu) toxicity. Protection was examined at 3 and 6 mg l(-1) of dissolved organic carbon (DOC) of each DOM isolate added to moderately hard, dechlorinated water. Other water chemistry parameters (pH, concentrations of DOC, calcium, magnesium and sodium) were kept relatively constant. Predictors included absorbance ratios Abs(254/365) (index of molecular weight) and Abs-octanol(254)/Abs-water(254) (index of lipophilicity), specific absorption coefficient (SAC(340); index of aromaticity), and fluorescence index (FI; index of source). In addition, the fluorescent components (humic-like, fulvic-like, tryptophan-like, and tyrosine-like) of the isolates were quantified by parallel factor analysis (PARAFAC). Up to 4-fold source-dependent differences in protection were observed amongst the different DOMs. Significant correlations in toxicity amelioration were found with Abs(254/365), Abs-octanol(254)/Abs-water(254), SAC(340), and with the humic-like fluorescent component. The relationships with FI were not significant and there were no relationships with the tryptophan-like or tyrosine-like fluorescent components at 3 mg C l(-1), whereas a negative correlation was seen with the fulvic-like component. In general, the results indicate that larger, optically dark, more lipophilic, more aromatic DOMs of terrigenous origin, with higher humic-like content, are more protective against Cu toxicity. A method for incorporating SAC(340) as a DOM quality indicator into the Biotic Ligand Model is presented; this may increase the accuracy for predicting Cu toxicity in natural waters.

UV/PAR radiation and DOM properties in surface coastal waters of the Canadian shelf of the Beaufort Sea during summer 2009

NASA Astrophysics Data System (ADS)

Para, J.; Charrière, B.; Matsuoka, A.; Miller, W. L.; Rontani, J. F.; Sempéré, R.

2013-04-01

Surface waters from the Beaufort Sea in the Arctic Ocean were evaluated for dissolved organic carbon (DOC), and optical characteristics including UV (ultraviolet) radiation and PAR (photosynthetically active radiation) diffuse attenuation (Kd), and chromophoric and fluorescent dissolved organic matter (CDOM and FDOM) as part of the MALINA field campaign (30 July to 27 August). Spectral absorption coefficients (aCDOM (350 nm) (m-1)) were significantly correlated to both diffuse attenuation coefficients (Kd) in the UV-A and UV-B and to DOC concentrations. This indicates CDOM as the dominant attenuator of both UV and PAR solar radiation and suggests its use as an optical proxy for DOC concentrations in this region. While the Mackenzie input is the main driver of CDOM dynamics in low salinity waters, locally, primary production can create significant increases in CDOM. Extrapolating CDOM to DOC relationships, we estimate that ∼16% of the DOC in the Mackenzie River does not absorb radiation at 350 nm. The discharges of DOC and its chromophoric subset (CDOM) by the Mackenzie River during the MALINA cruise are estimated as ∼0.22 TgC and 0.18 TgC, respectively. Three dissolved fluorescent components (C1-C3) were identified by fluorescence excitation/emission matrix spectroscopy (EEMS) and parallel factor (PARAFAC) analysis. Our results showed an aquatic dissolved organic matter (DOM) component (C1), probably produced in the numerous lakes of the watershed, that co-dominated with a terrestrial humic-like component (C2) in the Mackenzie Delta Sector. This aquatic DOM could partially explain the high CDOM spectral slopes observed in the Beaufort Sea.

TENSOR DECOMPOSITIONS AND SPARSE LOG-LINEAR MODELS

PubMed Central

Johndrow, James E.; Bhattacharya, Anirban; Dunson, David B.

2017-01-01

Contingency table analysis routinely relies on log-linear models, with latent structure analysis providing a common alternative. Latent structure models lead to a reduced rank tensor factorization of the probability mass function for multivariate categorical data, while log-linear models achieve dimensionality reduction through sparsity. Little is known about the relationship between these notions of dimensionality reduction in the two paradigms. We derive several results relating the support of a log-linear model to nonnegative ranks of the associated probability tensor. Motivated by these findings, we propose a new collapsed Tucker class of tensor decompositions, which bridge existing PARAFAC and Tucker decompositions, providing a more flexible framework for parsimoniously characterizing multivariate categorical data. Taking a Bayesian approach to inference, we illustrate empirical advantages of the new decompositions. PMID:29332971

Simultaneous measurement of two enzyme activities using infrared spectroscopy: A comparative evaluation of PARAFAC, TUCKER and N-PLS modeling.

PubMed

Baum, Andreas; Hansen, Per Waaben; Meyer, Anne S; Mikkelsen, Jørn Dalgaard

2013-08-06

Enzymes are used in many processes to release fermentable sugars for green production of biofuel, or the refinery of biomass for extraction of functional food ingredients such as pectin or prebiotic oligosaccharides. The complex biomasses may, however, require a multitude of specific enzymes which are active on specific substrates generating a multitude of products. In this paper we use the plant polymer, pectin, to present a method to quantify enzyme activity of two pectolytic enzymes by monitoring their superimposed spectral evolutions simultaneously. The data is analyzed by three chemometric multiway methods, namely PARAFAC, TUCKER3 and N-PLS, to establish simultaneous enzyme activity assays for pectin lyase and pectin methyl esterase. Correlation coefficients Rpred(2) for prediction test sets are 0.48, 0.96 and 0.96 for pectin lyase and 0.70, 0.89 and 0.89 for pectin methyl esterase, respectively. The retrieved models are compared and prediction test sets show that especially TUCKER3 performs well, even in comparison to the supervised regression method N-PLS. Copyright © 2013 Elsevier B.V. All rights reserved.

Resolving the variability of CDOM fluorescence to differentiate the sources and fate of DOM in Lake Taihu and its tributaries.

PubMed

Yao, Xin; Zhang, Yunlin; Zhu, Guangwei; Qin, Boqiang; Feng, Longqing; Cai, Linlin; Gao, Guang

2011-01-01

Taihu Basin is the most developed area in China, which economic development has resulted in pollutants being produced and discharged into rivers and the lake. Lake Taihu is located in the center of the basin, which is characterized by a complex network of rivers and channels. To assess the sources and fate of dissolved organic matter (DOM) in surface waters, we determined the components and abundance of chromophoric dissolved organic matter (CDOM) within Lake Taihu and 66 of its tributaries, and 22 sites along transects from two main rivers. In Lake Taihu, there was a relative less spatial variation in CDOM absorption a(CDOM)(355) with a mean of 2.46 ± 0.69 m⁻¹ compared to the mean of 3.36 ± 1.77 m⁻¹ in the rivers. Two autochthonous tryptophan-like components (C1 and C5), two humic-like components (C2 and C3), and one autochthonous tyrosine-like component (C4) were identified using the parallel factor analysis (PARAFAC) model. The C2 and C3 had a direct relationship with a(CDOM)(355), dissolved organic carbon (DOC), and chemical oxygen demand (COD). The separation of lake samples from river samples, on both axes of the Principal Component Analysis (PCA), showed the difference in DOM fluorophores between these various environments. Components C1 and C5 concurrently showed positive factor 1 loadings, while C4 was close to the negative factor 1 axis. Components C2 and C3 showed positive second factor loadings. The major contribution of autochthonous tryptophan-like components to lake samples is due to the autochthonous production of CDOM in the lake ecosystems. The results also showed that the differences in geology and associated land use control CDOM dynamics, such as the high levels of CDOM with terrestrial characteristics in the northwestern upstream rivers and low levels of CDOM with increased microbial characteristics in the southwestern upstream rivers. Most of river samples from the downstream regions in the eastern and southeastern plains had a similar relative abundance of humic-like fluorescence, with less of the tryptophan-like and more of the tyrosine-like contributions than did samples from upstream regions. Copyright © 2010 Elsevier Ltd. All rights reserved.

Cation-induced coagulation of aquatic plant-derived dissolved organic matter: Investigation by EEM-PARAFAC and FT-IR spectroscopy

USDA-ARS?s Scientific Manuscript database

Interaction and coagulation of plant-derived dissolved organic matter (DOM) by metal cations are important biogeochemical processes of organic matter in lake systems. Thus, coagulation and fractionation of plant-derived DOM by di- and tri-valent Ca, Al, and Fe ions were investigated. Metal ion-induc...

Fluorescence characteristics and biodegradability of dissolved organic matter in forest and wetland soils from coastal temperate watersheds in southeast Alaska

Treesearch

Jason B. Fellman; David V. D' Amore; Eran Hood; Richard D. Boone

2008-01-01

Understanding how the concentration and chemical quality of dissolved organic matter (DOM) varies in soils is critical because DOM influences an array of biological, chemical, and physical processes. We used PARAFAC modeling of excitation-emission fluorescence spectroscopy, specific UV absorbance (SUVA254) and biodegradable dissolved organic...

Bayesian CP Factorization of Incomplete Tensors with Automatic Rank Determination.

PubMed

Zhao, Qibin; Zhang, Liqing; Cichocki, Andrzej

2015-09-01

CANDECOMP/PARAFAC (CP) tensor factorization of incomplete data is a powerful technique for tensor completion through explicitly capturing the multilinear latent factors. The existing CP algorithms require the tensor rank to be manually specified, however, the determination of tensor rank remains a challenging problem especially for CP rank . In addition, existing approaches do not take into account uncertainty information of latent factors, as well as missing entries. To address these issues, we formulate CP factorization using a hierarchical probabilistic model and employ a fully Bayesian treatment by incorporating a sparsity-inducing prior over multiple latent factors and the appropriate hyperpriors over all hyperparameters, resulting in automatic rank determination. To learn the model, we develop an efficient deterministic Bayesian inference algorithm, which scales linearly with data size. Our method is characterized as a tuning parameter-free approach, which can effectively infer underlying multilinear factors with a low-rank constraint, while also providing predictive distributions over missing entries. Extensive simulations on synthetic data illustrate the intrinsic capability of our method to recover the ground-truth of CP rank and prevent the overfitting problem, even when a large amount of entries are missing. Moreover, the results from real-world applications, including image inpainting and facial image synthesis, demonstrate that our method outperforms state-of-the-art approaches for both tensor factorization and tensor completion in terms of predictive performance.

Seasonal changes in the chemical quality and biodegradability of dissolved organic matter exported from soils to streams in coastal temperate rainforest watersheds

Treesearch

Jason B. Fellman; Eran Hood; David V. D' Amore; Richard T. Edwards; Dan White

2009-01-01

The composition and biodegradability of streamwater dissolved organic matter (DOM) varies with source material and degree of transformation. We combined PARAFAC modeling of fluorescence excitation-emission spectroscopy and biodegradable dissolved organic carbon (BDOC) incubations to investigate seasonal changes in the lability of DOM along a soil-stream continuum in...

Absorption and fluorescence properties of the eastern Bering Sea in the summer with special reference to the influence of a Cold Pool

NASA Astrophysics Data System (ADS)

D'Sa, E. J.; Goes, J. I.; Gomes, H.; Mouw, C.

2013-12-01

The absorption and fluorescence properties of chromophoric dissolved organic matter (CDOM) are reported for the inner shelf, slope waters and outer shelf regions of the eastern Bering Sea during the summer of 2008, when a warm, thermally stratified surface mixed layer lay over a Cold Pool (< 2 °C) that occupied the entire middle shelf. CDOM absorption at 355 nm (ag355) and its spectral slope (S) in conjunction with excitation emission matrix (EEM) fluorescence and parallel factor analysis (PARAFAC) revealed large variability in the characteristics of CDOM in different regions of the Bering Sea. PARAFAC analysis aided in the identification of three humic-like (components 1, 2 and 5) and two protein-like (a tyrosine-like component 3, and a tryptophan-like component 4) components. In the extensive shelf region, average absorption coefficients at 355 nm (ag355 m-1) and DOC concentrations (μM) were highest in the inner shelf (0.342 ± 0.11 m-1, 92.67 ± 14.60 μM) and lower in the middle (0.226 ± 0.05 m-1, 78.38 ± 10.64 μM) and outer (0.176 ± 0.05 m-1, 80.73 ± 18.11 μM) shelves, respectively. Mean spectral slopes S were elevated in the middle shelf (24.38 ± 2.25 μm-1) especially in the surface waters (26.87 ± 2.39 μm-1) indicating high rates of photodegradation in the highly stratified surface mixed layer, which intensified northwards in the northern middle shelf likely contributing to greater light penetration and to phytoplankton blooms at deeper depths. The fluorescent humic-like components 1, 2, and 5 were most elevated in the inner shelf most likely from riverine inputs. Measurements at depth in slope waters (> 250 m) revealed low values of ag355 (0.155 ± 0.03 m-1) and S (15.45 ± 1.78 μm-1) indicative of microbial degradation of CDOM in deep waters. DOC concentrations, however were not significantly different suggesting CDOM sources and sinks to be uncoupled from DOC. Along the productive "green belt" in the outer shelf/slope region, absorption and fluorescence properties indicated the presence of fresh and degraded autochthonous DOM. Near the Unimak Pass region of the Aleutian Islands, low DOC and ag355 (mean 66.99 ± 7.94 μM; 0.182 ± 0.05 m-1) and a high S (mean 25.95 ± 1.58 μm-1) suggested substantial photobleaching of the Alaska Coastal Waters, but high intensities of humic-like and protein-like fluorescence suggested sources of fluorescent DOM from coastal runoff and glacier melt waters during the summer. Although our data show that the CDOM photochemical environment of the Bering Sea is complex, our current information on its optical properties will aid in better understanding of the biogeochemical role of CDOM in carbon budgets in relation to the annual sea ice and phytoplankton dynamics, and to improved algorithms of ocean color remote sensing for this region.

3D tensor-based blind multispectral image decomposition for tumor demarcation

NASA Astrophysics Data System (ADS)

Kopriva, Ivica; Peršin, Antun

2010-03-01

Blind decomposition of multi-spectral fluorescent image for tumor demarcation is formulated exploiting tensorial structure of the image. First contribution of the paper is identification of the matrix of spectral responses and 3D tensor of spatial distributions of the materials present in the image from Tucker3 or PARAFAC models of 3D image tensor. Second contribution of the paper is clustering based estimation of the number of the materials present in the image as well as matrix of their spectral profiles. 3D tensor of the spatial distributions of the materials is recovered through 3-mode multiplication of the multi-spectral image tensor and inverse of the matrix of spectral profiles. Tensor representation of the multi-spectral image preserves its local spatial structure that is lost, due to vectorization process, when matrix factorization-based decomposition methods (such as non-negative matrix factorization and independent component analysis) are used. Superior performance of the tensor-based image decomposition over matrix factorization-based decompositions is demonstrated on experimental red-green-blue (RGB) image with known ground truth as well as on RGB fluorescent images of the skin tumor (basal cell carcinoma).

The impact of large river system on the signal of dissolved organic matter: a case study on the Changjiang (Yangtze River), China

NASA Astrophysics Data System (ADS)

xiaona, W.; Bao, H.; Wu, Y.

2013-12-01

As one of the largest river in the world, studying the properties of dissolved organic matter in Changjiang can help us reveal the change of terrestrial organic matter in typical large subtropical river system. Samples collected from mid-lower reaches of Changjiang and its main tributaries/lakes in July 2010 and August 2012 were analysed for dissolved organic carbon (DOC), dissolved lignin phenols and chromophoric dissolved organic carbon (CDOM). Based on the hydrological condition, both of the two cruises are in flood season, while the latter is extremely flood season. The hydrological condition can impact the signal of dissolved lignin phenols as well as DOC. The DOC concentration is similar for both the cruises, with an average of 139×21 μM in 2010 and 130×36 μM in 2012. But the dissolved lignin phenols show obvious difference, the concentration is 13.6×3.4 μg/L and 12.7×5.2 μg/L for the main stream and tributaries/lakes in 2010 respectively, but it decreases to 8.7×2.5 μg/L and 6.5×3.5 μg/L in 2012.The dissolved lignin phenols show positive correlation with DOC in August 2012, but no similar trend is observed in 2010. Excitation-emission matrix fluorescence spectroscopy combined with parallel factor analysis (EEMs-PARAFAC) decomposes the fluorescence matrices of CDOM into three humic-like (H1: 315(250)/400 nm, H2: 350(280)/460 nm, H3: 250/450~485 nm) and two protein-like (P1: 270/315 nm, P2: 285/350 nm) components. Good linear correlations are observed within three humic-like components and two protein-like components, indicating that the same types of components (humic-like or protein-like) have similar origin and geochemical behaviors. However, these two kinds of components show different tendency. The total content of dissolved lignin phenols is correlated with the absorption in 280 nm, indicating the optical property of CDOM is related to its structure. There are many factors impacting the composition of dissolved organic matter in large river system like Changjiang. We find the biomarkers have mutative geochemical behaviors in different hydrological conditions. The variation of biomarkers can reveal the alternation in hydrological factor.

Probing dissolved organic matter in the critical zone: a comparison between in situ sampling and aqueous soil extracts

NASA Astrophysics Data System (ADS)

Perdrial, J. N.; Perdrial, N.; Harpold, A. A.; Peterson, A. M.; Vasquez, A.; Chorover, J.

2011-12-01

Analyzing dissolved organic matter (DOM) of soil solution constitutes an integral activity in critical zone science as important insights to nutrient and carbon cycling and mineral weathering processes can be gained. Soil solution can be obtained by a variety of approaches such as by in situ zero-tension and tension samplers or by performing soil extracts in the lab. It is generally preferred to obtain soil solution in situ with the least amount of disturbance. However, in water limited environments, such as in southwestern US, in situ sampling is only possible during few hydrologic events and soil extracts are often employed. In order to evaluate the performance of different sampling approaches for OM analysis, results from aqueous soil extracts were compared with in situ samples obtained from suction cups and passive capillary wick samplers (PCAP's). Soil from an OA-horizon of mixed conifer forest Jemez River Basin Critical Zone Observatory (JRB-CZO) in NM was sampled twice and in situ samples from co-located suction cups and PCAPs were collected 7 times during the 2011 snowmelt period. Dissolved organic carbon and nitrogen concentrations (DOC and DN) as well as OM quality (FTIR, fluorescence spectroscopy and PARAFAC) were analyzed. The aqueous soil extracts (solid:solution = 1:5 mass basis) showed highest DOC and lowest DN concentrations whereas samples collected in-situ had lower DOC and higher DN concentrations. PARAFAC analysis using a four component model showed a dominance of fluorescence in region I and II (protein-like fluorescence) for samples collected in situ indicating the presence of more bio-molecules (proteins). In contrast, the dominant PARAFAC component of the soil extract was found in region 3 (fulvic acid-like fluorescence). FTIR analysis showed high intensity band at 1600 cm-1 in the case of the aqueous soil extract that correspond to asymmetric stretching of carboxyl groups. These preliminary results indicate that aqueous soil extracts likely lead to the underestimation of the amount of biomolecules and the overestimation of fulvic acid contents of soil solutions.

Integrative Analysis of Transcription Factor Combinatorial Interactions Using a Bayesian Tensor Factorization Approach

PubMed Central

Ye, Yusen; Gao, Lin; Zhang, Shihua

2017-01-01

Transcription factors play a key role in transcriptional regulation of genes and determination of cellular identity through combinatorial interactions. However, current studies about combinatorial regulation is deficient due to lack of experimental data in the same cellular environment and extensive existence of data noise. Here, we adopt a Bayesian CANDECOMP/PARAFAC (CP) factorization approach (BCPF) to integrate multiple datasets in a network paradigm for determining precise TF interaction landscapes. In our first application, we apply BCPF to integrate three networks built based on diverse datasets of multiple cell lines from ENCODE respectively to predict a global and precise TF interaction network. This network gives 38 novel TF interactions with distinct biological functions. In our second application, we apply BCPF to seven types of cell type TF regulatory networks and predict seven cell lineage TF interaction networks, respectively. By further exploring the dynamics and modularity of them, we find cell lineage-specific hub TFs participate in cell type or lineage-specific regulation by interacting with non-specific TFs. Furthermore, we illustrate the biological function of hub TFs by taking those of cancer lineage and blood lineage as examples. Taken together, our integrative analysis can reveal more precise and extensive description about human TF combinatorial interactions. PMID:29033978

Integrative Analysis of Transcription Factor Combinatorial Interactions Using a Bayesian Tensor Factorization Approach.

PubMed

Ye, Yusen; Gao, Lin; Zhang, Shihua

2017-01-01

Transcription factors play a key role in transcriptional regulation of genes and determination of cellular identity through combinatorial interactions. However, current studies about combinatorial regulation is deficient due to lack of experimental data in the same cellular environment and extensive existence of data noise. Here, we adopt a Bayesian CANDECOMP/PARAFAC (CP) factorization approach (BCPF) to integrate multiple datasets in a network paradigm for determining precise TF interaction landscapes. In our first application, we apply BCPF to integrate three networks built based on diverse datasets of multiple cell lines from ENCODE respectively to predict a global and precise TF interaction network. This network gives 38 novel TF interactions with distinct biological functions. In our second application, we apply BCPF to seven types of cell type TF regulatory networks and predict seven cell lineage TF interaction networks, respectively. By further exploring the dynamics and modularity of them, we find cell lineage-specific hub TFs participate in cell type or lineage-specific regulation by interacting with non-specific TFs. Furthermore, we illustrate the biological function of hub TFs by taking those of cancer lineage and blood lineage as examples. Taken together, our integrative analysis can reveal more precise and extensive description about human TF combinatorial interactions.

Seasonal and downstream alterations of dissolved organic matter and dissolved inorganic ions in a human-impacted mountainous tributary of the Yellow River, China.

PubMed

Zhang, Shurong; Bai, Yijuan; Wen, Xin; Ding, Aizhong; Zhi, Jianhui

2018-04-22

Human activities impose important disturbances on both organic and inorganic chemistry in fluvial systems. In this study, we investigated the intra-annual and downstream variations of dissolved organic carbon (DOC), dissolved organic matter (DOM) excitation-emission matrix fluorescence (EEM) with parallel factor analysis (PARAFAC), major ions, and dissolved inorganic nitrogen (DIN) species in a mountainous tributary of the Yellow River, China. Both DOM quantity and quality, as represented by DOC and DOM fluorescence respectively, changed spatially and seasonally in the studied region. Fluorescence intensity of tryptophan-like components (C3) were found much higher at the populated downstream regions than in the undisturbed forested upstream regions. Seasonally, stronger fluorescence intensity of protein-like components (C3 and C4) was observed in the low-flow period (December) and in the medium-flow period (March) than in the high-flow period (May), particularly for the downstream reaches, reflecting the dominant impacts of wastewater pollution in the downstream regions. In contrast to the protein-like fluorescence, humic-like fluorescence components C1 and C2 exhibited distinctly higher intensity in the high-flow period with smaller spatial variation indicating strong flushing effect of increasing water discharge on terrestrial-sourced humic-like materials in the high-flow period. Pollution-affected dissolved inorganic ions, particularly Na + , Cl - , and NH 4 + -N, showed similar spatial and seasonal variations with protein-like fluorescence of DOM. The significant positive correlations between protein-like fluorescence of DOM and pollution-affected ions, particularly Na + , Cl - , and NH 4 + -N, suggested that there were similar pollution sources and transportation pathways of both inorganic and organic pollutants in the region. The combination of DOM fluorescence properties and inorganic ions could provide an important reference for the pollution source characterization and river basin management.

Terrestrial dissolved organic matter distribution in the North Sea.

PubMed

Painter, Stuart C; Lapworth, Dan J; Woodward, E Malcolm S; Kroeger, Silke; Evans, Chris D; Mayor, Daniel J; Sanders, Richard J

2018-07-15

The flow of terrestrial carbon to rivers and inland waters is a major term in the global carbon cycle. The organic fraction of this flux may be buried, remineralized or ultimately stored in the deep ocean. The latter can only occur if terrestrial organic carbon can pass through the coastal and estuarine filter, a process of unknown efficiency. Here, data are presented on the spatial distribution of terrestrial fluorescent and chromophoric dissolved organic matter (FDOM and CDOM, respectively) throughout the North Sea, which receives organic matter from multiple distinct sources. We use FDOM and CDOM as proxies for terrestrial dissolved organic matter (tDOM) to test the hypothesis that tDOM is quantitatively transferred through the North Sea to the open North Atlantic Ocean. Excitation emission matrix fluorescence and parallel factor analysis (EEM-PARAFAC) revealed a single terrestrial humic-like class of compounds whose distribution was restricted to the coastal margins and, via an inverse salinity relationship, to major riverine inputs. Two distinct sources of fluorescent humic-like material were observed associated with the combined outflows of the Rhine, Weser and Elbe rivers in the south-eastern North Sea and the Baltic Sea outflow to the eastern central North Sea. The flux of tDOM from the North Sea to the Atlantic Ocean appears insignificant, although tDOM export may occur through Norwegian coastal waters unsampled in our study. Our analysis suggests that the bulk of tDOM exported from the Northwest European and Scandinavian landmasses is buried or remineralized internally, with potential losses to the atmosphere. This interpretation implies that the residence time in estuarine and coastal systems exerts an important control over the fate of tDOM and needs to be considered when evaluating the role of terrestrial carbon losses in the global carbon cycle. Copyright © 2018 The Author(s). Published by Elsevier B.V. All rights reserved.

Applications of Fluorescence Spectroscopy for dissolved organic matter characterization in wastewater treatment plants

NASA Astrophysics Data System (ADS)

Goffin, Angélique; Guérin, Sabrina; Rocher, Vincent; Varrault, Gilles

2016-04-01

Dissolved organic matter (DOM) influences wastewater treatment plants efficiency (WTTP): variations in its quality and quantity can induce a foaming phenomenon and a fouling event inside biofiltration processes. Moreover, in order to manage denitrification step (control and optimization of the nitrate recirculation), it is important to be able to estimate biodegradable organic matter quantity before biological treatment. But the current methods used to characterize organic matter quality, like biological oxygen demand are laborious, time consuming and sometimes not applicable to directly monitor organic matter in situ. In the context of MOCOPEE research program (www.mocopee.com), this study aims to assess the use of optical techniques, such as UV-Visible absorbance and more specifically fluorescence spectroscopy in order to monitor and to optimize process efficiency in WWTP. Fluorescence excitation-emission matrix (EEM) spectroscopy was employed to prospect the possibility of using this technology online and in real time to characterize dissolved organic matter in different effluents of the WWTP Seine Centre (240,000 m3/day) in Paris, France. 35 sewage water influent samples were collected on 10 days at different hours. Data treatment were performed by two methods: peak picking and parallel factor analysis (PARAFAC). An evolution of DOM quality (position of excitation - emission peaks) and quantity (intensity of fluorescence) was observed between the different treatment steps (influent, primary treatment, biological treatment, effluent). Correlations were found between fluorescence indicators and different water quality key parameters in the sewage influents. We developed different multivariate linear regression models in order to predict a variety of water quality parameters by fluorescence intensity at specific excitation-emission wavelengths. For example dissolved biological oxygen demand (r2=0,900; p<0,0001) and ammonium concentration (r2=0,898; p<0,0001) present good correlation with specific fluorescence peaks and indicators. These indicators derived from 3D spectrofluorescence could be used in order to characterize DOM online and thus to optimize process efficiency in WWTP.

Seasonal variation in chromophoric dissolved organic matter and relationships among fluorescent components, absorption coefficients and dissolved organic carbon in the Bohai Sea, the Yellow Sea and the East China Sea

NASA Astrophysics Data System (ADS)

Zhu, Wen-Zhuo; Zhang, Hong-Hai; Zhang, Jing; Yang, Gui-Peng

2018-04-01

The absorption coefficient and fluorescent components of chromophoric dissolved organic matter (CDOM) in the Bohai Sea (BS), Yellow Sea (YS), and East China Sea (ECS) in spring and autumn were analyzed in this study. Excitation-emission matrices (EEMs) combined with parallel factor analysis (PARAFAC) identified three components, namely, humic-like C1, tyrosine-like C2 and tryptophan-like C3. The seasonal variations in the vertical patterns of the CDOM absorption coefficient (aCDOM(355)) and fluorescent components were influenced by the seasonal water mass except for the terrestrial input. The relationship between aCDOM(355) and dissolved organic matter (DOC) was attributed to their own mixing behavior. The correlation of the fluorescent components with DOC was disturbed by other non-conservative processes during the export of CDOM to the open ocean. The different chemical compositions and origins of DOC and CDOM led to variability in carbon-specific CDOM absorption (a*CDOM(355)) and fluorescent component ratios (ICn/IC1). The relationship between a*CDOM(355) and aCDOM(355) demonstrated that dissolved organic matter (DOM) in the BS, but not in the ECS, highly contributed non-absorbing DOC to the total DOC concentration. The photodegradation of dominant terrestrially derived CDOM in the ECS contributed to the positive relationship between a*CDOM(355) and ICn/IC1. By contrast, the abundant autochthonous CDOM in the YS was negatively correlated with ICn/IC1 in autumn. Our established box models showed that water exchange is a potentially important source of the aromatic components in the BS, YS, and ECS. Hence, the seasonal variations in water exchange might contribute to the variability of CDOM chemical composition in the BS, YS, and ECS, and significantly influence the structure and function of their ecosystems.

A global hotspot for dissolved organic carbon in hypermaritime watersheds of coastal British Columbia

NASA Astrophysics Data System (ADS)

Oliver, Allison A.; Tank, Suzanne E.; Giesbrecht, Ian; Korver, Maartje C.; Floyd, William C.; Sanborn, Paul; Bulmer, Chuck; Lertzman, Ken P.

2017-08-01

The perhumid region of the coastal temperate rainforest (CTR) of Pacific North America is one of the wettest places on Earth and contains numerous small catchments that discharge freshwater and high concentrations of dissolved organic carbon (DOC) directly to the coastal ocean. However, empirical data on the flux and composition of DOC exported from these watersheds are scarce. We established monitoring stations at the outlets of seven catchments on Calvert and Hecate islands, British Columbia, which represent the rain-dominated hypermaritime region of the perhumid CTR. Over several years, we measured stream discharge, stream water DOC concentration, and stream water dissolved organic-matter (DOM) composition. Discharge and DOC concentrations were used to calculate DOC fluxes and yields, and DOM composition was characterized using absorbance and fluorescence spectroscopy with parallel factor analysis (PARAFAC). The areal estimate of annual DOC yield in water year 2015 was 33.3 Mg C km-2 yr-1, with individual watersheds ranging from an average of 24.1 to 37.7 Mg C km-2 yr-1. This represents some of the highest DOC yields to be measured at the coastal margin. We observed seasonality in the quantity and composition of exports, with the majority of DOC export occurring during the extended wet period (September-April). Stream flow from catchments reacted quickly to rain inputs, resulting in rapid export of relatively fresh, highly terrestrial-like DOM. DOC concentration and measures of DOM composition were related to stream discharge and stream temperature and correlated with watershed attributes, including the extent of lakes and wetlands, and the thickness of organic and mineral soil horizons. Our discovery of high DOC yields from these small catchments in the CTR is especially compelling as they deliver relatively fresh, highly terrestrial organic matter directly to the coastal ocean. Hypermaritime landscapes are common on the British Columbia coast, suggesting that this coastal margin may play an important role in the regional processing of carbon and in linking terrestrial carbon to marine ecosystems.

Molecular characterization of dissolved organic matter (DOM): a critical review.

PubMed

Nebbioso, Antonio; Piccolo, Alessandro

2013-01-01

Advances in water chemistry in the last decade have improved our knowledge about the genesis, composition, and structure of dissolved organic matter, and its effect on the environment. Improvements in analytical technology, for example Fourier-transform ion cyclotron (FT-ICR) mass spectrometry (MS), homo and hetero-correlated multidimensional nuclear magnetic resonance (NMR) spectroscopy, and excitation emission matrix fluorimetry (EEMF) with parallel factor (PARAFAC) analysis for UV-fluorescence spectroscopy have resulted in these advances. Improved purification methods, for example ultrafiltration and reverse osmosis, have enabled facile desalting and concentration of freshly collected DOM samples, thereby complementing the analytical process. Although its molecular weight (MW) remains undefined, DOM is described as a complex mixture of low-MW substances and larger-MW biomolecules, for example proteins, polysaccharides, and exocellular macromolecules. There is a general consensus that marine DOM originates from terrestrial and marine sources. A combination of diagenetic and microbial processes contributes to its origin, resulting in refractory organic matter which acts as carbon sink in the ocean. Ocean DOM is derived partially from humified products of plants decay dissolved in fresh water and transported to the ocean, and partially from proteinaceous and polysaccharide material from phytoplankton metabolism, which undergoes in-situ microbial processes, becoming refractory. Some of the DOM interacts with radiation and is, therefore, defined as chromophoric DOM (CDOM). CDOM is classified as terrestrial, marine, anthropogenic, or mixed, depending on its origin. Terrestrial CDOM reaches the oceans via estuaries, whereas autochthonous CDOM is formed in sea water by microbial activity; anthropogenic CDOM is a result of human activity. CDOM also affects the quality of water, by shielding it from solar radiation, and constitutes a carbon sink pool. Evidence in support of the hypothesis that part of marine DOM is of terrestrial origin, being the result of a long-term carbon sedimentation, has been obtained from several studies discussed herein.

Absorption and fluorescence properties of chromophoric dissolved organic matter: implications for the monitoring of water quality in a large subtropical reservoir.

PubMed

Liu, Xiaohan; Zhang, Yunlin; Shi, Kun; Zhu, Guangwei; Xu, Hai; Zhu, Mengyuan

2014-12-01

The development of techniques for real-time monitoring of water quality is of great importance for effectively managing inland water resources. In this study, we first analyzed the absorption and fluorescence properties in a large subtropical reservoir and then used a chromophoric dissolved organic matter (CDOM) fluorescence monitoring sensor to predict several water quality parameters including the total nitrogen (TN), total phosphorus (TP), chemical oxygen demand (COD), dissolved organic carbon (DOC), and CDOM fluorescence parallel factor analysis (PARAFAC) components in the reservoir. The CDOM absorption coefficient at 254 nm (a(254)), the humic-like component (C1), and the tryptophan-like component (C3) decreased significantly along a gradient from the northwest to the lake center, northeast, southwest, and southeast region in the reservoir. However, no significant spatial difference was found for the tyrosine-like component (C2), which contributed only four marked peaks. A highly significant linear correlation was found between the a(254) and CDOM concentration measured using the CDOM fluorescence sensor (r(2) = 0.865, n = 76, p < 0.001), indicating that CDOM concentrations could act as a proxy for the CDOM absorption coefficient measured in the laboratory. Significant correlations were also found between the CDOM concentration and TN, TP, COD, DOC, and the maximum fluorescence intensity of C1, suggesting that the real-time monitoring of CDOM concentrations could be used to predict these water quality parameters and trace the humic-like fluorescence substance in clear aquatic ecosystems with DOC <2 mg/L and total suspended matter (TSM) concentrations <15 mg/L. These results demonstrate that the CDOM fluorescence sensor is a useful tool for on-line water quality monitoring if the empirical relationship between the CDOM concentration measured using the CDOM fluorescence sensor and the water quality parameters is calibrated and validated.

Application of Chromophoric Dissolved Organic Matter Absorbance and Excitation-Emission Matrix Fluorescence Spectra (EEMS) to Investigate Clay-Organic Matter Flocculation Processes in Riverine-Estuarine Systems

NASA Astrophysics Data System (ADS)

Smith, J. P.; Reed, A. H.; Boyd, T. J.

2016-12-01

Changes in hydrodynamic shear, variations in ionic strength (salinity), and to a lesser degree pH, along the salinity gradient influences clay-organic matter (OM) flocculation, disaggregation and particle size distributions with depth in natural river-estuarine waters. The scale and rate of aggregation and disaggregation of specific clay-OM flocs assemblages under different hydrodynamic and physiochemical conditions in estuaries or coastal river systems is an area of ongoing research. Chromophoric dissolved organic matter (CDOM) is the fraction of the DOM pool that absorbs and/or emits light at discrete wavelengths when excited. The CDOM absorbance and Excitation Emission Matrix (EEM) fluorescence spectra in natural waters can potentially be used to investigate clay-OM interactions and implications for formation kinetics, size, strength, and settling velocities of cohesive particulate aggregates (flocs and suspended sediments) as they respond to hydrodynamic shear under different physiochemical conditions. Size characteristics of particulate matter and sediment samples collected from the Misa River in Italy in 2014 were compared to the optical properties of the water column to identify potential OM components/constituents influencing flocculation processes in riverine-estuarine systems. The EEMs results were coupled with a parallel factor analysis (PARAFAC) model to associate previously identified EEMS regions of CDOM components to those found in the waters of this study and identify the main OM components/constituents influencing the multi-way variance of the EEMS data. Initial results from the Misa River and subsequent studies show a difference in dominant DOM types by salinity, clay-OM composition, and flow conditions that may be indicative of system specific particle flocculation and disaggregation under different hydrodynamic regimes. These results suggest that the CDOM absorbance and EEMS fluorescence spectra in natural waters can potentially be used to qualify the influence of OM on the flocculation and sedimentation of clay particulates in river-estuarine systems under different physiochemical and hydrodynamic conditions.

Potential rainfall-intensity and pH-driven shifts in the apparent fluorescent composition of dissolved organic matter in rainwater.

PubMed

Zhou, Yongqiang; Yao, Xiaolong; Zhang, Yibo; Shi, Kun; Zhang, Yunlin; Jeppesen, Erik; Gao, Guang; Zhu, Guangwei; Qin, Boqiang

2017-05-01

Perturbations of rainwater chromophoric dissolved organic matter (CDOM) fluorescence induced by changes in rainfall intensity and pH were investigated by field observations and laboratory pH titrations. Microbial humic-like fluorophores dominated the rainwater CDOM pool, followed by tryptophan-like and tyrosine-like substances. Increased rainfall intensity had notable dilution effects on all six fluorescent components (C1-C6) identified using parallel factor (PARAFAC) analysis, the effect being especially pronounced for the microbial humic-like C1, tryptophan-like C3, and tyrosine-like C5. The results also indicated that increasing pH from 7 to 9 led to decreased fluorescence intensity (F max ) of all the six components, while a pH increase from 5 to 7, resulted in increasing F max of terrestrial humic-like C2, tyrosine-like C5, and tryptophan-like C6 and decreasing microbial humic-like C1, tryptophan-like C3, and fulvic-like C4. Two-dimensional correlation spectroscopy (2D-COS) demonstrated that synchronous fluorescence responded first to pH modifications at fulvic-like wavelength (λ Ex /λ Em  = ∼316/416 nm), followed by tyrosine-like wavelength (λ Ex /λ Em  = ∼204/304 nm), tryptophan-like wavelength (λ Ex /λ Em  = ∼226/326 nm), microbial humic-like wavelength (∼295/395 nm), and finally terrestrial humic-like wavelength (∼360/460 nm). Our results suggest that a decrease in areas affected by acid rain in South China occurring at present may possibly result in apparent compositional changes of CDOM fluorescence. The decreased rainfall in South-West China and increased rainfall in North-West China during the past five decades may possibly accordingly result in increased and decreased F max of all the six components identified in South-West and North-West China, respectively. Copyright © 2017 Elsevier Ltd. All rights reserved.

Changes in the quality of chromophoric dissolved organic matter leached from senescent leaf litter during the early decomposition.

PubMed

Nishimura, Satoshi; Maie, Nagamitsu; Baba, Mitsuhisa; Sudo, Takahiro; Sugiura, Toshihiro; Shima, Eikichi

2012-01-01

Chromophoric dissolved organic matter (CDOM) leached from leaf litter is a major source of humus in mineral soil of forest ecosystems. While their functions and refractoriness depend on the physicochemical structure, there is little information on the quality of CDOM, especially for that leached in the very early stages of litter decomposition when a large amount of dissolved organic matter (DOM) is leached. This study aimed to better understand the variations/changes in the composition of CDOM leached from senescent leaf litter from two tree species during the early stage of decomposition. Leaf litter from a conifer tree (Japanese cedar, D. Don) and a deciduous broad-leaved tree (Konara oak, Thunb.) were incubated in columns using simulated rainfall events periodically for a total of 300 d at 20°C. The quality of CDOM was investigated based on the fluorescence properties by using a combination of excitation-emission matrix fluorescence (EEM) and parallel factor analysis (PARAFAC). In addition, the phenolic composition of DOM was investigated at a molecular level by thermally assisted hydrolysis and methylation-gas chromatography-mass spectrometry (THM-GC-MS) in the presence of tetramethylammonium hydroxide (TMAH). The EEM was statistically decomposed into eight fluorescence components (two tannin/peptide-like peaks, one protein-like peak, and five humic-like peaks). A significant contribution of tannin/peptide-like peaks was observed at the beginning of incubation, but these peaks decreased quickly and humic-like peaks increased within 1 mo of incubation. The composition of humic-like peaks was different between tree species and changed over the incubation period. Since tannin-derived phenolic compounds were detected in the DOM collected after 254 d of incubation on THM-GC-MS, it was suggested that tannins partially changed its structure, forming various humic-like peaks during the early decomposition. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Dissolved Organic Carbon Cycling and Transformation Dynamics in A Northern Forested Peatland

NASA Astrophysics Data System (ADS)

Tfaily, M. M.; Lin, X.; Chanton, P. R.; Steinweg, J.; Esson, K.; Kostka, J. E.; Cooper, W. T.; Schadt, C. W.; Hanson, P. J.; Chanton, J.

2013-12-01

Peatlands sequester one-third of all soil carbon and currently act as major sinks of atmospheric carbon dioxide. The ability to predict or simulate the fate of stored carbon in response to climatic disruption remains hampered by our limited understanding of the controls of carbon turnover and the composition and functioning of peatland microbial communities. A combination of advanced analytical chemistry and microbiology approaches revealed that organic matter reactivity and microbial community dynamics were closely coupled in an extensive field dataset compiled at the S1 bog site established for the SPRUCE program, Marcell Experimental Forest (MEF). The molecular composition and decomposition pathways of dissolved organic carbon (DOC) were contrasted using parallel factor (PARAFAC)-modeled excitation emission fluorescence spectroscopy (EEMS) and FT-ICR MS. The specific UV absorbance (SUVA) at 254 nm was calculated as an indicator of aromaticity. Fluorescence intensity ratios (BIX and FI) were used to infer the relative contributions from solid phase decomposition and microbial production. Distributions of bulk DOC, its stable (δ13C) and radioactive (Δ14C) isotopic composition were also utilized to infer information on its dynamics and transformation processes. Strong vertical stratification was observed in organic matter composition, the distribution of mineralization products (CO2, CH4), respiration rates, and decomposition pathways, whereas smaller variations were observed between sites. A decline in the aromaticity of pore water DOC was accompanied by an increase in microbially-produced DOC. Solid phase peat, on the other hand, became more humified and highly aromatic with depth. These observations were consistent with radiocarbon data that showed that the radiocarbon signatures of microbial respiration products in peat porewaters more closely resemble those of DOC rather than solid peat, indicating that carbon from recent photosynthesis is fueling the majority of the decomposition, even in the subsurface. Stable isotope geochemistry paralleled with vertical changes in methanogen community composition to reveal a mid-depth maximum in acetoclastic methanogenesis, while hydrogenotrophic methanogenesis appears to dominate deeper peat layers. Archaea increased in relative abundance with depth, comprising up to 60 % of the microbial community in the deep peat below 75 cm depth. The Crenarchaeota, Archaea that are not known to produce methane, are suggested to play a critical role in the carbon cycle of deeper peat layers. This is corroborated by evidence from a C isotope mass balance, which indicates that processes other than methanogenesis (fermentation, anaerobic respiration) predominate in the deep peat leading to dominance of CO2 production at depth.

Absorption and fluorescence properties of chromophoric dissolved organic matter of the eastern Bering Sea in the summer with special reference to the influence of a cold pool

NASA Astrophysics Data System (ADS)

D'Sa, E. J.; Goes, J. I.; Gomes, H.; Mouw, C.

2014-06-01

The absorption and fluorescence properties of chromophoric dissolved organic matter (CDOM) are reported for the inner shelf, slope waters and outer shelf regions of the eastern Bering Sea during the summer of 2008, when a warm, thermally stratified surface mixed layer lay over a cold pool (< 2 °C) that occupied the entire middle shelf. CDOM absorption at 355 nm (ag355) and its spectral slope (S) in conjunction with excitation-emission matrix (EEM) fluorescence and parallel factor analysis (PARAFAC) revealed large variability in the characteristics of CDOM in different regions of the Bering Sea. PARAFAC analysis aided in the identification of three humic-like (components one, two and five) and two protein-like (a tyrosine-like component three, and a tryptophan-like component four) components. In the extensive shelf region, average absorption coefficients at 355 nm (ag355, m-1) and DOC concentrations (μM) were highest in the inner shelf (0.342 ± 0.11 m-1, 92.67 ± 14.60 μM) and lower in the middle (0.226 ± 0.05 m-1, 78.38 ± 10.64 μM) and outer (0.185 ± 0.05 m-1, 79.24 ± 18.01 μM) shelves, respectively. DOC concentrations, however were not significantly different, suggesting CDOM sources and sinks to be uncoupled from DOC. Mean spectral slopes S were elevated in the middle shelf (24.38 ± 2.25 μm-1) especially in the surface waters (26.87 ± 2.39 μm-1) indicating high rates of photodegradation in the highly stratified surface mixed layer, which intensified northwards in the northern middle shelf likely contributing to greater light penetration and to phytoplankton blooms at deeper depths. The fluorescent humic-like components one, two, and five were most elevated in the inner shelf most likely from riverine inputs. Along the productive "green belt" in the outer shelf/slope region, absorption and fluorescence properties indicated the presence of fresh and degraded autochthonous DOM. Near the Unimak Pass region of the Aleutian Islands, low DOC and ag355 (mean 66.99 ± 7.94 μM; 0.182 ± 0.05 m-1) and a high S (mean 25.95 ± 1.58 μm-1) suggested substantial photobleaching of the Alaska Coastal Water, but high intensities of humic-like and protein-like fluorescence suggested sources of fluorescent DOM from coastal runoff and glacier meltwaters during the summer. The spectral slope S vs. ag355 relationship revealed terrestrial and oceanic end members along with intermediate water masses that were modeled using nonlinear regression equations that could allow water mass differentiation based on CDOM optical properties. Spectral slope S was negatively correlated (r2 = 0.79) with apparent oxygen utilization (AOU) for waters extending from the middle shelf into the deep Bering Sea indicating increasing microbial alteration of CDOM with depth. Although our data show that the CDOM photochemical environment of the Bering Sea is complex, our current information on its optical properties will aid in better understanding of the biogeochemical role of CDOM in carbon budgets in relation to the annual sea ice and phytoplankton dynamics, and to improved algorithms of ocean color remote sensing for this region.

Unsupervised classification of petroleum Certified Reference Materials and other fuels by chemometric analysis of gas chromatography-mass spectrometry data

PubMed Central

de Carvalho Rocha, Werickson Fortunato; Schantz, Michele M.; Sheen, David A.; Chu, Pamela M.; Lippa, Katrice A.

2017-01-01

As feedstocks transition from conventional oil to unconventional petroleum sources and biomass, it will be necessary to determine whether a particular fuel or fuel blend is suitable for use in engines. Certifying a fuel as safe for use is time-consuming and expensive and must be performed for each new fuel. In principle, suitability of a fuel should be completely determined by its chemical composition. This composition can be probed through use of detailed analytical techniques such as gas chromatography-mass spectroscopy (GC-MS). In traditional analysis, chromatograms would be used to determine the details of the composition. In the approach taken in this paper, the chromatogram is assumed to be entirely representative of the composition of a fuel, and is used directly as the input to an algorithm in order to develop a model that is predictive of a fuel's suitability. When a new fuel is proposed for service, its suitability for any application could then be ascertained by using this model to compare its chromatogram with those of the fuels already known to be suitable for that application. In this paper, we lay the mathematical and informatics groundwork for a predictive model of hydrocarbon properties. The objective of this work was to develop a reliable model for unsupervised classification of the hydrocarbons as a prelude to developing a predictive model of their engine-relevant physical and chemical properties. A set of hydrocarbons including biodiesel fuels, gasoline, highway and marine diesel fuels, and crude oils was collected and GC-MS profiles obtained. These profiles were then analyzed using multi-way principal components analysis (MPCA), principal factors analysis (PARAFAC), and a self-organizing map (SOM), which is a kind of artificial neural network. It was found that, while MPCA and PARAFAC were able to recover descriptive models of the fuels, their linear nature obscured some of the finer physical details due to the widely varying composition of the fuels. The SOM was able to find a descriptive classification model which has the potential for practical recognition and perhaps prediction of fuel properties. PMID:28603295

Associations Between the Molecular and Optical Properties of Dissolved Organic Matter in the Florida Everglades, a Model Coastal Wetland System

PubMed Central

Wagner, Sasha; Jaffé, Rudolf; Cawley, Kaelin; Dittmar, Thorsten; Stubbins, Aron

2015-01-01

Optical properties are easy-to-measure proxies for dissolved organic matter (DOM) composition, source, and reactivity. However, the molecular signature of DOM associated with such optical parameters remains poorly defined. The Florida coastal Everglades is a subtropical wetland with diverse vegetation (e.g., sawgrass prairies, mangrove forests, seagrass meadows) and DOM sources (e.g., terrestrial, microbial, and marine). As such, the Everglades is an excellent model system from which to draw samples of diverse origin and composition to allow classically-defined optical properties to be linked to molecular properties of the DOM pool. We characterized a suite of seasonally- and spatially-collected DOM samples using optical measurements (EEM-PARAFAC, SUVA254, S275−295, S350−400, SR, FI, freshness index, and HIX) and ultrahigh resolution mass spectrometry (FTICR-MS). Spearman's rank correlations between FTICR-MS signal intensities of individual molecular formulae and optical properties determined which molecular formulae were associated with each PARAFAC component and optical index. The molecular families that tracked with the optical indices were generally in agreement with conventional biogeochemical interpretations. Therefore, although they represent only a small portion of the bulk DOM pool, absorbance, and fluorescence measurements appear to be appropriate proxies for the aquatic cycling of both optically-active and associated optically-inactive DOM in coastal wetlands. PMID:26636070

Using Horn's Parallel Analysis Method in Exploratory Factor Analysis for Determining the Number of Factors

ERIC Educational Resources Information Center

Çokluk, Ömay; Koçak, Duygu

2016-01-01

In this study, the number of factors obtained from parallel analysis, a method used for determining the number of factors in exploratory factor analysis, was compared to that of the factors obtained from eigenvalue and scree plot--two traditional methods for determining the number of factors--in terms of consistency. Parallel analysis is based on…

Assessing the potential impacts of declining Arctic sea ice cover on the photochemical degradation of dissolved organic matter in the Chukchi and Beaufort Seas

NASA Astrophysics Data System (ADS)

Logvinova, Christie L.; Frey, Karen E.; Mann, Paul J.; Stubbins, Aron; Spencer, Robert G. M.

2015-11-01

A warming and shifting climate in the Arctic has led to significant declines in sea ice over the last several decades. Although these changes in sea ice cover are well documented, large uncertainties remain in how associated increases in solar radiation transmitted to the underlying ocean water column will impact heating, biological, and biogeochemical processes in the Arctic Ocean. In this study, six under-ice marine, two ice-free marine, and two ice-free terrestrially influenced water samples were irradiated using a solar simulator for 72 h (representing ~10 days of ambient sunlight) to investigate dissolved organic matter (DOM) dynamics from the Chukchi and Beaufort Seas. Solar irradiation caused chromophoric DOM (CDOM) light absorption at 254 nm to decrease by 48 to 63%. An overall loss in total DOM fluorescence intensity was also observed at the end of all experiments, and each of six components identified by parallel factor (PARAFAC) analysis was shown to be photoreactive in at least one experiment. Fluorescent DOM (FDOM) also indicated that the majority of DOM in under-ice and ice-free marine waters was likely algal-derived. Measurable changes in dissolved organic carbon (DOC) were only observed for sites influenced by riverine runoff. Losses of CDOM absorbance at shorter wavelengths suggest that the beneficial UV protection currently received by marine organisms may decline with the increased light transmittance associated with sea ice melt ponding and overall reductions of sea ice. Our FDOM analyses demonstrate that DOM irrespective of source was susceptible to photobleaching. Additionally, our findings suggest that photodegradation of CDOM in under-ice waters is not currently a significant source of carbon dioxide (CO2) (i.e., we did not observe systematic DOC loss). However, increases in primary production and terrestrial freshwater export expected under future climate change scenarios may cause an increase in CDOM quantity and shift in quality throughout Arctic Ocean surface waters. As Arctic temperatures continue to warm and summer sea ice further declines, examination of the resulting enhanced photodegradation processes and their impacts on the interplay between primary production, carbon cycling, and surface ocean heating processes will be paramount.

Characterization and sources of colored dissolved organic matter in a coral reef ecosystem subject to ultramafic erosion pressure (New Caledonia, Southwest Pacific).

PubMed

Martias, Chloé; Tedetti, Marc; Lantoine, François; Jamet, Léocadie; Dupouy, Cécile

2018-03-01

The eastern lagoon of New Caledonia (NC, Southwest Pacific), listed as a UNESCO World Heritage site, hosts the world's second longest double-barrier coral reef. This lagoon receives river inputs, oceanic water arrivals, and erosion pressure from ultramafic rocks, enriched in nickel (Ni) and cobalt (Co). The aim of this study was to characterize colored dissolved organic matter (CDOM), as well as to determine its main sources and its possible relationships (through the use of Pearson correlation coefficients, r) with biogeochemical parameters, plankton communities and trace metals in the NC eastern lagoon. Water samples were collected in March 2016 along a series of river/lagoon/open-ocean transects. The absorption coefficient at 350nm (a 350 ) revealed the influence of river inputs on the CDOM distribution. The high values of spectral slope (S 275-295 , >0.03m -1 ) and the low values of specific ultraviolet absorbance (SUVA 254 , <4Lmg-C -1 m -1 ) highlighted the photodegradation of CDOM in surface waters. The application of parallel factor analysis (PARAFAC) on excitation-emission matrices (EEMs) allowed the identification of four CDOM components: (1) one humic- and one tyrosine-like fluorophores. They had terrestrial origin, exported through rivers and undergoing photo- and bio-degradation in the lagoon. These two fluorophores were linked to manganese (Mn) in southern rivers (r=0.46-0.50, n=21, p<0.05). (2) A tryptophan-like fluorophore, which exhibited higher levels offshore. It would be potentially released from the coral reef. (3) A second tyrosine-like ("tyrosine 2-like") fluorophore. Linked to Prochlorococcus cyanobacteria (r=0.39, n=47, p<0.05), this fluorophore would have an oceanic origin and enter in the lagoon through its southern and northern extremities. It also displayed relationships with Ni and Co content (r=0.53-0.54, n=21, p<0.05). This work underlines the diversity of CDOM sources in the NC eastern lagoon. Copyright © 2017 Elsevier B.V. All rights reserved.

Multiway modeling and analysis in stem cell systems biology

PubMed Central

2008-01-01

Background Systems biology refers to multidisciplinary approaches designed to uncover emergent properties of biological systems. Stem cells are an attractive target for this analysis, due to their broad therapeutic potential. A central theme of systems biology is the use of computational modeling to reconstruct complex systems from a wealth of reductionist, molecular data (e.g., gene/protein expression, signal transduction activity, metabolic activity, etc.). A number of deterministic, probabilistic, and statistical learning models are used to understand sophisticated cellular behaviors such as protein expression during cellular differentiation and the activity of signaling networks. However, many of these models are bimodal i.e., they only consider row-column relationships. In contrast, multiway modeling techniques (also known as tensor models) can analyze multimodal data, which capture much more information about complex behaviors such as cell differentiation. In particular, tensors can be very powerful tools for modeling the dynamic activity of biological networks over time. Here, we review the application of systems biology to stem cells and illustrate application of tensor analysis to model collagen-induced osteogenic differentiation of human mesenchymal stem cells. Results We applied Tucker1, Tucker3, and Parallel Factor Analysis (PARAFAC) models to identify protein/gene expression patterns during extracellular matrix-induced osteogenic differentiation of human mesenchymal stem cells. In one case, we organized our data into a tensor of type protein/gene locus link × gene ontology category × osteogenic stimulant, and found that our cells expressed two distinct, stimulus-dependent sets of functionally related genes as they underwent osteogenic differentiation. In a second case, we organized DNA microarray data in a three-way tensor of gene IDs × osteogenic stimulus × replicates, and found that application of tensile strain to a collagen I substrate accelerated the osteogenic differentiation induced by a static collagen I substrate. Conclusion Our results suggest gene- and protein-level models whereby stem cells undergo transdifferentiation to osteoblasts, and lay the foundation for mechanistic, hypothesis-driven studies. Our analysis methods are applicable to a wide range of stem cell differentiation models. PMID:18625054

Evaluation of Parallel Analysis Methods for Determining the Number of Factors

ERIC Educational Resources Information Center

Crawford, Aaron V.; Green, Samuel B.; Levy, Roy; Lo, Wen-Juo; Scott, Lietta; Svetina, Dubravka; Thompson, Marilyn S.

2010-01-01

Population and sample simulation approaches were used to compare the performance of parallel analysis using principal component analysis (PA-PCA) and parallel analysis using principal axis factoring (PA-PAF) to identify the number of underlying factors. Additionally, the accuracies of the mean eigenvalue and the 95th percentile eigenvalue criteria…

Experimental Investigations, Modeling, and Analyses of High-Temperature Devices for Space Applications. Part 1

DTIC Science & Technology

1999-01-01

Cylinder and Another Interior Shell of Different Length (Reid and Tennant 1973) 429 C. 1.19. View Factors between Two Infinitely-Long Parallel and Opposed...by Another Parallel Cylinder of Different Radius 433 X C. 1.21. View Factor between Two Parallel and Opposed Cylinders of Unequal Radii and Equal...Length (Juul 1982) 435 C. 1.22. View Factor between Two Parallel Cylindrical Sections at Different Levels and of Different Length 439 C.2 CALCULATION OF

Parallel O(log n) algorithms for open- and closed-chain rigid multibody systems based on a new mass matrix factorization technique

NASA Technical Reports Server (NTRS)

Fijany, Amir

1993-01-01

In this paper, parallel O(log n) algorithms for computation of rigid multibody dynamics are developed. These parallel algorithms are derived by parallelization of new O(n) algorithms for the problem. The underlying feature of these O(n) algorithms is a drastically different strategy for decomposition of interbody force which leads to a new factorization of the mass matrix (M). Specifically, it is shown that a factorization of the inverse of the mass matrix in the form of the Schur Complement is derived as M(exp -1) = C - B(exp *)A(exp -1)B, wherein matrices C, A, and B are block tridiagonal matrices. The new O(n) algorithm is then derived as a recursive implementation of this factorization of M(exp -1). For the closed-chain systems, similar factorizations and O(n) algorithms for computation of Operational Space Mass Matrix lambda and its inverse lambda(exp -1) are also derived. It is shown that these O(n) algorithms are strictly parallel, that is, they are less efficient than other algorithms for serial computation of the problem. But, to our knowledge, they are the only known algorithms that can be parallelized and that lead to both time- and processor-optimal parallel algorithms for the problem, i.e., parallel O(log n) algorithms with O(n) processors. The developed parallel algorithms, in addition to their theoretical significance, are also practical from an implementation point of view due to their simple architectural requirements.

Influence of Flood and Drought Conditions on Dissolved Organic Matter Distribution in Northern Gulf of Mexico Shelf Waters

NASA Astrophysics Data System (ADS)

Shank, G. C.; Liu, Q.; Patterson, L.; Kowalczuk, P.

2012-12-01

DOC, CDOM, and EEM PARAFAC analyses were used to examine DOM distribution along the Louisiana (LA) and Texas (TX) continental shelves in the northern Gulf of Mexico during cruises in May and August of the 2011 Mississippi basin flood year, and May, June, and August of the 2012 Mississippi basin drought year. For both 2011 and 2012, CDOM and DOC levels were well-correlated with salinity on the LA shelf. However, the mixing curves for each parameter were markedly different between 2011 and 2012 and CDOM:DOC ratios, indicative of terrestrial organic matter inputs, were much higher during 2011 than during 2012. EEM PARAFAC results confirmed a much higher terrestrial DOM signature in LA shelf waters for 2011, but also a higher terrestrial DOM signature for TX waters in 2012 as the drought in the western Gulf region subsided. CDOM:DOC ratios were anomalously high offshore of Atchafalaya Bay and the Breton-Chandeleur Sound complex indicating coastal wetlands augment the terrestrial DOM discharged through the Mississippi and Atchafalaya Rivers. At several sites along the LA and TX shelves during both 2011 and 2012, CDOM was higher near bottom than at mid-depth without concomitant DOC increases, possibly due to microbial processing of settling phytoplankton cells, sedimentary fluxes, and benthic algal activity which was especially prevalent along the TX shelf. Results from simulated solar radiation experiments indicate that shelf water CDOM readily photobleaches with losses of >50% likely in surface waters over the summer, while DOC photooxidation is at least an order of magnitude slower than CDOM photobleaching.;

A Proposed Solution to the Problem with Using Completely Random Data to Assess the Number of Factors with Parallel Analysis

ERIC Educational Resources Information Center

Green, Samuel B.; Levy, Roy; Thompson, Marilyn S.; Lu, Min; Lo, Wen-Juo

2012-01-01

A number of psychometricians have argued for the use of parallel analysis to determine the number of factors. However, parallel analysis must be viewed at best as a heuristic approach rather than a mathematically rigorous one. The authors suggest a revision to parallel analysis that could improve its accuracy. A Monte Carlo study is conducted to…

Regional-scale calculation of the LS factor using parallel processing

NASA Astrophysics Data System (ADS)

Liu, Kai; Tang, Guoan; Jiang, Ling; Zhu, A.-Xing; Yang, Jianyi; Song, Xiaodong

2015-05-01

With the increase of data resolution and the increasing application of USLE over large areas, the existing serial implementation of algorithms for computing the LS factor is becoming a bottleneck. In this paper, a parallel processing model based on message passing interface (MPI) is presented for the calculation of the LS factor, so that massive datasets at a regional scale can be processed efficiently. The parallel model contains algorithms for calculating flow direction, flow accumulation, drainage network, slope, slope length and the LS factor. According to the existence of data dependence, the algorithms are divided into local algorithms and global algorithms. Parallel strategy are designed according to the algorithm characters including the decomposition method for maintaining the integrity of the results, optimized workflow for reducing the time taken for exporting the unnecessary intermediate data and a buffer-communication-computation strategy for improving the communication efficiency. Experiments on a multi-node system show that the proposed parallel model allows efficient calculation of the LS factor at a regional scale with a massive dataset.

Parallel Lattice Basis Reduction Using a Multi-threaded Schnorr-Euchner LLL Algorithm

NASA Astrophysics Data System (ADS)

Backes, Werner; Wetzel, Susanne

In this paper, we introduce a new parallel variant of the LLL lattice basis reduction algorithm. Our new, multi-threaded algorithm is the first to provide an efficient, parallel implementation of the Schorr-Euchner algorithm for today’s multi-processor, multi-core computer architectures. Experiments with sparse and dense lattice bases show a speed-up factor of about 1.8 for the 2-thread and about factor 3.2 for the 4-thread version of our new parallel lattice basis reduction algorithm in comparison to the traditional non-parallel algorithm.

Designing Feature and Data Parallel Stochastic Coordinate Descent Method forMatrix and Tensor Factorization

DTIC Science & Technology

2016-05-11

AFRL-AFOSR-JP-TR-2016-0046 Designing Feature and Data Parallel Stochastic Coordinate Descent Method for Matrix and Tensor Factorization U Kang Korea...maintaining the data needed, and completing and reviewing the collection of information. Send comments regarding this burden estimate or   any other aspect...Designing Feature and Data Parallel Stochastic Coordinate Descent Method for Matrix and Tensor Factorization 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386

Quantifying aflatoxins in peanuts using fluorescence spectroscopy coupled with multi-way methods: Resurrecting second-order advantage in excitation-emission matrices with rank overlap problem

NASA Astrophysics Data System (ADS)

Sajjadi, S. Maryam; Abdollahi, Hamid; Rahmanian, Reza; Bagheri, Leila

2016-03-01

A rapid, simple and inexpensive method using fluorescence spectroscopy coupled with multi-way methods for the determination of aflatoxins B1 and B2 in peanuts has been developed. In this method, aflatoxins are extracted with a mixture of water and methanol (90:10), and then monitored by fluorescence spectroscopy producing EEMs. Although the combination of EEMs and multi-way methods is commonly used to determine analytes in complex chemical systems with unknown interference(s), rank overlap problem in excitation and emission profiles may restrain the application of this strategy. If there is rank overlap in one mode, there are several three-way algorithms such as PARAFAC under some constraints that can resolve this kind of data successfully. However, the analysis of EEM data is impossible when some species have rank overlap in both modes because the information of the data matrix is equivalent to a zero-order data for that species, which is the case in our study. Aflatoxins B1 and B2 have the same shape of spectral profiles in both excitation and emission modes and we propose creating a third order data for each sample using solvent as a new additional selectivity mode. This third order data, in turn, converted to the second order data by augmentation, a fact which resurrects the second order advantage in original EEMs. The three-way data is constructed by stacking augmented data in the third way, and then analyzed by two powerful second order calibration methods (BLLS-RBL and PARAFAC) to quantify the analytes in four kinds of peanut samples. The results of both methods are in good agreement and reasonable recoveries are obtained.

Size distribution of absorbing and fluorescing DOM in Beaufort Sea, Canada Basin

NASA Astrophysics Data System (ADS)

Gao, Zhiyuan; Guéguen, Céline

2017-03-01

The molecular weight (MW) of dissolved organic matter (DOM) is considered as an important factor affecting the bioavailability of organic matter and associated chemical species. Colored DOM (CDOM) MW distribution was determined, for the first time, in the Beaufort Sea (Canada Basin) by asymmetrical flow field-flow fractionation (AF4) coupled with online diode array ultra violet-visible photometer and offline fluorescence detectors. The apparent MW ranged from 1.07 to 1.45 kDa, congruent with previous studies using high performance size exclusion chromatography and tangential flow filtration. Interestingly, a minimum in MW was associated with the Pacific Summer Waters (PSW), while higher MW was associated with the Pacific Winter Waters (PWW). The Arctic Intermediate Waters (AIW) did not show any significant change in MW and fluorescence intensities distribution between stations, suggesting homogeneous DOM composition in deep waters. Three fluorescence components including two humic-like components and one protein-like component were PARAFAC-validated. With the increase of MW, protein-like fluorescence component became more dominant while the majority remained as marine/microbially derived humic-like components. Overall, it is concluded that water mass origin influenced DOM MW distribution in the Arctic Ocean.

Type I and Type II Error Rates and Overall Accuracy of the Revised Parallel Analysis Method for Determining the Number of Factors

ERIC Educational Resources Information Center

Green, Samuel B.; Thompson, Marilyn S.; Levy, Roy; Lo, Wen-Juo

2015-01-01

Traditional parallel analysis (T-PA) estimates the number of factors by sequentially comparing sample eigenvalues with eigenvalues for randomly generated data. Revised parallel analysis (R-PA) sequentially compares the "k"th eigenvalue for sample data to the "k"th eigenvalue for generated data sets, conditioned on"k"-…

Considering Horn's Parallel Analysis from a Random Matrix Theory Point of View.

PubMed

Saccenti, Edoardo; Timmerman, Marieke E

2017-03-01

Horn's parallel analysis is a widely used method for assessing the number of principal components and common factors. We discuss the theoretical foundations of parallel analysis for principal components based on a covariance matrix by making use of arguments from random matrix theory. In particular, we show that (i) for the first component, parallel analysis is an inferential method equivalent to the Tracy-Widom test, (ii) its use to test high-order eigenvalues is equivalent to the use of the joint distribution of the eigenvalues, and thus should be discouraged, and (iii) a formal test for higher-order components can be obtained based on a Tracy-Widom approximation. We illustrate the performance of the two testing procedures using simulated data generated under both a principal component model and a common factors model. For the principal component model, the Tracy-Widom test performs consistently in all conditions, while parallel analysis shows unpredictable behavior for higher-order components. For the common factor model, including major and minor factors, both procedures are heuristic approaches, with variable performance. We conclude that the Tracy-Widom procedure is preferred over parallel analysis for statistically testing the number of principal components based on a covariance matrix.

The factorization of large composite numbers on the MPP

NASA Technical Reports Server (NTRS)

Mckurdy, Kathy J.; Wunderlich, Marvin C.

1987-01-01

The continued fraction method for factoring large integers (CFRAC) was an ideal algorithm to be implemented on a massively parallel computer such as the Massively Parallel Processor (MPP). After much effort, the first 60 digit number was factored on the MPP using about 6 1/2 hours of array time. Although this result added about 10 digits to the size number that could be factored using CFRAC on a serial machine, it was already badly beaten by the implementation of Davis and Holdridge on the CRAY-1 using the quadratic sieve, an algorithm which is clearly superior to CFRAC for large numbers. An algorithm is illustrated which is ideally suited to the single instruction multiple data (SIMD) massively parallel architecture and some of the modifications which were needed in order to make the parallel implementation effective and efficient are described.

Fast parallel molecular algorithms for DNA-based computation: factoring integers.

PubMed

Chang, Weng-Long; Guo, Minyi; Ho, Michael Shan-Hui

2005-06-01

The RSA public-key cryptosystem is an algorithm that converts input data to an unrecognizable encryption and converts the unrecognizable data back into its original decryption form. The security of the RSA public-key cryptosystem is based on the difficulty of factoring the product of two large prime numbers. This paper demonstrates to factor the product of two large prime numbers, and is a breakthrough in basic biological operations using a molecular computer. In order to achieve this, we propose three DNA-based algorithms for parallel subtractor, parallel comparator, and parallel modular arithmetic that formally verify our designed molecular solutions for factoring the product of two large prime numbers. Furthermore, this work indicates that the cryptosystems using public-key are perhaps insecure and also presents clear evidence of the ability of molecular computing to perform complicated mathematical operations.

Effect of photodegradation and biodegradation on the concentration and composition of dissolved organic matter in diverse waterbodies

NASA Astrophysics Data System (ADS)

Manalilkada Sasidharan, S.; Dash, P.; Singh, S.; Lu, Y.

2017-12-01

The objective of this research was to quantify the effects of photodegradation and biodegradation on the dissolved organic matter (DOM) concentration and composition in five distinct waterbodies with diverse types of watershed land use and land cover in the southeastern United States. The water bodies included an agricultural pond, a lake in a predominantly forested watershed, a man-made reservoir, an estuary, and a bay. Two sets of samples were prepared from these water bodies by dispensing filtered water samples to unfiltered samples in 10:1 ratio. The first set was kept in the sunlight during the day (12 hours), and colored dissolved organic matter (CDOM) absorption and fluorescence were measured periodically over a 30-day period for examining the effects of combined photo- and biodegradation. The second set of samples was kept in the dark for examining the effects of biodegradation alone, and CDOM absorption and fluorescence were measured at the same time as the sunlight-exposed samples. Subsequently, spectrometric results in tandem with multivariate statistical analysis were used to interpret the lability vs. composition of DOM. Parallel factor analysis (PARAFAC) revealed the presence of four DOM components (C1-C4). C1 and C4 were microbial tryptophan-like, labile lighter components, while C2 and C3 were terrestrial humic like or fulvic acid type, larger aromatic refractory components. The principal component analysis (PCA) also revealed two distinct groups of DOM - C1 and C4 vs. C2 and C3. The negative PC1 loadings of C2, C3, HIX, a254 and SUVA indicated humic-like or fulvic-like structurally complex refractory aromatic DOM originated from higher plants in forested areas. C1, C4, SR, FI and BI had positive PC1 loadings, which indicated structurally simpler labile DOM were derived from agricultural areas or microbial activity. There was a decrease in dissolved organic carbon (DOC) due to combined photo- and biodegradation, and transformation of components C2, C3 into components C1, C4 was at a much faster rate than only biodegradation. This observation suggests that the presence of sunlight facilitated the degradation of larger, recalcitrant, terrestrial humic-like compounds into smaller, labile microbial components.

Dissolved organic matter signatures vary between naturally acidic, circumneutral and groundwater-fed freshwaters in Australia.

PubMed

Holland, Aleicia; Stauber, Jenny; Wood, Chris M; Trenfield, Melanie; Jolley, Dianne F

2018-06-15

Dissolved organic matter (DOM) plays important roles in both abiotic and biotic processes within aquatic ecosystems, and these in turn depend on the quality of the DOM. We collected and characterized chromophoric DOM (CDOM) from different Australian freshwater types (circumneutral, naturally acidic and groundwater-fed waterways), climatic regions and seasons. CDOM quality was characterized using absorbance and fluorescence spectroscopy. Excitation emission scans followed by parallel factor (PARAFAC) analysis showed that CDOM was characterized by three main components: protein-like, fulvic-like and humic-like components commonly associated with various waters globally in the Openfluor database. Principal component analysis showed that CDOM quality varied between naturally acidic, circumneutral and groundwater-fed waters, with unique CDOM quality signatures shown for each freshwater type. CDOM quality also differed significantly within some sites between seasons. Clear differences in dominant CDOM components were shown between freshwater types. Naturally acidic waters were dominated by highly aromatic (as indicated by the specific absorbance co-efficient (SAC 340 ) and the specific UV absorbance (SUVA 254 ) values which ranged between 31 and 50 cm 2  mg -1 and 3.9-5.7 mg C -1  m -1 respectively), humic-like CDOM of high molecular weight (as indicated by abs 254/365 which ranged from 3.8 to 4.3). In contrast, circumneutral waters were dominated by fulvic-like CDOM of lower aromaticity (SAC 340 : 7-21 cm 2  mg -1 and SUVA 254 : 1.5-3.0 mg C -1  m -1 ) and lower molecular weight (abs 254/365 5.1-9.3). The groundwater-fed site had a higher abundance of protein-like CDOM, which was the least aromatic (SAC 340 : 2-5 cm 2  mg -1 and SUVA 254 : 0.58-1.1 mg C -1  m -1 ). CDOM was generally less aromatic, of a lower molecular weight and more autochthonous in nature during the summer/autumn sampling compared to winter/spring. Significant relationships were shown between various CDOM quality parameters and pH. This is the first study to show that different freshwater types (circumneutral, naturally acidic and groundwater-fed) contain distinct CDOM quality signatures in Australia, a continent with unique flora and geology. Crown Copyright © 2018. Published by Elsevier Ltd. All rights reserved.

Absorption and Fluorescence Properties of Chromophoric Dissolved Organic Matter Produced by Algae.

PubMed

Peng, Tong; Lu, Xiao-lan; Su, Rong-guo; Zhang, Dong-mei

2015-09-01

Four kinds of diatom (Chaetoceros curvisetus, Phaeodactylum tricornutum, Nitzschia closterium f. minutissima and Navicula halophile) and two kinds of dinoflagellates (Prorocentrum donghaiense and Gymnodinium) were cultured under laboratory conditions. Variations of optical properties of chromophoric dissolved organic matter (CDOM) were studied with absorption and fluorescence excitation-emission matrix spectroscopy(EEM) during growth of marine microalgae in incubation experiment. Absorption spectrum revealed absorption coefficient a(355) (CDOM absorption coefficients at 355 nm) of 6 kinds of marine microalgae above increased by 64.8%, 242.3%, 535.1%, 903.2%, 836% and 196.4%, respectively. Simultaneously, the absorption spectral slope (Sg), determined between 270 and 350 nm, representing the size of molecular weight of CDOM and humic-like composition, decreased by 8.7%, 34.6%, 39.4%, 53.1%, 46.7%, and 35.7%, respectively. Applying parallel factor analysis (PARAFAC) together with EEM got four components of CDOM: C1(Ex/Em=350(260) nm/450 nm), C2 (Ex/Em=260(430) nm/525 nm), C3 (Ex/Em=325 nm/400 nm) and C4(Ex/Em=275 nm/325 nm), which were relative to three humic-like and one protein-like fluorescent components of Nitzschia closterium f. minutissima and Navicula halophile. In incubation experiment, fluorescence intensity of these four components during growth of Nitzschia closterium f. minutissima increased by, respectively, 8.68, 24.9, 7.19 and 39.8 times, and those of Navicula halophile increased by 2.64, 0.07, 4.39 and 12.4 times, respectively. Significant relationships were found between the fluorescence intensity of four components of CDOM, a(355) and Sg. All results demonstrated that both content and molecular weight of CDOM produced by diatom and dinoflagellate studied in incubation experiment increased, but these two parameters changed more obviously of the diatom than those of dinoflagellate; the proportion of humic-like components in the composition of CDOM also increased clearly with the growth of marine microalgae, but protein-like fluorescent component had only a slow growth. Furthermore, the absorption spectrum of CDOM produced by different species of algae changed obviously and the relative composition fluorescence intensity of CDOM produced by different microalgae were found to vary among different composition from EEM, which suggested CDOM produced by different microalgae make quite different contributions to CDOM in natural seawater.

Automatic Management of Parallel and Distributed System Resources

NASA Technical Reports Server (NTRS)

Yan, Jerry; Ngai, Tin Fook; Lundstrom, Stephen F.

1990-01-01

Viewgraphs on automatic management of parallel and distributed system resources are presented. Topics covered include: parallel applications; intelligent management of multiprocessing systems; performance evaluation of parallel architecture; dynamic concurrent programs; compiler-directed system approach; lattice gaseous cellular automata; and sparse matrix Cholesky factorization.

A new scheduling algorithm for parallel sparse LU factorization with static pivoting

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grigori, Laura; Li, Xiaoye S.

2002-08-20

In this paper we present a static scheduling algorithm for parallel sparse LU factorization with static pivoting. The algorithm is divided into mapping and scheduling phases, using the symmetric pruned graphs of L' and U to represent dependencies. The scheduling algorithm is designed for driving the parallel execution of the factorization on a distributed-memory architecture. Experimental results and comparisons with SuperLU{_}DIST are reported after applying this algorithm on real world application matrices on an IBM SP RS/6000 distributed memory machine.

Optimal parallel solution of sparse triangular systems

NASA Technical Reports Server (NTRS)

Alvarado, Fernando L.; Schreiber, Robert

1990-01-01

A method for the parallel solution of triangular sets of equations is described that is appropriate when there are many right-handed sides. By preprocessing, the method can reduce the number of parallel steps required to solve Lx = b compared to parallel forward or backsolve. Applications are to iterative solvers with triangular preconditioners, to structural analysis, or to power systems applications, where there may be many right-handed sides (not all available a priori). The inverse of L is represented as a product of sparse triangular factors. The problem is to find a factored representation of this inverse of L with the smallest number of factors (or partitions), subject to the requirement that no new nonzero elements be created in the formation of these inverse factors. A method from an earlier reference is shown to solve this problem. This method is improved upon by constructing a permutation of the rows and columns of L that preserves triangularity and allow for the best possible such partition. A number of practical examples and algorithmic details are presented. The parallelism attainable is illustrated by means of elimination trees and clique trees.

Highly parallel sparse Cholesky factorization

NASA Technical Reports Server (NTRS)

Gilbert, John R.; Schreiber, Robert

1990-01-01

Several fine grained parallel algorithms were developed and compared to compute the Cholesky factorization of a sparse matrix. The experimental implementations are on the Connection Machine, a distributed memory SIMD machine whose programming model conceptually supplies one processor per data element. In contrast to special purpose algorithms in which the matrix structure conforms to the connection structure of the machine, the focus is on matrices with arbitrary sparsity structure. The most promising algorithm is one whose inner loop performs several dense factorizations simultaneously on a 2-D grid of processors. Virtually any massively parallel dense factorization algorithm can be used as the key subroutine. The sparse code attains execution rates comparable to those of the dense subroutine. Although at present architectural limitations prevent the dense factorization from realizing its potential efficiency, it is concluded that a regular data parallel architecture can be used efficiently to solve arbitrarily structured sparse problems. A performance model is also presented and it is used to analyze the algorithms.

Experimental determination of pCo perturbation factors for plane-parallel chambers

NASA Astrophysics Data System (ADS)

Kapsch, R. P.; Bruggmoser, G.; Christ, G.; Dohm, O. S.; Hartmann, G. H.; Schüle, E.

2007-12-01

For plane-parallel chambers used in electron dosimetry, modern dosimetry protocols recommend a cross-calibration against a calibrated cylindrical chamber. The rationale for this is the unacceptably large (up to 3-4%) chamber-to-chamber variations of the perturbation factors (pwall)Co, which have been reported for plane-parallel chambers of a given type. In some recent publications, it was shown that this is no longer the case for modern plane-parallel chambers. The aims of the present study are to obtain reliable information about the variation of the perturbation factors for modern types of plane-parallel chambers, and—if this variation is found to be acceptably small—to determine type-specific mean values for these perturbation factors which can be used for absorbed dose measurements in electron beams using plane-parallel chambers. In an extensive multi-center study, the individual perturbation factors pCo (which are usually assumed to be equal to (pwall)Co) for a total of 35 plane-parallel chambers of the Roos type, 15 chambers of the Markus type and 12 chambers of the Advanced Markus type were determined. From a total of 188 cross-calibration measurements, variations of the pCo values for different chambers of the same type of at most 1.0%, 0.9% and 0.6% were found for the chambers of the Roos, Markus and Advanced Markus types, respectively. The mean pCo values obtained from all measurements are \\bar{p}^Roos_Co = 1.0198, \\bar{p}^Markus_Co = 1.0175 and \\bar{p}^Advanced_Co = 1.0155 ; the relative experimental standard deviation of the individual pCo values is less than 0.24% for all chamber types; the relative standard uncertainty of the mean pCo values is 1.1%.

Performance of a plasma fluid code on the Intel parallel computers

NASA Technical Reports Server (NTRS)

Lynch, V. E.; Carreras, B. A.; Drake, J. B.; Leboeuf, J. N.; Liewer, P.

1992-01-01

One approach to improving the real-time efficiency of plasma turbulence calculations is to use a parallel algorithm. A parallel algorithm for plasma turbulence calculations was tested on the Intel iPSC/860 hypercube and the Touchtone Delta machine. Using the 128 processors of the Intel iPSC/860 hypercube, a factor of 5 improvement over a single-processor CRAY-2 is obtained. For the Touchtone Delta machine, the corresponding improvement factor is 16. For plasma edge turbulence calculations, an extrapolation of the present results to the Intel (sigma) machine gives an improvement factor close to 64 over the single-processor CRAY-2.

Parallel/Vector Integration Methods for Dynamical Astronomy

NASA Astrophysics Data System (ADS)

Fukushima, T.

Progress of parallel/vector computers has driven us to develop suitable numerical integrators utilizing their computational power to the full extent while being independent on the size of system to be integrated. Unfortunately, the parallel version of Runge-Kutta type integrators are known to be not so efficient. Recently we developed a parallel version of the extrapolation method (Ito and Fukushima 1997), which allows variable timesteps and still gives an acceleration factor of 3-4 for general problems. While the vector-mode usage of Picard-Chebyshev method (Fukushima 1997a, 1997b) will lead the acceleration factor of order of 1000 for smooth problems such as planetary/satellites orbit integration. The success of multiple-correction PECE mode of time-symmetric implicit Hermitian integrator (Kokubo 1998) seems to enlighten Milankar's so-called "pipelined predictor corrector method", which is expected to lead an acceleration factor of 3-4. We will review these directions and discuss future prospects.

BCYCLIC: A parallel block tridiagonal matrix cyclic solver

NASA Astrophysics Data System (ADS)

Hirshman, S. P.; Perumalla, K. S.; Lynch, V. E.; Sanchez, R.

2010-09-01

A block tridiagonal matrix is factored with minimal fill-in using a cyclic reduction algorithm that is easily parallelized. Storage of the factored blocks allows the application of the inverse to multiple right-hand sides which may not be known at factorization time. Scalability with the number of block rows is achieved with cyclic reduction, while scalability with the block size is achieved using multithreaded routines (OpenMP, GotoBLAS) for block matrix manipulation. This dual scalability is a noteworthy feature of this new solver, as well as its ability to efficiently handle arbitrary (non-powers-of-2) block row and processor numbers. Comparison with a state-of-the art parallel sparse solver is presented. It is expected that this new solver will allow many physical applications to optimally use the parallel resources on current supercomputers. Example usage of the solver in magneto-hydrodynamic (MHD), three-dimensional equilibrium solvers for high-temperature fusion plasmas is cited.

Kronecker-Basis-Representation Based Tensor Sparsity and Its Applications to Tensor Recovery.

PubMed

Xie, Qi; Zhao, Qian; Meng, Deyu; Xu, Zongben

2017-08-02

It is well known that the sparsity/low-rank of a vector/matrix can be rationally measured by nonzero-entries-number ($l_0$ norm)/nonzero- singular-values-number (rank), respectively. However, data from real applications are often generated by the interaction of multiple factors, which obviously cannot be sufficiently represented by a vector/matrix, while a high order tensor is expected to provide more faithful representation to deliver the intrinsic structure underlying such data ensembles. Unlike the vector/matrix case, constructing a rational high order sparsity measure for tensor is a relatively harder task. To this aim, in this paper we propose a measure for tensor sparsity, called Kronecker-basis-representation based tensor sparsity measure (KBR briefly), which encodes both sparsity insights delivered by Tucker and CANDECOMP/PARAFAC (CP) low-rank decompositions for a general tensor. Then we study the KBR regularization minimization (KBRM) problem, and design an effective ADMM algorithm for solving it, where each involved parameter can be updated with closed-form equations. Such an efficient solver makes it possible to extend KBR to various tasks like tensor completion and tensor robust principal component analysis. A series of experiments, including multispectral image (MSI) denoising, MSI completion and background subtraction, substantiate the superiority of the proposed methods beyond state-of-the-arts.

Performance Analysis and Optimization on the UCLA Parallel Atmospheric General Circulation Model Code

NASA Technical Reports Server (NTRS)

Lou, John; Ferraro, Robert; Farrara, John; Mechoso, Carlos

1996-01-01

An analysis is presented of several factors influencing the performance of a parallel implementation of the UCLA atmospheric general circulation model (AGCM) on massively parallel computer systems. Several modificaitons to the original parallel AGCM code aimed at improving its numerical efficiency, interprocessor communication cost, load-balance and issues affecting single-node code performance are discussed.

Implementation and Performance of Factorized Back projection on Low-Cost Commercial-Off-the-Shelf Hardware

DTIC Science & Technology

performance on a low cost, low size, weight, and power (SWAP) computer : a Raspberry Pi Model B. For a comparison of performance, a baseline implementation...improvement factor of 2-3 compared to filtered backprojection. Execution on a single Raspberry Pi is too slow for real-time imaging. However, factorized...backprojection is easily parallelized, and we include a discussion of parallel implementation across multiple Pis .

Spatiotemporal variations in the abundance and composition of bulk and chromophoric dissolved organic matter in seasonally hypoxia-influenced Green Bay, Lake Michigan, USA.

PubMed

DeVilbiss, Stephen E; Zhou, Zhengzhen; Klump, J Val; Guo, Laodong

2016-09-15

Green Bay, Lake Michigan, USA, is the largest freshwater estuary in the Laurentian Great Lakes and receives disproportional terrestrial inputs as a result of a high watershed to bay surface area ratio. While seasonal hypoxia and the formation of "dead zones" in Green Bay have received increasing attention, there are no systematic studies on the dynamics of dissolved organic matter (DOM) and its linkage to the development of hypoxia. During summer 2014, bulk dissolved organic carbon (DOC) analysis, UV-vis spectroscopy, and fluorescence excitation-emission matrices (EEMs) coupled with PARAFAC analysis were used to quantify the abundance, composition and source of DOM and their spatiotemporal variations in Green Bay, Lake Michigan. Concentrations of DOC ranged from 202 to 571μM-C (average=361±73μM-C) in June and from 279 to 610μM-C (average=349±64μM-C) in August. In both months, absorption coefficient at 254nm (a254) was strongly correlated to bulk DOC and was most abundant in the Fox River, attesting a dominant terrestrial input. Non-chromophoric DOC comprised, on average, ~32% of bulk DOC in June with higher terrestrial DOM and ~47% in August with higher aquagenic DOM, indicating that autochthonous and more degraded DOM is of lower optical activity. PARAFAC modeling on EEM data resulted in four major fluorescent DOM components, including two terrestrial humic-like, one aquagenic humic-like, and one protein-like component. Variations in the abundance of DOM components further supported changes in DOM sources. Mixing behavior of DOM components also indicated that while bulk DOM behaved quasi-conservatively, significant compositional changes occurred during transport from the Fox River to the open bay. Copyright © 2016 Elsevier B.V. All rights reserved.

A Bootstrap Generalization of Modified Parallel Analysis for IRT Dimensionality Assessment

ERIC Educational Resources Information Center

Finch, Holmes; Monahan, Patrick

2008-01-01

This article introduces a bootstrap generalization to the Modified Parallel Analysis (MPA) method of test dimensionality assessment using factor analysis. This methodology, based on the use of Marginal Maximum Likelihood nonlinear factor analysis, provides for the calculation of a test statistic based on a parametric bootstrap using the MPA…

Comprehensive quantification of signal-to-noise ratio and g-factor for image-based and k-space-based parallel imaging reconstructions.

PubMed

Robson, Philip M; Grant, Aaron K; Madhuranthakam, Ananth J; Lattanzi, Riccardo; Sodickson, Daniel K; McKenzie, Charles A

2008-10-01

Parallel imaging reconstructions result in spatially varying noise amplification characterized by the g-factor, precluding conventional measurements of noise from the final image. A simple Monte Carlo based method is proposed for all linear image reconstruction algorithms, which allows measurement of signal-to-noise ratio and g-factor and is demonstrated for SENSE and GRAPPA reconstructions for accelerated acquisitions that have not previously been amenable to such assessment. Only a simple "prescan" measurement of noise amplitude and correlation in the phased-array receiver, and a single accelerated image acquisition are required, allowing robust assessment of signal-to-noise ratio and g-factor. The "pseudo multiple replica" method has been rigorously validated in phantoms and in vivo, showing excellent agreement with true multiple replica and analytical methods. This method is universally applicable to the parallel imaging reconstruction techniques used in clinical applications and will allow pixel-by-pixel image noise measurements for all parallel imaging strategies, allowing quantitative comparison between arbitrary k-space trajectories, image reconstruction, or noise conditioning techniques. (c) 2008 Wiley-Liss, Inc.

The effects of pressure anisotropy on Birkeland currents in dipole and stretched magnetospheres

NASA Technical Reports Server (NTRS)

Birmingham, Thomas J.

1992-01-01

Attention is given to two effects which modify the rate of generation of Birkeland currents from the values given by the Vasyliunas (1970) formula in a dipole, namely, nonisotropic plasma pressure and the radial distention of magnetic field lines. The parallel current at any given point is the integrated effect of the diversion of perpendicular currents along the length of the flux tube from the equator. The result for j-parallel in I is fully nonlinear. In a dipole field the effect of anisotropy is modest: j-parallel at the ionosphere is, irrespective of the r0 value, about factor of 2.4 larger for a large P-parallel anisotropy (r = 0.1) than for the isotropic case and factor of 0.2 smaller for r = 10. In the stretched field the comparable values are factor of 10 and factor of 0.06 for a field line intersecting the ionosphere at a dipole colatitude of 16.4 deg and crossing the equator at r0 of 20. The results exhibit differences in plasma density and plasma pressure along field lines between the stretched and dipole models.

Parallel Analysis with Unidimensional Binary Data

ERIC Educational Resources Information Center

Weng, Li-Jen; Cheng, Chung-Ping

2005-01-01

The present simulation investigated the performance of parallel analysis for unidimensional binary data. Single-factor models with 8 and 20 indicators were examined, and sample size (50, 100, 200, 500, and 1,000), factor loading (.45, .70, and .90), response ratio on two categories (50/50, 60/40, 70/30, 80/20, and 90/10), and types of correlation…

The effect of selection environment on the probability of parallel evolution.

PubMed

Bailey, Susan F; Rodrigue, Nicolas; Kassen, Rees

2015-06-01

Across the great diversity of life, there are many compelling examples of parallel and convergent evolution-similar evolutionary changes arising in independently evolving populations. Parallel evolution is often taken to be strong evidence of adaptation occurring in populations that are highly constrained in their genetic variation. Theoretical models suggest a few potential factors driving the probability of parallel evolution, but experimental tests are needed. In this study, we quantify the degree of parallel evolution in 15 replicate populations of Pseudomonas fluorescens evolved in five different environments that varied in resource type and arrangement. We identified repeat changes across multiple levels of biological organization from phenotype, to gene, to nucleotide, and tested the impact of 1) selection environment, 2) the degree of adaptation, and 3) the degree of heterogeneity in the environment on the degree of parallel evolution at the gene-level. We saw, as expected, that parallel evolution occurred more often between populations evolved in the same environment; however, the extent of parallel evolution varied widely. The degree of adaptation did not significantly explain variation in the extent of parallelism in our system but number of available beneficial mutations correlated negatively with parallel evolution. In addition, degree of parallel evolution was significantly higher in populations evolved in a spatially structured, multiresource environment, suggesting that environmental heterogeneity may be an important factor constraining adaptation. Overall, our results stress the importance of environment in driving parallel evolutionary changes and point to a number of avenues for future work for understanding when evolution is predictable. © The Author 2015. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Chrestenson transform FPGA embedded factorizations.

PubMed

Corinthios, Michael J

2016-01-01

Chrestenson generalized Walsh transform factorizations for parallel processing imbedded implementations on field programmable gate arrays are presented. This general base transform, sometimes referred to as the Discrete Chrestenson transform, has received special attention in recent years. In fact, the Discrete Fourier transform and Walsh-Hadamard transform are but special cases of the Chrestenson generalized Walsh transform. Rotations of a base-p hypercube, where p is an arbitrary integer, are shown to produce dynamic contention-free memory allocation, in processor architecture. The approach is illustrated by factorizations involving the processing of matrices of the transform which are function of four variables. Parallel operations are implemented matrix multiplications. Each matrix, of dimension N × N, where N = p (n) , n integer, has a structure that depends on a variable parameter k that denotes the iteration number in the factorization process. The level of parallelism, in the form of M = p (m) processors can be chosen arbitrarily by varying m between zero to its maximum value of n - 1. The result is an equation describing the generalised parallelism factorization as a function of the four variables n, p, k and m. Applications of the approach are shown in relation to configuring field programmable gate arrays for digital signal processing applications.

One Factor or Two Parallel Processes? Comorbidity and Development of Adolescent Anxiety and Depressive Disorder Symptoms

ERIC Educational Resources Information Center

Hale, William W., III; Raaijmakers, Quinten A. W.; Muris, Peter; van Hoof, Anne; Meeus, Wim H. J.

2009-01-01

Background: This study investigates whether anxiety and depressive disorder symptoms of adolescents from the general community are best described by a model that assumes they are indicative of one general factor or by a model that assumes they are two distinct disorders with parallel growth processes. Additional analyses were conducted to explore…

Accuracy of Revised and Traditional Parallel Analyses for Assessing Dimensionality with Binary Data

ERIC Educational Resources Information Center

Green, Samuel B.; Redell, Nickalus; Thompson, Marilyn S.; Levy, Roy

2016-01-01

Parallel analysis (PA) is a useful empirical tool for assessing the number of factors in exploratory factor analysis. On conceptual and empirical grounds, we argue for a revision to PA that makes it more consistent with hypothesis testing. Using Monte Carlo methods, we evaluated the relative accuracy of the revised PA (R-PA) and traditional PA…

Parallel-vector solution of large-scale structural analysis problems on supercomputers

NASA Technical Reports Server (NTRS)

Storaasli, Olaf O.; Nguyen, Duc T.; Agarwal, Tarun K.

1989-01-01

A direct linear equation solution method based on the Choleski factorization procedure is presented which exploits both parallel and vector features of supercomputers. The new equation solver is described, and its performance is evaluated by solving structural analysis problems on three high-performance computers. The method has been implemented using Force, a generic parallel FORTRAN language.

Parallel Reconstruction Using Null Operations (PRUNO)

PubMed Central

Zhang, Jian; Liu, Chunlei; Moseley, Michael E.

2011-01-01

A novel iterative k-space data-driven technique, namely Parallel Reconstruction Using Null Operations (PRUNO), is presented for parallel imaging reconstruction. In PRUNO, both data calibration and image reconstruction are formulated into linear algebra problems based on a generalized system model. An optimal data calibration strategy is demonstrated by using Singular Value Decomposition (SVD). And an iterative conjugate- gradient approach is proposed to efficiently solve missing k-space samples during reconstruction. With its generalized formulation and precise mathematical model, PRUNO reconstruction yields good accuracy, flexibility, stability. Both computer simulation and in vivo studies have shown that PRUNO produces much better reconstruction quality than autocalibrating partially parallel acquisition (GRAPPA), especially under high accelerating rates. With the aid of PRUO reconstruction, ultra high accelerating parallel imaging can be performed with decent image quality. For example, we have done successful PRUNO reconstruction at a reduction factor of 6 (effective factor of 4.44) with 8 coils and only a few autocalibration signal (ACS) lines. PMID:21604290

A dosimetry study comparing NCS report-5, IAEA TRS-381, AAPM TG-51 and IAEA TRS-398 in three clinical electron beam energies

NASA Astrophysics Data System (ADS)

Palmans, Hugo; Nafaa, Laila; de Patoul, Nathalie; Denis, Jean-Marc; Tomsej, Milan; Vynckier, Stefaan

2003-05-01

New codes of practice for reference dosimetry in clinical high-energy photon and electron beams have been published recently, to replace the air kerma based codes of practice that have determined the dosimetry of these beams for the past twenty years. In the present work, we compared dosimetry based on the two most widespread absorbed dose based recommendations (AAPM TG-51 and IAEA TRS-398) with two air kerma based recommendations (NCS report-5 and IAEA TRS-381). Measurements were performed in three clinical electron beam energies using two NE2571-type cylindrical chambers, two Markus-type plane-parallel chambers and two NACP-02-type plane-parallel chambers. Dosimetry based on direct calibrations of all chambers in 60Co was investigated, as well as dosimetry based on cross-calibrations of plane-parallel chambers against a cylindrical chamber in a high-energy electron beam. Furthermore, 60Co perturbation factors for plane-parallel chambers were derived. It is shown that the use of 60Co calibration factors could result in deviations of more than 2% for plane-parallel chambers between the old and new codes of practice, whereas the use of cross-calibration factors, which is the first recommendation in the new codes, reduces the differences to less than 0.8% for all situations investigated here. The results thus show that neither the chamber-to-chamber variations, nor the obtained absolute dose values are significantly altered by changing from air kerma based dosimetry to absorbed dose based dosimetry when using calibration factors obtained from the Laboratory for Standard Dosimetry, Ghent, Belgium. The values of the 60Co perturbation factor for plane-parallel chambers (katt . km for the air kerma based and pwall for the absorbed dose based codes of practice) that are obtained from comparing the results based on 60Co calibrations and cross-calibrations are within the experimental uncertainties in agreement with the results from other investigators.

Binocular optical axis parallelism detection precision analysis based on Monte Carlo method

NASA Astrophysics Data System (ADS)

Ying, Jiaju; Liu, Bingqi

2018-02-01

According to the working principle of the binocular photoelectric instrument optical axis parallelism digital calibration instrument, and in view of all components of the instrument, the various factors affect the system precision is analyzed, and then precision analysis model is established. Based on the error distribution, Monte Carlo method is used to analyze the relationship between the comprehensive error and the change of the center coordinate of the circle target image. The method can further guide the error distribution, optimize control the factors which have greater influence on the comprehensive error, and improve the measurement accuracy of the optical axis parallelism digital calibration instrument.

Single flux quantum voltage amplifiers

NASA Astrophysics Data System (ADS)

Golomidov, Vladimir; Kaplunenko, Vsevolod; Khabipov, Marat; Koshelets, Valery; Kaplunenko, Olga

The novel elements of the Rapid Single Flux Quantum (RSFQ) logic family — a Quasi Digital Voltage Parallel and Series Amplifiers (QDVA) have been computer simulated, designed and experimentally investigated. The Parallel QDVA consists of six stages and provides multiplication of the input voltage with factor five. The output resistance of the QDVA is five times larger than the input so this amplifier seems to be a good matching stage between RSFQL and usual semiconductor electronics. The series QDVA provides a gain factor four and involves two doublers connected by transmission line. The proposed parallel QDVA can be integrated on the same chip with a SQUID sensor.

Exo-reversible staging of coolers in series and in parallel

NASA Astrophysics Data System (ADS)

Maytal, Ben-Zion

2017-10-01

Serial and parallel staging of exo-reversible coolers are formulated, analyzed and compared. The parallel staging includes an extensive parameter which is the proportion of combined stages. This extensive free parameter affects the intensive factors of specific power and figure of merit. Serial staging reduces the 1st Law efficiency and parallel staging improves the 2nd Law efficiency. Comparison of a parallel with a serial staging under common cooling capacity and cooling range, shows that it is always possible to find a parallel arrangement of lower specific power and more compact. Some results are demonstrated on staging of Joule-Thomson cryocoolers (below and above the Joule-Thomson inversion temperature).

A transient FETI methodology for large-scale parallel implicit computations in structural mechanics

NASA Technical Reports Server (NTRS)

Farhat, Charbel; Crivelli, Luis; Roux, Francois-Xavier

1992-01-01

Explicit codes are often used to simulate the nonlinear dynamics of large-scale structural systems, even for low frequency response, because the storage and CPU requirements entailed by the repeated factorizations traditionally found in implicit codes rapidly overwhelm the available computing resources. With the advent of parallel processing, this trend is accelerating because explicit schemes are also easier to parallelize than implicit ones. However, the time step restriction imposed by the Courant stability condition on all explicit schemes cannot yet -- and perhaps will never -- be offset by the speed of parallel hardware. Therefore, it is essential to develop efficient and robust alternatives to direct methods that are also amenable to massively parallel processing because implicit codes using unconditionally stable time-integration algorithms are computationally more efficient when simulating low-frequency dynamics. Here we present a domain decomposition method for implicit schemes that requires significantly less storage than factorization algorithms, that is several times faster than other popular direct and iterative methods, that can be easily implemented on both shared and local memory parallel processors, and that is both computationally and communication-wise efficient. The proposed transient domain decomposition method is an extension of the method of Finite Element Tearing and Interconnecting (FETI) developed by Farhat and Roux for the solution of static problems. Serial and parallel performance results on the CRAY Y-MP/8 and the iPSC-860/128 systems are reported and analyzed for realistic structural dynamics problems. These results establish the superiority of the FETI method over both the serial/parallel conjugate gradient algorithm with diagonal scaling and the serial/parallel direct method, and contrast the computational power of the iPSC-860/128 parallel processor with that of the CRAY Y-MP/8 system.

Sources and fate of chromophoric dissolved organic matter and water mass ventilation in the upper Arctic Ocean

NASA Astrophysics Data System (ADS)

Walker, S. A.; Amon, R. M.; Stedmon, C. A.

2011-12-01

The majority of high latitude soil organic carbon is stored within vast permafrost regions surrounding the Arctic, which are highly susceptible to climate change. As global warming persists increased river discharge combined with permafrost erosion and extended ice free periods will increase the supply of soil organic carbon to the Arctic Ocean. Increased river discharge to the Arctic will also have a significant impact its hydrological cycle and could potentially be critical to sea ice formation. This impact is due to freshwater discharge to the Arctic which has been shown to help sustain halocline formation, a critical water mass that acts as an insulator trapping heat from inflowing Atlantic waters from ice at the surface. As the climate warms it is therefore important to identify halocline source waters and to determine fluctuations in their contribution to this critical water mass. To better understand dissolved organic matter (DOM) quality and its fate within the Arctic as well as runoff distributions across the basin the optical properties of chromophoric dissolved organic carbon (CDOM) were evaluated during a trans-Arctic expedition, AOS 2005. This cruise is unique because it is the first time fluorescence data have been obtained from all basins in the Arctic. Excitation/Emission Matrix Spectroscopy (EEM's) coupled to Parallel Factor Analysis (PARAFAC) was used to decompose the combined CDOM fluorescence signal into six independent components that can be traced to a source. Three humic-like CDOM components were isolated and linked to runoff waters using Principal Component Analysis (PCA). Inherent differences were observed between Eurasian (EB) and Canadian (CB) basin surface waters in terms of DOM quality and freshwater distributions. In EB surface waters (0-50m) the humic-like CDOM components explained roughly half of the variance in the DOC pool and were strongly related to lignin phenol concentrations. These results indicate CDOM in Trans-Polar Drift waters are dominated by terrestrial inputs and suggest this water mass likely originated from Eurasian runoff. In CB surface waters (0-50m) the humic-like CDOM signal was depleted and unrelated to lignin phenol concentrations. These results were unexpected given the significant inputs of runoff predicted in CB surface waters during AOS 2005 using alkalinity/salinity relationships by Jones et al., 2008. In CB halocline waters (50-300m), a significant relationship was observed between the humic-like CDOM components and apparent oxygen utilization, CO2, and nutrient concentrations suggesting degradation and marine secondary production has a significant effect on the quality of DOM in these waters. Overall, the ability to differentiate and qualitatively trace the different sources of fluorescent components and determine the underlying factors controlling CDOM speciation during transport and mixing opens new possibilities for the use of CDOM as a more specific tracer in oceanography.

Analysis on detection accuracy of binocular photoelectric instrument optical axis parallelism digital calibration instrument

NASA Astrophysics Data System (ADS)

Ying, Jia-ju; Yin, Jian-ling; Wu, Dong-sheng; Liu, Jie; Chen, Yu-dan

2017-11-01

Low-light level night vision device and thermal infrared imaging binocular photoelectric instrument are used widely. The maladjustment of binocular instrument ocular axises parallelism will cause the observer the symptom such as dizziness, nausea, when use for a long time. Binocular photoelectric equipment digital calibration instrument is developed for detecting ocular axises parallelism. And the quantitative value of optical axis deviation can be quantitatively measured. As a testing instrument, the precision must be much higher than the standard of test instrument. Analyzes the factors that influence the accuracy of detection. Factors exist in each testing process link which affect the precision of the detecting instrument. They can be divided into two categories, one category is factors which directly affect the position of reticle image, the other category is factors which affect the calculation the center of reticle image. And the Synthesize error is calculated out. And further distribute the errors reasonably to ensure the accuracy of calibration instruments.

Optimisation of a parallel ocean general circulation model

NASA Astrophysics Data System (ADS)

Beare, M. I.; Stevens, D. P.

1997-10-01

This paper presents the development of a general-purpose parallel ocean circulation model, for use on a wide range of computer platforms, from traditional scalar machines to workstation clusters and massively parallel processors. Parallelism is provided, as a modular option, via high-level message-passing routines, thus hiding the technical intricacies from the user. An initial implementation highlights that the parallel efficiency of the model is adversely affected by a number of factors, for which optimisations are discussed and implemented. The resulting ocean code is portable and, in particular, allows science to be achieved on local workstations that could otherwise only be undertaken on state-of-the-art supercomputers.

Theoretical Compton profile anisotropies in molecules and solids. IV. Parallel--perpendicular anisotropies in alkali fluoride molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matcha, R.L.; Pettitt, B.M.; Ramirez, B.I.

1979-07-15

Calculations of Compton profiles and parallel--perpendicular anisotropies in alkali fluorides are presented and analyzed in terms of molecular charge distributions and wave function character. It is found that the parallel profile associated with the valence pi orbital is the principal factor determining the relative shapes of the total profile anisotropies in the low momentum region.

Exploiting Symmetry on Parallel Architectures.

NASA Astrophysics Data System (ADS)

Stiller, Lewis Benjamin

1995-01-01

This thesis describes techniques for the design of parallel programs that solve well-structured problems with inherent symmetry. Part I demonstrates the reduction of such problems to generalized matrix multiplication by a group-equivariant matrix. Fast techniques for this multiplication are described, including factorization, orbit decomposition, and Fourier transforms over finite groups. Our algorithms entail interaction between two symmetry groups: one arising at the software level from the problem's symmetry and the other arising at the hardware level from the processors' communication network. Part II illustrates the applicability of our symmetry -exploitation techniques by presenting a series of case studies of the design and implementation of parallel programs. First, a parallel program that solves chess endgames by factorization of an associated dihedral group-equivariant matrix is described. This code runs faster than previous serial programs, and discovered it a number of results. Second, parallel algorithms for Fourier transforms for finite groups are developed, and preliminary parallel implementations for group transforms of dihedral and of symmetric groups are described. Applications in learning, vision, pattern recognition, and statistics are proposed. Third, parallel implementations solving several computational science problems are described, including the direct n-body problem, convolutions arising from molecular biology, and some communication primitives such as broadcast and reduce. Some of our implementations ran orders of magnitude faster than previous techniques, and were used in the investigation of various physical phenomena.

Task Parallel Incomplete Cholesky Factorization using 2D Partitioned-Block Layout

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Kyungjoo; Rajamanickam, Sivasankaran; Stelle, George Widgery

We introduce a task-parallel algorithm for sparse incomplete Cholesky factorization that utilizes a 2D sparse partitioned-block layout of a matrix. Our factorization algorithm follows the idea of algorithms-by-blocks by using the block layout. The algorithm-byblocks approach induces a task graph for the factorization. These tasks are inter-related to each other through their data dependences in the factorization algorithm. To process the tasks on various manycore architectures in a portable manner, we also present a portable tasking API that incorporates different tasking backends and device-specific features using an open-source framework for manycore platforms i.e., Kokkos. A performance evaluation is presented onmore » both Intel Sandybridge and Xeon Phi platforms for matrices from the University of Florida sparse matrix collection to illustrate merits of the proposed task-based factorization. Experimental results demonstrate that our task-parallel implementation delivers about 26.6x speedup (geometric mean) over single-threaded incomplete Choleskyby- blocks and 19.2x speedup over serial Cholesky performance which does not carry tasking overhead using 56 threads on the Intel Xeon Phi processor for sparse matrices arising from various application problems.« less

A Domain Decomposition Parallelization of the Fast Marching Method

NASA Technical Reports Server (NTRS)

Herrmann, M.

2003-01-01

In this paper, the first domain decomposition parallelization of the Fast Marching Method for level sets has been presented. Parallel speedup has been demonstrated in both the optimal and non-optimal domain decomposition case. The parallel performance of the proposed method is strongly dependent on load balancing separately the number of nodes on each side of the interface. A load imbalance of nodes on either side of the domain leads to an increase in communication and rollback operations. Furthermore, the amount of inter-domain communication can be reduced by aligning the inter-domain boundaries with the interface normal vectors. In the case of optimal load balancing and aligned inter-domain boundaries, the proposed parallel FMM algorithm is highly efficient, reaching efficiency factors of up to 0.98. Future work will focus on the extension of the proposed parallel algorithm to higher order accuracy. Also, to further enhance parallel performance, the coupling of the domain decomposition parallelization to the G(sub 0)-based parallelization will be investigated.

Parallel Event Analysis Under Unix

NASA Astrophysics Data System (ADS)

Looney, S.; Nilsson, B. S.; Oest, T.; Pettersson, T.; Ranjard, F.; Thibonnier, J.-P.

The ALEPH experiment at LEP, the CERN CN division and Digital Equipment Corp. have, in a joint project, developed a parallel event analysis system. The parallel physics code is identical to ALEPH's standard analysis code, ALPHA, only the organisation of input/output is changed. The user may switch between sequential and parallel processing by simply changing one input "card". The initial implementation runs on an 8-node DEC 3000/400 farm, using the PVM software, and exhibits a near-perfect speed-up linearity, reducing the turn-around time by a factor of 8.

Wake turbulence limits on paired approaches to parallel runways

DOT National Transportation Integrated Search

2002-07-01

Wake turbulence considerations currently restrict the use of parallel runways less than 2500 ft (762 m) apart. : However, wake turbulence is not a factor if there are appropriate limits on allowed longitudinal pair spacings : and/or allowed crosswind...

Tuning iteration space slicing based tiled multi-core code implementing Nussinov's RNA folding.

PubMed

Palkowski, Marek; Bielecki, Wlodzimierz

2018-01-15

RNA folding is an ongoing compute-intensive task of bioinformatics. Parallelization and improving code locality for this kind of algorithms is one of the most relevant areas in computational biology. Fortunately, RNA secondary structure approaches, such as Nussinov's recurrence, involve mathematical operations over affine control loops whose iteration space can be represented by the polyhedral model. This allows us to apply powerful polyhedral compilation techniques based on the transitive closure of dependence graphs to generate parallel tiled code implementing Nussinov's RNA folding. Such techniques are within the iteration space slicing framework - the transitive dependences are applied to the statement instances of interest to produce valid tiles. The main problem at generating parallel tiled code is defining a proper tile size and tile dimension which impact parallelism degree and code locality. To choose the best tile size and tile dimension, we first construct parallel parametric tiled code (parameters are variables defining tile size). With this purpose, we first generate two nonparametric tiled codes with different fixed tile sizes but with the same code structure and then derive a general affine model, which describes all integer factors available in expressions of those codes. Using this model and known integer factors present in the mentioned expressions (they define the left-hand side of the model), we find unknown integers in this model for each integer factor available in the same fixed tiled code position and replace in this code expressions, including integer factors, with those including parameters. Then we use this parallel parametric tiled code to implement the well-known tile size selection (TSS) technique, which allows us to discover in a given search space the best tile size and tile dimension maximizing target code performance. For a given search space, the presented approach allows us to choose the best tile size and tile dimension in parallel tiled code implementing Nussinov's RNA folding. Experimental results, received on modern Intel multi-core processors, demonstrate that this code outperforms known closely related implementations when the length of RNA strands is bigger than 2500.

Parallel MR Imaging with Accelerations Beyond the Number of Receiver Channels Using Real Image Reconstruction.

PubMed

Ji, Jim; Wright, Steven

2005-01-01

Parallel imaging using multiple phased-array coils and receiver channels has become an effective approach to high-speed magnetic resonance imaging (MRI). To obtain high spatiotemporal resolution, the k-space is subsampled and later interpolated using multiple channel data. Higher subsampling factors result in faster image acquisition. However, the subsampling factors are upper-bounded by the number of parallel channels. Phase constraints have been previously proposed to overcome this limitation with some success. In this paper, we demonstrate that in certain applications it is possible to obtain acceleration factors potentially up to twice the channel numbers by using a real image constraint. Data acquisition and processing methods to manipulate and estimate of the image phase information are presented for improving image reconstruction. In-vivo brain MRI experimental results show that accelerations up to 6 are feasible with 4-channel data.

Characterization of Organic Matter Sources within a Matrix of Land Use in Northeast Utah

NASA Astrophysics Data System (ADS)

Kelso, J. E.; Baker, M. A.

2017-12-01

Dynamics of organic matter (OM) sources in natural aquatic systems have been studied for decades, but urban studies have revealed additional, less studied, OM sources such as stormwater, lawn clippings, and wastewater effluent. Traditionally the OM pool in freshwater systems has been defined as a homogenous pool of varying size classes: course particulate, fine particulate and dissolved OM. Our goal was to identify and quantify the composition of fine particulate OM (FPOM), and dissolved OM (DOM) as derived from autochthonous, terrestrial, and potential anthropogenic sources. We hypothesized anthropogenic changes in land use have increased the proportion of autochthonous sources of OM. We sampled OM at 33 sites in four watersheds in northeast Utah that encompass a range of land uses. Stable isotopes of carbon, nitrogen, and deuterium were collected for all size classes of OM, and DOM was analyzed with a spectrofluorometer. Stable isotopes were used to estimate the proportion of autochthonous and terrestrial sources of OM. Fluorescence indices and a PARAFAC model were created from DOM excitation emission matrices (EEMs). FPOM appeared to be a mixture of autochthonous and terrestrial sources but overlap in endmember isotope values made quantifying the proportion of each source difficult. Higher deuterium values (-120 to -80‰) were associated with sites receiving wastewater effluent, while sites with agriculture, forest, and urban land use had lower deuterium isotope values (-200 to -110). DOM Excitation Emission Matrices were resolved into a 5-component PARAFAC model. The percent of protein-like DOM components tended to be higher in urban versus non-urban sites (mean 35%, S.D. 12% versus mean 25%, S.D. 15%). We concluded deuterium isotopes may be used as a tracer or wastewater effluent and DOM is composed of more labile, protein-like DOM with increased wastewater input. A greater understanding of the sources of OM can inform management and policy decisions aimed at mitigating the effects of OM pollution. For example, evaluating tradeoffs between mitigating the effects of OM inputs from cattle grazing versus building or improving waste water treatment facilities can be further explored.

Feasibility and its characteristics of CO2 laser micromachining-based PMMA anti-scattering grid estimated by MCNP code simulation.

PubMed

Bae, Jun Woo; Kim, Hee Reyoung

2018-01-01

Anti-scattering grid has been used to improve the image quality. However, applying a commonly used linear or parallel grid would cause image distortion, and focusing grid also requires a precise fabrication technology, which is expensive. To investigate and analyze whether using CO2 laser micromachining-based PMMA anti-scattering grid can improve the performance of the grid at a lower cost. Thus, improvement of grid performance would result in improvement of image quality. The cross-sectional shape of CO2 laser machined PMMA is similar to alphabet 'V'. The performance was characterized by contrast improvement factor (CIF) and Bucky. Four types of grid were tested, which include thin parallel, thick parallel, 'V'-type and 'inverse V'-type of grid. For a Bucky factor of 2.1, the CIF of the grid with both the "V" and inverse "V" had a value of 1.53, while the thick and thick parallel types had values of 1.43 and 1.65, respectively. The 'V' shape grid manufacture by CO2 laser micromachining showed higher CIF than parallel one, which had same shielding material channel width. It was thought that the 'V' shape grid would be replacement to the conventional parallel grid if it is hard to fabricate the high-aspect-ratio grid.

Parallel traveling-wave MRI: a feasibility study.

PubMed

Pang, Yong; Vigneron, Daniel B; Zhang, Xiaoliang

2012-04-01

Traveling-wave magnetic resonance imaging utilizes far fields of a single-piece patch antenna in the magnet bore to generate radio frequency fields for imaging large-size samples, such as the human body. In this work, the feasibility of applying the "traveling-wave" technique to parallel imaging is studied using microstrip patch antenna arrays with both the numerical analysis and experimental tests. A specific patch array model is built and each array element is a microstrip patch antenna. Bench tests show that decoupling between two adjacent elements is better than -26-dB while matching of each element reaches -36-dB, demonstrating excellent isolation performance and impedance match capability. The sensitivity patterns are simulated and g-factors are calculated for both unloaded and loaded cases. The results on B 1- sensitivity patterns and g-factors demonstrate the feasibility of the traveling-wave parallel imaging. Simulations also suggest that different array configuration such as patch shape, position and orientation leads to different sensitivity patterns and g-factor maps, which provides a way to manipulate B(1) fields and improve the parallel imaging performance. The proposed method is also validated by using 7T MR imaging experiments. Copyright © 2011 Wiley-Liss, Inc.

Parallel database search and prime factorization with magnonic holographic memory devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khitun, Alexander

In this work, we describe the capabilities of Magnonic Holographic Memory (MHM) for parallel database search and prime factorization. MHM is a type of holographic device, which utilizes spin waves for data transfer and processing. Its operation is based on the correlation between the phases and the amplitudes of the input spin waves and the output inductive voltage. The input of MHM is provided by the phased array of spin wave generating elements allowing the producing of phase patterns of an arbitrary form. The latter makes it possible to code logic states into the phases of propagating waves and exploitmore » wave superposition for parallel data processing. We present the results of numerical modeling illustrating parallel database search and prime factorization. The results of numerical simulations on the database search are in agreement with the available experimental data. The use of classical wave interference may results in a significant speedup over the conventional digital logic circuits in special task data processing (e.g., √n in database search). Potentially, magnonic holographic devices can be implemented as complementary logic units to digital processors. Physical limitations and technological constrains of the spin wave approach are also discussed.« less

Parallel database search and prime factorization with magnonic holographic memory devices

NASA Astrophysics Data System (ADS)

Khitun, Alexander

2015-12-01

In this work, we describe the capabilities of Magnonic Holographic Memory (MHM) for parallel database search and prime factorization. MHM is a type of holographic device, which utilizes spin waves for data transfer and processing. Its operation is based on the correlation between the phases and the amplitudes of the input spin waves and the output inductive voltage. The input of MHM is provided by the phased array of spin wave generating elements allowing the producing of phase patterns of an arbitrary form. The latter makes it possible to code logic states into the phases of propagating waves and exploit wave superposition for parallel data processing. We present the results of numerical modeling illustrating parallel database search and prime factorization. The results of numerical simulations on the database search are in agreement with the available experimental data. The use of classical wave interference may results in a significant speedup over the conventional digital logic circuits in special task data processing (e.g., √n in database search). Potentially, magnonic holographic devices can be implemented as complementary logic units to digital processors. Physical limitations and technological constrains of the spin wave approach are also discussed.

A model for optimizing file access patterns using spatio-temporal parallelism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boonthanome, Nouanesengsy; Patchett, John; Geveci, Berk

2013-01-01

For many years now, I/O read time has been recognized as the primary bottleneck for parallel visualization and analysis of large-scale data. In this paper, we introduce a model that can estimate the read time for a file stored in a parallel filesystem when given the file access pattern. Read times ultimately depend on how the file is stored and the access pattern used to read the file. The file access pattern will be dictated by the type of parallel decomposition used. We employ spatio-temporal parallelism, which combines both spatial and temporal parallelism, to provide greater flexibility to possible filemore » access patterns. Using our model, we were able to configure the spatio-temporal parallelism to design optimized read access patterns that resulted in a speedup factor of approximately 400 over traditional file access patterns.« less

High sensitivity and high Q-factor nanoslotted parallel quadrabeam photonic crystal cavity for real-time and label-free sensing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Daquan; State Key Laboratory of Information Photonics and Optical Communications, School of Information and Communication Engineering, Beijing University of Posts and Telecommunications, Beijing 100876; School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138

We experimentally demonstrate a label-free sensor based on nanoslotted parallel quadrabeam photonic crystal cavity (NPQC). The NPQC possesses both high sensitivity and high Q-factor. We achieved sensitivity (S) of 451 nm/refractive index unit and Q-factor >7000 in water at telecom wavelength range, featuring a sensor figure of merit >2000, an order of magnitude improvement over the previous photonic crystal sensors. In addition, we measured the streptavidin-biotin binding affinity and detected 10 ag/mL concentrated streptavidin in the phosphate buffered saline solution.

Bilingual parallel programming

DOE Office of Scientific and Technical Information (OSTI.GOV)

Foster, I.; Overbeek, R.

1990-01-01

Numerous experiments have demonstrated that computationally intensive algorithms support adequate parallelism to exploit the potential of large parallel machines. Yet successful parallel implementations of serious applications are rare. The limiting factor is clearly programming technology. None of the approaches to parallel programming that have been proposed to date -- whether parallelizing compilers, language extensions, or new concurrent languages -- seem to adequately address the central problems of portability, expressiveness, efficiency, and compatibility with existing software. In this paper, we advocate an alternative approach to parallel programming based on what we call bilingual programming. We present evidence that this approach providesmore » and effective solution to parallel programming problems. The key idea in bilingual programming is to construct the upper levels of applications in a high-level language while coding selected low-level components in low-level languages. This approach permits the advantages of a high-level notation (expressiveness, elegance, conciseness) to be obtained without the cost in performance normally associated with high-level approaches. In addition, it provides a natural framework for reusing existing code.« less

AZTEC: A parallel iterative package for the solving linear systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hutchinson, S.A.; Shadid, J.N.; Tuminaro, R.S.

1996-12-31

We describe a parallel linear system package, AZTEC. The package incorporates a number of parallel iterative methods (e.g. GMRES, biCGSTAB, CGS, TFQMR) and preconditioners (e.g. Jacobi, Gauss-Seidel, polynomial, domain decomposition with LU or ILU within subdomains). Additionally, AZTEC allows for the reuse of previous preconditioning factorizations within Newton schemes for nonlinear methods. Currently, a number of different users are using this package to solve a variety of PDE applications.

Study on fluorescence spectra of thiamine, riboflavin and pyridoxine

NASA Astrophysics Data System (ADS)

Yang, Hui; Xiao, Xue; Zhao, Xuesong; Hu, Lan; Lv, Caofang; Yin, Zhangkun

2016-01-01

This paper presents the intrinsic fluorescence characteristics of vitamin B1, B2 and B6 measured with 3D fluorescence Spectrophotometer. Three strong fluorescence areas of vitamin B2 locate at λex/λem=270/525nm, 370/525nm and 450/525nm, one fluorescence areas of vitamin B1 locates at λex/λem=370/460nm, two fluorescence areas of vitamin B6 locate at λex/λem=250/370nm and 325/370nm were found. The influence of pH of solution to the fluorescence profile was also discussed. Using the PARAFAC algorithm, 10 vitamin B1, B2 and B6 mixed solutions were successfully decomposed, and the emission profiles, excitation profiles, central wavelengths and the concentration of the three components were retrieved precisely through about 5 iteration times.

New Factorization Techniques and Parallel (log N) Algorithms for Forward Dynamics Solution of Single Closed-Chain Robot Manipulators

NASA Technical Reports Server (NTRS)

Fijany, Amir

1993-01-01

In this paper parallel 0(log N) algorithms for dynamic simulation of single closed-chain rigid multibody system as specialized to the case of a robot manipulatoar in contact with the environment are developed.

A performance study of sparse Cholesky factorization on INTEL iPSC/860

NASA Technical Reports Server (NTRS)

Zubair, M.; Ghose, M.

1992-01-01

The problem of Cholesky factorization of a sparse matrix has been very well investigated on sequential machines. A number of efficient codes exist for factorizing large unstructured sparse matrices. However, there is a lack of such efficient codes on parallel machines in general, and distributed machines in particular. Some of the issues that are critical to the implementation of sparse Cholesky factorization on a distributed memory parallel machine are ordering, partitioning and mapping, load balancing, and ordering of various tasks within a processor. Here, we focus on the effect of various partitioning schemes on the performance of sparse Cholesky factorization on the Intel iPSC/860. Also, a new partitioning heuristic for structured as well as unstructured sparse matrices is proposed, and its performance is compared with other schemes.

Mining nutrigenetics patterns related to obesity: use of parallel multifactor dimensionality reduction.

PubMed

Karayianni, Katerina N; Grimaldi, Keith A; Nikita, Konstantina S; Valavanis, Ioannis K

2015-01-01

This paper aims to enlighten the complex etiology beneath obesity by analysing data from a large nutrigenetics study, in which nutritional and genetic factors associated with obesity were recorded for around two thousand individuals. In our previous work, these data have been analysed using artificial neural network methods, which identified optimised subsets of factors to predict one's obesity status. These methods did not reveal though how the selected factors interact with each other in the obtained predictive models. For that reason, parallel Multifactor Dimensionality Reduction (pMDR) was used here to further analyse the pre-selected subsets of nutrigenetic factors. Within pMDR, predictive models using up to eight factors were constructed, further reducing the input dimensionality, while rules describing the interactive effects of the selected factors were derived. In this way, it was possible to identify specific genetic variations and their interactive effects with particular nutritional factors, which are now under further study.

Quantitative metrics for evaluating parallel acquisition techniques in diffusion tensor imaging at 3 Tesla.

PubMed

Ardekani, Siamak; Selva, Luis; Sayre, James; Sinha, Usha

2006-11-01

Single-shot echo-planar based diffusion tensor imaging is prone to geometric and intensity distortions. Parallel imaging is a means of reducing these distortions while preserving spatial resolution. A quantitative comparison at 3 T of parallel imaging for diffusion tensor images (DTI) using k-space (generalized auto-calibrating partially parallel acquisitions; GRAPPA) and image domain (sensitivity encoding; SENSE) reconstructions at different acceleration factors, R, is reported here. Images were evaluated using 8 human subjects with repeated scans for 2 subjects to estimate reproducibility. Mutual information (MI) was used to assess the global changes in geometric distortions. The effects of parallel imaging techniques on random noise and reconstruction artifacts were evaluated by placing 26 regions of interest and computing the standard deviation of apparent diffusion coefficient and fractional anisotropy along with the error of fitting the data to the diffusion model (residual error). The larger positive values in mutual information index with increasing R values confirmed the anticipated decrease in distortions. Further, the MI index of GRAPPA sequences for a given R factor was larger than the corresponding mSENSE images. The residual error was lowest in the images acquired without parallel imaging and among the parallel reconstruction methods, the R = 2 acquisitions had the least error. The standard deviation, accuracy, and reproducibility of the apparent diffusion coefficient and fractional anisotropy in homogenous tissue regions showed that GRAPPA acquired with R = 2 had the least amount of systematic and random noise and of these, significant differences with mSENSE, R = 2 were found only for the fractional anisotropy index. Evaluation of the current implementation of parallel reconstruction algorithms identified GRAPPA acquired with R = 2 as optimal for diffusion tensor imaging.

Using Perturbed QR Factorizations To Solve Linear Least-Squares Problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Avron, Haim; Ng, Esmond G.; Toledo, Sivan

2008-03-21

We propose and analyze a new tool to help solve sparse linear least-squares problems min{sub x} {parallel}Ax-b{parallel}{sub 2}. Our method is based on a sparse QR factorization of a low-rank perturbation {cflx A} of A. More precisely, we show that the R factor of {cflx A} is an effective preconditioner for the least-squares problem min{sub x} {parallel}Ax-b{parallel}{sub 2}, when solved using LSQR. We propose applications for the new technique. When A is rank deficient we can add rows to ensure that the preconditioner is well-conditioned without column pivoting. When A is sparse except for a few dense rows we canmore » drop these dense rows from A to obtain {cflx A}. Another application is solving an updated or downdated problem. If R is a good preconditioner for the original problem A, it is a good preconditioner for the updated/downdated problem {cflx A}. We can also solve what-if scenarios, where we want to find the solution if a column of the original matrix is changed/removed. We present a spectral theory that analyzes the generalized spectrum of the pencil (A*A,R*R) and analyze the applications.« less

Parallel-vector computation for linear structural analysis and non-linear unconstrained optimization problems

NASA Technical Reports Server (NTRS)

Nguyen, D. T.; Al-Nasra, M.; Zhang, Y.; Baddourah, M. A.; Agarwal, T. K.; Storaasli, O. O.; Carmona, E. A.

1991-01-01

Several parallel-vector computational improvements to the unconstrained optimization procedure are described which speed up the structural analysis-synthesis process. A fast parallel-vector Choleski-based equation solver, pvsolve, is incorporated into the well-known SAP-4 general-purpose finite-element code. The new code, denoted PV-SAP, is tested for static structural analysis. Initial results on a four processor CRAY 2 show that using pvsolve reduces the equation solution time by a factor of 14-16 over the original SAP-4 code. In addition, parallel-vector procedures for the Golden Block Search technique and the BFGS method are developed and tested for nonlinear unconstrained optimization. A parallel version of an iterative solver and the pvsolve direct solver are incorporated into the BFGS method. Preliminary results on nonlinear unconstrained optimization test problems, using pvsolve in the analysis, show excellent parallel-vector performance indicating that these parallel-vector algorithms can be used in a new generation of finite-element based structural design/analysis-synthesis codes.

Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding

DOE PAGES

Zhang, Hong; Zapol, Peter; Dixon, David A.; ...

2015-11-17

The Shift-and-invert parallel spectral transformations (SIPs), a computational approach to solve sparse eigenvalue problems, is developed for massively parallel architectures with exceptional parallel scalability and robustness. The capabilities of SIPs are demonstrated by diagonalization of density-functional based tight-binding (DFTB) Hamiltonian and overlap matrices for single-wall metallic carbon nanotubes, diamond nanowires, and bulk diamond crystals. The largest (smallest) example studied is a 128,000 (2000) atom nanotube for which ~330,000 (~5600) eigenvalues and eigenfunctions are obtained in ~190 (~5) seconds when parallelized over 266,144 (16,384) Blue Gene/Q cores. Weak scaling and strong scaling of SIPs are analyzed and the performance of SIPsmore » is compared with other novel methods. Different matrix ordering methods are investigated to reduce the cost of the factorization step, which dominates the time-to-solution at the strong scaling limit. As a result, a parallel implementation of assembling the density matrix from the distributed eigenvectors is demonstrated.« less

Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Hong; Zapol, Peter; Dixon, David A.

The Shift-and-invert parallel spectral transformations (SIPs), a computational approach to solve sparse eigenvalue problems, is developed for massively parallel architectures with exceptional parallel scalability and robustness. The capabilities of SIPs are demonstrated by diagonalization of density-functional based tight-binding (DFTB) Hamiltonian and overlap matrices for single-wall metallic carbon nanotubes, diamond nanowires, and bulk diamond crystals. The largest (smallest) example studied is a 128,000 (2000) atom nanotube for which ~330,000 (~5600) eigenvalues and eigenfunctions are obtained in ~190 (~5) seconds when parallelized over 266,144 (16,384) Blue Gene/Q cores. Weak scaling and strong scaling of SIPs are analyzed and the performance of SIPsmore » is compared with other novel methods. Different matrix ordering methods are investigated to reduce the cost of the factorization step, which dominates the time-to-solution at the strong scaling limit. As a result, a parallel implementation of assembling the density matrix from the distributed eigenvectors is demonstrated.« less

Dimensionality Assessment of Ordered Polytomous Items with Parallel Analysis

ERIC Educational Resources Information Center

Timmerman, Marieke E.; Lorenzo-Seva, Urbano

2011-01-01

Parallel analysis (PA) is an often-recommended approach for assessment of the dimensionality of a variable set. PA is known in different variants, which may yield different dimensionality indications. In this article, the authors considered the most appropriate PA procedure to assess the number of common factors underlying ordered polytomously…

Parallel/Vector Integration Methods for Dynamical Astronomy

NASA Astrophysics Data System (ADS)

Fukushima, Toshio

1999-01-01

This paper reviews three recent works on the numerical methods to integrate ordinary differential equations (ODE), which are specially designed for parallel, vector, and/or multi-processor-unit(PU) computers. The first is the Picard-Chebyshev method (Fukushima, 1997a). It obtains a global solution of ODE in the form of Chebyshev polynomial of large (> 1000) degree by applying the Picard iteration repeatedly. The iteration converges for smooth problems and/or perturbed dynamics. The method runs around 100-1000 times faster in the vector mode than in the scalar mode of a certain computer with vector processors (Fukushima, 1997b). The second is a parallelization of a symplectic integrator (Saha et al., 1997). It regards the implicit midpoint rules covering thousands of timesteps as large-scale nonlinear equations and solves them by the fixed-point iteration. The method is applicable to Hamiltonian systems and is expected to lead an acceleration factor of around 50 in parallel computers with more than 1000 PUs. The last is a parallelization of the extrapolation method (Ito and Fukushima, 1997). It performs trial integrations in parallel. Also the trial integrations are further accelerated by balancing computational load among PUs by the technique of folding. The method is all-purpose and achieves an acceleration factor of around 3.5 by using several PUs. Finally, we give a perspective on the parallelization of some implicit integrators which require multiple corrections in solving implicit formulas like the implicit Hermitian integrators (Makino and Aarseth, 1992), (Hut et al., 1995) or the implicit symmetric multistep methods (Fukushima, 1998), (Fukushima, 1999).

A parallel algorithm for 2D visco-acoustic frequency-domain full-waveform inversion: application to a dense OBS data set

NASA Astrophysics Data System (ADS)

Sourbier, F.; Operto, S.; Virieux, J.

2006-12-01

We present a distributed-memory parallel algorithm for 2D visco-acoustic full-waveform inversion of wide-angle seismic data. Our code is written in fortran90 and use MPI for parallelism. The algorithm was applied to real wide-angle data set recorded by 100 OBSs with a 1-km spacing in the eastern-Nankai trough (Japan) to image the deep structure of the subduction zone. Full-waveform inversion is applied sequentially to discrete frequencies by proceeding from the low to the high frequencies. The inverse problem is solved with a classic gradient method. Full-waveform modeling is performed with a frequency-domain finite-difference method. In the frequency-domain, solving the wave equation requires resolution of a large unsymmetric system of linear equations. We use the massively parallel direct solver MUMPS (http://www.enseeiht.fr/irit/apo/MUMPS) for distributed-memory computer to solve this system. The MUMPS solver is based on a multifrontal method for the parallel factorization. The MUMPS algorithm is subdivided in 3 main steps: a symbolic analysis step that performs re-ordering of the matrix coefficients to minimize the fill-in of the matrix during the subsequent factorization and an estimation of the assembly tree of the matrix. Second, the factorization is performed with dynamic scheduling to accomodate numerical pivoting and provides the LU factors distributed over all the processors. Third, the resolution is performed for multiple sources. To compute the gradient of the cost function, 2 simulations per shot are required (one to compute the forward wavefield and one to back-propagate residuals). The multi-source resolutions can be performed in parallel with MUMPS. In the end, each processor stores in core a sub-domain of all the solutions. These distributed solutions can be exploited to compute in parallel the gradient of the cost function. Since the gradient of the cost function is a weighted stack of the shot and residual solutions of MUMPS, each processor computes the corresponding sub-domain of the gradient. In the end, the gradient is centralized on the master processor using a collective communation. The gradient is scaled by the diagonal elements of the Hessian matrix. This scaling is computed only once per frequency before the first iteration of the inversion. Estimation of the diagonal terms of the Hessian requires performing one simulation per non redondant shot and receiver position. The same strategy that the one used for the gradient is used to compute the diagonal Hessian in parallel. This algorithm was applied to a dense wide-angle data set recorded by 100 OBSs in the eastern Nankai trough, offshore Japan. Thirteen frequencies ranging from 3 and 15 Hz were inverted. Tweny iterations per frequency were computed leading to 260 tomographic velocity models of increasing resolution. The velocity model dimensions are 105 km x 25 km corresponding to a finite-difference grid of 4201 x 1001 grid with a 25-m grid interval. The number of shot was 1005 and the number of inverted OBS gathers was 93. The inversion requires 20 days on 6 32-bits bi-processor nodes with 4 Gbytes of RAM memory per node when only the LU factorization is performed in parallel. Preliminary estimations of the time required to perform the inversion with the fully-parallelized code is 6 and 4 days using 20 and 50 processors respectively.

Characterizing and Mitigating Work Time Inflation in Task Parallel Programs

DOE PAGES

Olivier, Stephen L.; de Supinski, Bronis R.; Schulz, Martin; ...

2013-01-01

Task parallelism raises the level of abstraction in shared memory parallel programming to simplify the development of complex applications. However, task parallel applications can exhibit poor performance due to thread idleness, scheduling overheads, and work time inflation – additional time spent by threads in a multithreaded computation beyond the time required to perform the same work in a sequential computation. We identify the contributions of each factor to lost efficiency in various task parallel OpenMP applications and diagnose the causes of work time inflation in those applications. Increased data access latency can cause significant work time inflation in NUMA systems.more » Our locality framework for task parallel OpenMP programs mitigates this cause of work time inflation. Our extensions to the Qthreads library demonstrate that locality-aware scheduling can improve performance up to 3X compared to the Intel OpenMP task scheduler.« less

Solving very large, sparse linear systems on mesh-connected parallel computers

NASA Technical Reports Server (NTRS)

Opsahl, Torstein; Reif, John

1987-01-01

The implementation of Pan and Reif's Parallel Nested Dissection (PND) algorithm on mesh connected parallel computers is described. This is the first known algorithm that allows very large, sparse linear systems of equations to be solved efficiently in polylog time using a small number of processors. How the processor bound of PND can be matched to the number of processors available on a given parallel computer by slowing down the algorithm by constant factors is described. Also, for the important class of problems where G(A) is a grid graph, a unique memory mapping that reduces the inter-processor communication requirements of PND to those that can be executed on mesh connected parallel machines is detailed. A description of an implementation on the Goodyear Massively Parallel Processor (MPP), located at Goddard is given. Also, a detailed discussion of data mappings and performance issues is given.

Molecular characterization of dissolved organic matter from subtropical wetlands: a comparative study through the analysis of optical properties, NMR and FTICR/MS

NASA Astrophysics Data System (ADS)

Hertkorn, Norbert; Harir, Mourad; Cawley, Kaelin M.; Schmitt-Kopplin, Philippe; Jaffé, Rudolf

2016-04-01

Wetlands provide quintessential ecosystem services such as maintenance of water quality, water supply and biodiversity, among others; however, wetlands are also among the most threatened ecosystems worldwide. Natural dissolved organic matter (DOM) is an abundant and critical component in wetland biogeochemistry. This study describes the first detailed, comparative, molecular characterization of DOM in subtropical, pulsed, wetlands, namely the Everglades (USA), the Pantanal (Brazil) and the Okavango Delta (Botswana), using optical properties, high-field nuclear magnetic resonance (NMR) and ultrahigh-resolution mass spectrometry (FT-ICRMS), and compares compositional features to variations in organic matter sources and flooding characteristics (i.e., differences in hydroperiod). While optical properties showed a high degree of variability within and between the three wetlands, analogies in DOM fluorescence properties were such that an established excitation emission matrix fluorescence parallel factor analysis (EEM-PARAFAC) model for the Everglades was perfectly applicable to the other two wetlands. Area-normalized 1H NMR spectra of selected samples revealed clear distinctions of samples while a pronounced congruence within the three pairs of wetland DOM readily suggested the presence of an individual wetland-specific molecular signature. Within sample pairs (long- vs. short-hydroperiod sites), internal differences mainly referred to intensity variations (denoting variable abundance) rather than to alterations of NMR resonances positioning (denoting diversity of molecules). The relative disparity was largest between the Everglades long- and short-hydroperiod samples, whereas Pantanal and Okavango samples were more alike among themselves. Otherwise, molecular divergence was most obvious in the case of unsaturated protons (δH > 5 ppm). 2-D NMR spectroscopy for a particular sample revealed a large richness of aliphatic and unsaturated substructures, likely derived from microbial sources such as periphyton in the Everglades. In contrast, the chemical diversity of aromatic wetland DOM likely originates from a combination of higher plant sources, progressive microbial and photochemical oxidation, and contributions from combustion-derived products (e.g., black carbon). FT-ICRMS spectra of both Okavango and Pantanal showed near 57 ± 2 % CHO, 8 ± 2 % CHOS, 33 ± 2 % CHNO and < 1 % CHNOS molecules, whereas those of Everglades samples were markedly enriched in CHOS and CHNOS at the expense of CHO and CHNO compounds. In particular, the Everglades short-hydroperiod site showed a large set of aromatic and oxygen-deficient "black sulfur" compounds whereas the long-hydroperiod site contained oxygenated sulfur attached to fused-ring polyphenols. The elevated abundance of CHOS compounds for the Everglades samples likely results from higher inputs of agriculture-derived and sea-spray-derived sulfate. Although wetland DOM samples were found to share many molecular features, each sample was unique in its composition, which reflected specific environmental drivers and/or specific biogeochemical processes.

Data decomposition method for parallel polygon rasterization considering load balancing

NASA Astrophysics Data System (ADS)

Zhou, Chen; Chen, Zhenjie; Liu, Yongxue; Li, Feixue; Cheng, Liang; Zhu, A.-xing; Li, Manchun

2015-12-01

It is essential to adopt parallel computing technology to rapidly rasterize massive polygon data. In parallel rasterization, it is difficult to design an effective data decomposition method. Conventional methods ignore load balancing of polygon complexity in parallel rasterization and thus fail to achieve high parallel efficiency. In this paper, a novel data decomposition method based on polygon complexity (DMPC) is proposed. First, four factors that possibly affect the rasterization efficiency were investigated. Then, a metric represented by the boundary number and raster pixel number in the minimum bounding rectangle was developed to calculate the complexity of each polygon. Using this metric, polygons were rationally allocated according to the polygon complexity, and each process could achieve balanced loads of polygon complexity. To validate the efficiency of DMPC, it was used to parallelize different polygon rasterization algorithms and tested on different datasets. Experimental results showed that DMPC could effectively parallelize polygon rasterization algorithms. Furthermore, the implemented parallel algorithms with DMPC could achieve good speedup ratios of at least 15.69 and generally outperformed conventional decomposition methods in terms of parallel efficiency and load balancing. In addition, the results showed that DMPC exhibited consistently better performance for different spatial distributions of polygons.

An overview of confounding. Part 1: the concept and how to address it.

PubMed

Howards, Penelope P

2018-04-01

Confounding is an important source of bias, but it is often misunderstood. We consider how confounding occurs and how to address confounding using examples. Study results are confounded when the effect of the exposure on the outcome, mixes with the effects of other risk and protective factors for the outcome. This problem arises when these factors are present to different degrees among the exposed and unexposed study participants, but not all differences between the groups result in confounding. Thinking about an ideal study where all of the population of interest is exposed in one universe and is unexposed in a parallel universe helps to distinguish confounders from other differences. In an actual study, an observed unexposed population is chosen to stand in for the unobserved parallel universe. Differences between this substitute population and the parallel universe result in confounding. Confounding by identified factors can be addressed analytically and through study design, but only randomization has the potential to address confounding by unmeasured factors. Nevertheless, a given randomized study may still be confounded. Confounded study results can lead to incorrect conclusions about the effect of the exposure of interest on the outcome. © 2018 Nordic Federation of Societies of Obstetrics and Gynecology.

A Parallel Pipelined Renderer for the Time-Varying Volume Data

NASA Technical Reports Server (NTRS)

Chiueh, Tzi-Cker; Ma, Kwan-Liu

1997-01-01

This paper presents a strategy for efficiently rendering time-varying volume data sets on a distributed-memory parallel computer. Time-varying volume data take large storage space and visualizing them requires reading large files continuously or periodically throughout the course of the visualization process. Instead of using all the processors to collectively render one volume at a time, a pipelined rendering process is formed by partitioning processors into groups to render multiple volumes concurrently. In this way, the overall rendering time may be greatly reduced because the pipelined rendering tasks are overlapped with the I/O required to load each volume into a group of processors; moreover, parallelization overhead may be reduced as a result of partitioning the processors. We modify an existing parallel volume renderer to exploit various levels of rendering parallelism and to study how the partitioning of processors may lead to optimal rendering performance. Two factors which are important to the overall execution time are re-source utilization efficiency and pipeline startup latency. The optimal partitioning configuration is the one that balances these two factors. Tests on Intel Paragon computers show that in general optimal partitionings do exist for a given rendering task and result in 40-50% saving in overall rendering time.

Efficient multitasking of Choleski matrix factorization on CRAY supercomputers

NASA Technical Reports Server (NTRS)

Overman, Andrea L.; Poole, Eugene L.

1991-01-01

A Choleski method is described and used to solve linear systems of equations that arise in large scale structural analysis. The method uses a novel variable-band storage scheme and is structured to exploit fast local memory caches while minimizing data access delays between main memory and vector registers. Several parallel implementations of this method are described for the CRAY-2 and CRAY Y-MP computers demonstrating the use of microtasking and autotasking directives. A portable parallel language, FORCE, is used for comparison with the microtasked and autotasked implementations. Results are presented comparing the matrix factorization times for three representative structural analysis problems from runs made in both dedicated and multi-user modes on both computers. CPU and wall clock timings are given for the parallel implementations and are compared to single processor timings of the same algorithm.

Performance Evaluation in Network-Based Parallel Computing

NASA Technical Reports Server (NTRS)

Dezhgosha, Kamyar

1996-01-01

Network-based parallel computing is emerging as a cost-effective alternative for solving many problems which require use of supercomputers or massively parallel computers. The primary objective of this project has been to conduct experimental research on performance evaluation for clustered parallel computing. First, a testbed was established by augmenting our existing SUNSPARCs' network with PVM (Parallel Virtual Machine) which is a software system for linking clusters of machines. Second, a set of three basic applications were selected. The applications consist of a parallel search, a parallel sort, a parallel matrix multiplication. These application programs were implemented in C programming language under PVM. Third, we conducted performance evaluation under various configurations and problem sizes. Alternative parallel computing models and workload allocations for application programs were explored. The performance metric was limited to elapsed time or response time which in the context of parallel computing can be expressed in terms of speedup. The results reveal that the overhead of communication latency between processes in many cases is the restricting factor to performance. That is, coarse-grain parallelism which requires less frequent communication between processes will result in higher performance in network-based computing. Finally, we are in the final stages of installing an Asynchronous Transfer Mode (ATM) switch and four ATM interfaces (each 155 Mbps) which will allow us to extend our study to newer applications, performance metrics, and configurations.

Accuracy of the Parallel Analysis Procedure with Polychoric Correlations

ERIC Educational Resources Information Center

Cho, Sun-Joo; Li, Feiming; Bandalos, Deborah

2009-01-01

The purpose of this study was to investigate the application of the parallel analysis (PA) method for choosing the number of factors in component analysis for situations in which data are dichotomous or ordinal. Although polychoric correlations are sometimes used as input for component analyses, the random data matrices generated for use in PA…

Exploiting the synergistic effect of concurrent data signals: Low-level fusion of liquid chromatographic with dual detection data.

PubMed

Teglia, Carla M; Azcarate, Silvana M; Alcaráz, Mirta R; Goicoechea, Héctor C; Culzoni, María J

2018-08-15

A low-level data fusion strategy was developed and implemented for data processing of second-order liquid chromatographic data with dual detection, i.e. absorbance and fluorescence monitoring. The synergistic effect of coupling individual information provided by two different detectors was evaluated by analyzing the results gathered after the application of a series of data preprocessing steps and chemometric resolution. The chemometric modeling involved data analysis by MCR-ALS, PARAFAC and N-PLS. Their ability to handle the new data block was assessed through the estimation of the analytical figures of merits achieved in the prediction of a validation set containing fifteen fluorescent and non-fluorescent veterinary active ingredients that can be found in poultry litter. Eventually, the feasibility of the application of the fusion strategy to real poultry litter samples containing the studied compounds was verified. Copyright © 2018 Elsevier B.V. All rights reserved.

Intrinsic fluorescence spectra characteristics of vitamin B1, B2, and B6

NASA Astrophysics Data System (ADS)

Yang, Hui; Xiao, Xue; Zhao, Xuesong; Hu, Lan; Lv, Caofang; Yin, Zhangkun

2015-11-01

This paper presents the intrinsic fluorescence characteristics of vitamin B1, B2 and B6 measured with 3D fluorescence Spectrophotometer. Three strong fluorescence areas of vitamin B2 locate at λex/λem=270/525nm, 370/525nm and 450/525nm, one fluorescence areas of vitamin B1 locates at λex/λem=370/460nm, two fluorescence areas of vitamin B6 locates at λex/λem=250/370nm and 325/370nm were found. The influence of pH of solution to the fluorescence profile was also discussed. Using the PARAFAC algorithm, 10 vitamin B1, B2 and B6 mixed solutions were successfully decomposed, and the emission profiles, excitation profiles, central wavelengths and the concentration of the three components were retrieved precisely through about 5 iteration times.

Performance of GeantV EM Physics Models

NASA Astrophysics Data System (ADS)

Amadio, G.; Ananya, A.; Apostolakis, J.; Aurora, A.; Bandieramonte, M.; Bhattacharyya, A.; Bianchini, C.; Brun, R.; Canal, P.; Carminati, F.; Cosmo, G.; Duhem, L.; Elvira, D.; Folger, G.; Gheata, A.; Gheata, M.; Goulas, I.; Iope, R.; Jun, S. Y.; Lima, G.; Mohanty, A.; Nikitina, T.; Novak, M.; Pokorski, W.; Ribon, A.; Seghal, R.; Shadura, O.; Vallecorsa, S.; Wenzel, S.; Zhang, Y.

2017-10-01

The recent progress in parallel hardware architectures with deeper vector pipelines or many-cores technologies brings opportunities for HEP experiments to take advantage of SIMD and SIMT computing models. Launched in 2013, the GeantV project studies performance gains in propagating multiple particles in parallel, improving instruction throughput and data locality in HEP event simulation on modern parallel hardware architecture. Due to the complexity of geometry description and physics algorithms of a typical HEP application, performance analysis is indispensable in identifying factors limiting parallel execution. In this report, we will present design considerations and preliminary computing performance of GeantV physics models on coprocessors (Intel Xeon Phi and NVidia GPUs) as well as on mainstream CPUs.

Renal magnetic resonance angiography at 3.0 Tesla using a 32-element phased-array coil system and parallel imaging in 2 directions.

PubMed

Fenchel, Michael; Nael, Kambiz; Deshpande, Vibhas S; Finn, J Paul; Kramer, Ulrich; Miller, Stephan; Ruehm, Stefan; Laub, Gerhard

2006-09-01

The aim of the present study was to assess the feasibility of renal magnetic resonance angiography at 3.0 T using a phased-array coil system with 32-coil elements. Specifically, high parallel imaging factors were used for an increased spatial resolution and anatomic coverage of the whole abdomen. Signal-to-noise values and the g-factor distribution of the 32 element coil were examined in phantom studies for the magnetic resonance angiography (MRA) sequence. Eleven volunteers (6 men, median age of 30.0 years) were examined on a 3.0-T MR scanner (Magnetom Trio, Siemens Medical Solutions, Malvern, PA) using a 32-element phased-array coil (prototype from In vivo Corp.). Contrast-enhanced 3D-MRA (TR 2.95 milliseconds, TE 1.12 milliseconds, flip angle 25-30 degrees , bandwidth 650 Hz/pixel) was acquired with integrated generalized autocalibrating partially parallel acquisition (GRAPPA), in both phase- and slice-encoding direction. Images were assessed by 2 independent observers with regard to image quality, noise and presence of artifacts. Signal-to-noise levels of 22.2 +/- 22.0 and 57.9 +/- 49.0 were measured with (GRAPPAx6) and without parallel-imaging, respectively. The mean g-factor of the 32-element coil for GRAPPA with an acceleration of 3 and 2 in the phase-encoding and slice-encoding direction, respectively, was 1.61. High image quality was found in 9 of 11 volunteers (2.6 +/- 0.8) with good overall interobserver agreement (k = 0.87). Relatively low image quality with higher noise levels were encountered in 2 volunteers. MRA at 3.0 T using a 32-element phased-array coil is feasible in healthy volunteers. High diagnostic image quality and extended anatomic coverage could be achieved with application of high parallel imaging factors.

A comparative study of serial and parallel aeroelastic computations of wings

NASA Technical Reports Server (NTRS)

Byun, Chansup; Guruswamy, Guru P.

1994-01-01

A procedure for computing the aeroelasticity of wings on parallel multiple-instruction, multiple-data (MIMD) computers is presented. In this procedure, fluids are modeled using Euler equations, and structures are modeled using modal or finite element equations. The procedure is designed in such a way that each discipline can be developed and maintained independently by using a domain decomposition approach. In the present parallel procedure, each computational domain is scalable. A parallel integration scheme is used to compute aeroelastic responses by solving fluid and structural equations concurrently. The computational efficiency issues of parallel integration of both fluid and structural equations are investigated in detail. This approach, which reduces the total computational time by a factor of almost 2, is demonstrated for a typical aeroelastic wing by using various numbers of processors on the Intel iPSC/860.

INVITED TOPICAL REVIEW: Parallel magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Larkman, David J.; Nunes, Rita G.

2007-04-01

Parallel imaging has been the single biggest innovation in magnetic resonance imaging in the last decade. The use of multiple receiver coils to augment the time consuming Fourier encoding has reduced acquisition times significantly. This increase in speed comes at a time when other approaches to acquisition time reduction were reaching engineering and human limits. A brief summary of spatial encoding in MRI is followed by an introduction to the problem parallel imaging is designed to solve. There are a large number of parallel reconstruction algorithms; this article reviews a cross-section, SENSE, SMASH, g-SMASH and GRAPPA, selected to demonstrate the different approaches. Theoretical (the g-factor) and practical (coil design) limits to acquisition speed are reviewed. The practical implementation of parallel imaging is also discussed, in particular coil calibration. How to recognize potential failure modes and their associated artefacts are shown. Well-established applications including angiography, cardiac imaging and applications using echo planar imaging are reviewed and we discuss what makes a good application for parallel imaging. Finally, active research areas where parallel imaging is being used to improve data quality by repairing artefacted images are also reviewed.

Reconstruction for time-domain in vivo EPR 3D multigradient oximetric imaging--a parallel processing perspective.

PubMed

Dharmaraj, Christopher D; Thadikonda, Kishan; Fletcher, Anthony R; Doan, Phuc N; Devasahayam, Nallathamby; Matsumoto, Shingo; Johnson, Calvin A; Cook, John A; Mitchell, James B; Subramanian, Sankaran; Krishna, Murali C

2009-01-01

Three-dimensional Oximetric Electron Paramagnetic Resonance Imaging using the Single Point Imaging modality generates unpaired spin density and oxygen images that can readily distinguish between normal and tumor tissues in small animals. It is also possible with fast imaging to track the changes in tissue oxygenation in response to the oxygen content in the breathing air. However, this involves dealing with gigabytes of data for each 3D oximetric imaging experiment involving digital band pass filtering and background noise subtraction, followed by 3D Fourier reconstruction. This process is rather slow in a conventional uniprocessor system. This paper presents a parallelization framework using OpenMP runtime support and parallel MATLAB to execute such computationally intensive programs. The Intel compiler is used to develop a parallel C++ code based on OpenMP. The code is executed on four Dual-Core AMD Opteron shared memory processors, to reduce the computational burden of the filtration task significantly. The results show that the parallel code for filtration has achieved a speed up factor of 46.66 as against the equivalent serial MATLAB code. In addition, a parallel MATLAB code has been developed to perform 3D Fourier reconstruction. Speedup factors of 4.57 and 4.25 have been achieved during the reconstruction process and oximetry computation, for a data set with 23 x 23 x 23 gradient steps. The execution time has been computed for both the serial and parallel implementations using different dimensions of the data and presented for comparison. The reported system has been designed to be easily accessible even from low-cost personal computers through local internet (NIHnet). The experimental results demonstrate that the parallel computing provides a source of high computational power to obtain biophysical parameters from 3D EPR oximetric imaging, almost in real-time.

Efficient Parallelization of a Dynamic Unstructured Application on the Tera MTA

NASA Technical Reports Server (NTRS)

Oliker, Leonid; Biswas, Rupak

1999-01-01

The success of parallel computing in solving real-life computationally-intensive problems relies on their efficient mapping and execution on large-scale multiprocessor architectures. Many important applications are both unstructured and dynamic in nature, making their efficient parallel implementation a daunting task. This paper presents the parallelization of a dynamic unstructured mesh adaptation algorithm using three popular programming paradigms on three leading supercomputers. We examine an MPI message-passing implementation on the Cray T3E and the SGI Origin2OOO, a shared-memory implementation using cache coherent nonuniform memory access (CC-NUMA) of the Origin2OOO, and a multi-threaded version on the newly-released Tera Multi-threaded Architecture (MTA). We compare several critical factors of this parallel code development, including runtime, scalability, programmability, and memory overhead. Our overall results demonstrate that multi-threaded systems offer tremendous potential for quickly and efficiently solving some of the most challenging real-life problems on parallel computers.

Comparison of Educators' and Industrial Managers' Work Motivation Using Parallel Forms of the Work Components Study Questionnaire.

ERIC Educational Resources Information Center

Thornton, Billy W.; And Others

The idea that educators would differ from business managers on Herzberg's motivation factors and Blum's security orientations was posited. Parallel questionnaires were used to measure the motivational variables. The sample was composed of 432 teachers, 118 administrators, and 192 industrial managers. Data were analyzed using multivariate and…

Parallel Processing of the Target Language during Source Language Comprehension in Interpreting

ERIC Educational Resources Information Center

Dong, Yanping; Lin, Jiexuan

2013-01-01

Two experiments were conducted to test the hypothesis that the parallel processing of the target language (TL) during source language (SL) comprehension in interpreting may be influenced by two factors: (i) link strength from SL to TL, and (ii) the interpreter's cognitive resources supplement to TL processing during SL comprehension. The…

Krylov subspace methods on supercomputers

NASA Technical Reports Server (NTRS)

Saad, Youcef

1988-01-01

A short survey of recent research on Krylov subspace methods with emphasis on implementation on vector and parallel computers is presented. Conjugate gradient methods have proven very useful on traditional scalar computers, and their popularity is likely to increase as three-dimensional models gain importance. A conservative approach to derive effective iterative techniques for supercomputers has been to find efficient parallel/vector implementations of the standard algorithms. The main source of difficulty in the incomplete factorization preconditionings is in the solution of the triangular systems at each step. A few approaches consisting of implementing efficient forward and backward triangular solutions are described in detail. Polynomial preconditioning as an alternative to standard incomplete factorization techniques is also discussed. Another efficient approach is to reorder the equations so as to improve the structure of the matrix to achieve better parallelism or vectorization. An overview of these and other ideas and their effectiveness or potential for different types of architectures is given.

Are Attitudes Toward Writing and Reading Separable Constructs? A Study With Primary Grade Children

PubMed Central

Graham, Steve; Berninger, Virginia; Abbott, Robert

2012-01-01

This study examined whether or not attitude towards writing is a unique and separable construct from attitude towards reading for young, beginning writers. Participants were 128 first-grade children (70 girls and 58 boys) and 113 third-grade students (57 girls and 56 boys). Each child was individually administered a 24 item attitude measure, which contained 12 items assessing attitude towards writing and 12 parallel items for reading. Students also wrote a narrative about a personal event in their life. A factor analysis of the 24 item attitude measure provided evidence that generally support the contention that writing and reading attitudes are separable constructs for young beginning writers, as it yielded three factors: a writing attitude factor with 9 items, a reading attitude factor with 9 parallel items, and an attitude about literacy interactions with others factor containing 4 items (2 items in writing and 2 parallel items in reading). Further validation that attitude towards writing is a separable construct from attitude towards reading was obtained at the third-grade level, where writing attitude made a unique and significant contribution, beyond the other two attitude measures, to the prediction of three measures of writing: quality, length, and longest correct word sequence. At the first-grade level, none of the 3 attitude measures predicted students’ writing performance. Finally, girls had more positive attitudes concerning reading and writing than boys. PMID:22736933

Fast parallel algorithm for slicing STL based on pipeline

NASA Astrophysics Data System (ADS)

Ma, Xulong; Lin, Feng; Yao, Bo

2016-05-01

In Additive Manufacturing field, the current researches of data processing mainly focus on a slicing process of large STL files or complicated CAD models. To improve the efficiency and reduce the slicing time, a parallel algorithm has great advantages. However, traditional algorithms can't make full use of multi-core CPU hardware resources. In the paper, a fast parallel algorithm is presented to speed up data processing. A pipeline mode is adopted to design the parallel algorithm. And the complexity of the pipeline algorithm is analyzed theoretically. To evaluate the performance of the new algorithm, effects of threads number and layers number are investigated by a serial of experiments. The experimental results show that the threads number and layers number are two remarkable factors to the speedup ratio. The tendency of speedup versus threads number reveals a positive relationship which greatly agrees with the Amdahl's law, and the tendency of speedup versus layers number also keeps a positive relationship agreeing with Gustafson's law. The new algorithm uses topological information to compute contours with a parallel method of speedup. Another parallel algorithm based on data parallel is used in experiments to show that pipeline parallel mode is more efficient. A case study at last shows a suspending performance of the new parallel algorithm. Compared with the serial slicing algorithm, the new pipeline parallel algorithm can make full use of the multi-core CPU hardware, accelerate the slicing process, and compared with the data parallel slicing algorithm, the new slicing algorithm in this paper adopts a pipeline parallel model, and a much higher speedup ratio and efficiency is achieved.

Calibrationless parallel magnetic resonance imaging: a joint sparsity model.

PubMed

Majumdar, Angshul; Chaudhury, Kunal Narayan; Ward, Rabab

2013-12-05

State-of-the-art parallel MRI techniques either explicitly or implicitly require certain parameters to be estimated, e.g., the sensitivity map for SENSE, SMASH and interpolation weights for GRAPPA, SPIRiT. Thus all these techniques are sensitive to the calibration (parameter estimation) stage. In this work, we have proposed a parallel MRI technique that does not require any calibration but yields reconstruction results that are at par with (or even better than) state-of-the-art methods in parallel MRI. Our proposed method required solving non-convex analysis and synthesis prior joint-sparsity problems. This work also derives the algorithms for solving them. Experimental validation was carried out on two datasets-eight channel brain and eight channel Shepp-Logan phantom. Two sampling methods were used-Variable Density Random sampling and non-Cartesian Radial sampling. For the brain data, acceleration factor of 4 was used and for the other an acceleration factor of 6 was used. The reconstruction results were quantitatively evaluated based on the Normalised Mean Squared Error between the reconstructed image and the originals. The qualitative evaluation was based on the actual reconstructed images. We compared our work with four state-of-the-art parallel imaging techniques; two calibrated methods-CS SENSE and l1SPIRiT and two calibration free techniques-Distributed CS and SAKE. Our method yields better reconstruction results than all of them.

Pigeons acquire multiple categories in parallel via associative learning: A parallel to human word learning?

PubMed Central

Wasserman, Edward A.; Brooks, Daniel I.; McMurray, Bob

2014-01-01

Might there be parallels between category learning in animals and word learning in children? To examine this possibility, we devised a new associative learning technique for teaching pigeons to sort 128 photographs of objects into 16 human language categories. We found that pigeons learned all 16 categories in parallel, they perceived the perceptual coherence of the different object categories, and they generalized their categorization behavior to novel photographs from the training categories. More detailed analyses of the factors that predict trial-by-trial learning implicated a number of factors that may shape learning. First, we found considerable trial-by-trial dependency of pigeons’ categorization responses, consistent with several recent studies that invoke this dependency to claim that humans acquire words via symbolic or inferential mechanisms; this finding suggests that such dependencies may also arise in associative systems. Second, our trial-by-trial analyses divulged seemingly irrelevant aspects of the categorization task, like the spatial location of the report responses, which influenced learning. Third, those trial-by-trial analyses also supported the possibility that learning may be determined both by strengthening correct stimulus-response associations and by weakening incorrect stimulus-response associations. The parallel between all these findings and important aspects of human word learning suggests that associative learning mechanisms may play a much stronger part in complex human behavior than is commonly believed. PMID:25497520

Solution-processed parallel tandem polymer solar cells using silver nanowires as intermediate electrode.

PubMed

Guo, Fei; Kubis, Peter; Li, Ning; Przybilla, Thomas; Matt, Gebhard; Stubhan, Tobias; Ameri, Tayebeh; Butz, Benjamin; Spiecker, Erdmann; Forberich, Karen; Brabec, Christoph J

2014-12-23

Tandem architecture is the most relevant concept to overcome the efficiency limit of single-junction photovoltaic solar cells. Series-connected tandem polymer solar cells (PSCs) have advanced rapidly during the past decade. In contrast, the development of parallel-connected tandem cells is lagging far behind due to the big challenge in establishing an efficient interlayer with high transparency and high in-plane conductivity. Here, we report all-solution fabrication of parallel tandem PSCs using silver nanowires as intermediate charge collecting electrode. Through a rational interface design, a robust interlayer is established, enabling the efficient extraction and transport of electrons from subcells. The resulting parallel tandem cells exhibit high fill factors of ∼60% and enhanced current densities which are identical to the sum of the current densities of the subcells. These results suggest that solution-processed parallel tandem configuration provides an alternative avenue toward high performance photovoltaic devices.

Pilot Non-Conformance to Alerting System Commands During Closely Spaced Parallel Approaches

NASA Technical Reports Server (NTRS)

Pritchett, Amy R.; Hansman, R. John

1997-01-01

Pilot non-conformance to alerting system commands has been noted in general and to a TCAS-like collision avoidance system in a previous experiment. This paper details two experiments studying collision avoidance during closely-spaced parallel approaches in instrument meteorological conditions (IMC), and specifically examining possible causal factors of, and design solutions to, pilot non-conformance.

Exploring the Sensitivity of Horn's Parallel Analysis to the Distributional Form of Random Data

ERIC Educational Resources Information Center

Dinno, Alexis

2009-01-01

Horn's parallel analysis (PA) is the method of consensus in the literature on empirical methods for deciding how many components/factors to retain. Different authors have proposed various implementations of PA. Horn's seminal 1965 article, a 1996 article by Thompson and Daniel, and a 2004 article by Hayton, Allen, and Scarpello all make assertions…

Parallels in the Process of Achieving Personal Growth by Abusing Parents Through Participation in Group Therapy Programs or in Religious Groups

ERIC Educational Resources Information Center

Herrenkohl, Ellen C.

1978-01-01

Group therapy participation and religious conversion have been cited as sources of personal growth by a number of formerly abusive parents. The parallels in the dynamics of change for the two kinds of experiences are discussed in the context of the factors thought to lead to abuse. (Author)

Parallel Distributed Processing and Lexical-Semantic Effects in Visual Word Recognition: Are a Few Stages Necessary?

ERIC Educational Resources Information Center

Borowsky, Ron; Besner, Derek

2006-01-01

D. C. Plaut and J. R. Booth presented a parallel distributed processing model that purports to simulate human lexical decision performance. This model (and D. C. Plaut, 1995) offers a single mechanism account of the pattern of factor effects on reaction time (RT) between semantic priming, word frequency, and stimulus quality without requiring a…

Nuclear respiratory factor 2 regulates the expression of the same NMDA receptor subunit genes as NRF-1: both factors act by a concurrent and parallel mechanism to couple energy metabolism and synaptic transmission.

PubMed

Priya, Anusha; Johar, Kaid; Wong-Riley, Margaret T T

2013-01-01

Neuronal activity and energy metabolism are tightly coupled processes. Previously, we found that nuclear respiratory factor 1 (NRF-1) transcriptionally co-regulates energy metabolism and neuronal activity by regulating all 13 subunits of the critical energy generating enzyme, cytochrome c oxidase (COX), as well as N-methyl-d-aspartate (NMDA) receptor subunits 1 and 2B, GluN1 (Grin1) and GluN2B (Grin2b). We also found that another transcription factor, nuclear respiratory factor 2 (NRF-2 or GA-binding protein) regulates all subunits of COX as well. The goal of the present study was to test our hypothesis that NRF-2 also regulates specific subunits of NMDA receptors, and that it functions with NRF-1 via one of three mechanisms: complementary, concurrent and parallel, or a combination of complementary and concurrent/parallel. By means of multiple approaches, including in silico analysis, electrophoretic mobility shift and supershift assays, in vivo chromatin immunoprecipitation of mouse neuroblastoma cells and rat visual cortical tissue, promoter mutations, real-time quantitative PCR, and western blot analysis, NRF-2 was found to functionally regulate Grin1 and Grin2b genes, but not any other NMDA subunit genes. Grin1 and Grin2b transcripts were up-regulated by depolarizing KCl, but silencing of NRF-2 prevented this up-regulation. On the other hand, over-expression of NRF-2 rescued the down-regulation of these subunits by the impulse blocker TTX. NRF-2 binding sites on Grin1 and Grin2b are conserved among species. Our data indicate that NRF-2 and NRF-1 operate in a concurrent and parallel manner in mediating the tight coupling between energy metabolism and neuronal activity at the molecular level. Copyright © 2012 Elsevier B.V. All rights reserved.

Factor Retention in Exploratory Factor Analysis: A Comparison of Alternative Methods.

ERIC Educational Resources Information Center

Mumford, Karen R.; Ferron, John M.; Hines, Constance V.; Hogarty, Kristine Y.; Kromrey, Jeffery D.

This study compared the effectiveness of 10 methods of determining the number of factors to retain in exploratory common factor analysis. The 10 methods included the Kaiser rule and a modified Kaiser criterion, 3 variations of parallel analysis, 4 regression-based variations of the scree procedure, and the minimum average partial procedure. The…

Parallel MR imaging: a user's guide.

PubMed

Glockner, James F; Hu, Houchun H; Stanley, David W; Angelos, Lisa; King, Kevin

2005-01-01

Parallel imaging is a recently developed family of techniques that take advantage of the spatial information inherent in phased-array radiofrequency coils to reduce acquisition times in magnetic resonance imaging. In parallel imaging, the number of sampled k-space lines is reduced, often by a factor of two or greater, thereby significantly shortening the acquisition time. Parallel imaging techniques have only recently become commercially available, and the wide range of clinical applications is just beginning to be explored. The potential clinical applications primarily involve reduction in acquisition time, improved spatial resolution, or a combination of the two. Improvements in image quality can be achieved by reducing the echo train lengths of fast spin-echo and single-shot fast spin-echo sequences. Parallel imaging is particularly attractive for cardiac and vascular applications and will likely prove valuable as 3-T body and cardiovascular imaging becomes part of standard clinical practice. Limitations of parallel imaging include reduced signal-to-noise ratio and reconstruction artifacts. It is important to consider these limitations when deciding when to use these techniques. (c) RSNA, 2005.

A symmetrical subtraction combined with interpolated values for eliminating scattering from fluorescence EEM data

NASA Astrophysics Data System (ADS)

Xu, Jing; Liu, Xiaofei; Wang, Yutian

2016-08-01

Parallel factor analysis is a widely used method to extract qualitative and quantitative information of the analyte of interest from fluorescence emission-excitation matrix containing unknown components. Big amplitude of scattering will influence the results of parallel factor analysis. Many methods of eliminating scattering have been proposed. Each of these methods has its advantages and disadvantages. The combination of symmetrical subtraction and interpolated values has been discussed. The combination refers to both the combination of results and the combination of methods. Nine methods were used for comparison. The results show the combination of results can make a better concentration prediction for all the components.

Design and Calibration of a X-Ray Millibeam

DTIC Science & Technology

2005-12-01

developed for use in Fricke dosimetry , parallel-plate ionization chambers, Lithium Fluoride thermoluminescent dosimetry ( TLD ), and EBT GafChromic...thermoluminescent dosimetry ( TLD ), and EBT GafChromic film to characterize the spatial distribution and accuracy of the doses produced by the Faxitron. A...absorbed dose calibration factors for use in Fricke dosimetry , parallel-plate ionization chambers, Lithium Fluoride (LiF) TLD , and EBT GafChromic film. The

[Analysis of risk factors for dry eye syndrome in visual display terminal workers].

PubMed

Zhu, Yong; Yu, Wen-lan; Xu, Ming; Han, Lei; Cao, Wen-dong; Zhang, Hong-bing; Zhang, Heng-dong

2013-08-01

To analyze the risk factors for dry eye syndrome in visual display terminal (VDT) workers and to provide a scientific basis for protecting the eye health of VDT workers. Questionnaire survey, Schirmer I test, tear break-up time test, and workshop microenvironment evaluation were performed in 185 VDT workers. Multivariate logistic regression analysis was performed to determine the risk factors for dry eye syndrome in VDT workers after adjustment for confounding factors. In the logistic regression model, the regression coefficients of daily mean time of exposure to screen, daily mean time of watching TV, parallel screen-eye angle, upward screen-eye angle, eye-screen distance of less than 20 cm, irregular breaks during screen-exposed work, age, and female gender on the results of Schirmer I test were 0.153, 0.548, 0.400, 0.796, 0.234, 0.516, 0.559, and -0.685, respectively; the regression coefficients of daily mean time of exposure to screen, parallel screen-eye angle, upward screen-eye angle, age, working years, and female gender on tear break-up time were 0.021, 0.625, 2.652, 0.749, 0.403, and 1.481, respectively. Daily mean time of exposure to screen, daily mean time of watching TV, parallel screen-eye angle, upward screen-eye angle, eye-screen distance of less than 20 cm, irregular breaks during screen-exposed work, age, and working years are risk factors for dry eye syndrome in VDT workers.

A fully parallel in time and space algorithm for simulating the electrical activity of a neural tissue.

PubMed

Bedez, Mathieu; Belhachmi, Zakaria; Haeberlé, Olivier; Greget, Renaud; Moussaoui, Saliha; Bouteiller, Jean-Marie; Bischoff, Serge

2016-01-15

The resolution of a model describing the electrical activity of neural tissue and its propagation within this tissue is highly consuming in term of computing time and requires strong computing power to achieve good results. In this study, we present a method to solve a model describing the electrical propagation in neuronal tissue, using parareal algorithm, coupling with parallelization space using CUDA in graphical processing unit (GPU). We applied the method of resolution to different dimensions of the geometry of our model (1-D, 2-D and 3-D). The GPU results are compared with simulations from a multi-core processor cluster, using message-passing interface (MPI), where the spatial scale was parallelized in order to reach a comparable calculation time than that of the presented method using GPU. A gain of a factor 100 in term of computational time between sequential results and those obtained using the GPU has been obtained, in the case of 3-D geometry. Given the structure of the GPU, this factor increases according to the fineness of the geometry used in the computation. To the best of our knowledge, it is the first time such a method is used, even in the case of neuroscience. Parallelization time coupled with GPU parallelization space allows for drastically reducing computational time with a fine resolution of the model describing the propagation of the electrical signal in a neuronal tissue. Copyright © 2015 Elsevier B.V. All rights reserved.

Parallelized reliability estimation of reconfigurable computer networks

NASA Technical Reports Server (NTRS)

Nicol, David M.; Das, Subhendu; Palumbo, Dan

1990-01-01

A parallelized system, ASSURE, for computing the reliability of embedded avionics flight control systems which are able to reconfigure themselves in the event of failure is described. ASSURE accepts a grammar that describes a reliability semi-Markov state-space. From this it creates a parallel program that simultaneously generates and analyzes the state-space, placing upper and lower bounds on the probability of system failure. ASSURE is implemented on a 32-node Intel iPSC/860, and has achieved high processor efficiencies on real problems. Through a combination of improved algorithms, exploitation of parallelism, and use of an advanced microprocessor architecture, ASSURE has reduced the execution time on substantial problems by a factor of one thousand over previous workstation implementations. Furthermore, ASSURE's parallel execution rate on the iPSC/860 is an order of magnitude faster than its serial execution rate on a Cray-2 supercomputer. While dynamic load balancing is necessary for ASSURE's good performance, it is needed only infrequently; the particular method of load balancing used does not substantially affect performance.

SPSS and SAS programs for determining the number of components using parallel analysis and velicer's MAP test.

PubMed

O'Connor, B P

2000-08-01

Popular statistical software packages do not have the proper procedures for determining the number of components in factor and principal components analyses. Parallel analysis and Velicer's minimum average partial (MAP) test are validated procedures, recommended widely by statisticians. However, many researchers continue to use alternative, simpler, but flawed procedures, such as the eigenvalues-greater-than-one rule. Use of the proper procedures might be increased if these procedures could be conducted within familiar software environments. This paper describes brief and efficient programs for using SPSS and SAS to conduct parallel analyses and the MAP test.

Predicting Protein Structure Using Parallel Genetic Algorithms.

DTIC Science & Technology

1994-12-01

Molecular dynamics attempts to simulate the protein folding process. However, the time steps required for this simulation are on the order of one...harmonics. These two factors have limited molecular dynamics simulations to less than a few nanoseconds (10-9 sec), even on today’s fastest supercomputers...By " Predicting rotein Structure D istribticfiar.. ................ Using Parallel Genetic Algorithms ,Avaiu " ’ •"... Dist THESIS I IGeorge H

Parallel Newton-Krylov-Schwarz algorithms for the transonic full potential equation

NASA Technical Reports Server (NTRS)

Cai, Xiao-Chuan; Gropp, William D.; Keyes, David E.; Melvin, Robin G.; Young, David P.

1996-01-01

We study parallel two-level overlapping Schwarz algorithms for solving nonlinear finite element problems, in particular, for the full potential equation of aerodynamics discretized in two dimensions with bilinear elements. The overall algorithm, Newton-Krylov-Schwarz (NKS), employs an inexact finite-difference Newton method and a Krylov space iterative method, with a two-level overlapping Schwarz method as a preconditioner. We demonstrate that NKS, combined with a density upwinding continuation strategy for problems with weak shocks, is robust and, economical for this class of mixed elliptic-hyperbolic nonlinear partial differential equations, with proper specification of several parameters. We study upwinding parameters, inner convergence tolerance, coarse grid density, subdomain overlap, and the level of fill-in in the incomplete factorization, and report their effect on numerical convergence rate, overall execution time, and parallel efficiency on a distributed-memory parallel computer.

Convergence issues in domain decomposition parallel computation of hovering rotor

NASA Astrophysics Data System (ADS)

Xiao, Zhongyun; Liu, Gang; Mou, Bin; Jiang, Xiong

2018-05-01

Implicit LU-SGS time integration algorithm has been widely used in parallel computation in spite of its lack of information from adjacent domains. When applied to parallel computation of hovering rotor flows in a rotating frame, it brings about convergence issues. To remedy the problem, three LU factorization-based implicit schemes (consisting of LU-SGS, DP-LUR and HLU-SGS) are investigated comparatively. A test case of pure grid rotation is designed to verify these algorithms, which show that LU-SGS algorithm introduces errors on boundary cells. When partition boundaries are circumferential, errors arise in proportion to grid speed, accumulating along with the rotation, and leading to computational failure in the end. Meanwhile, DP-LUR and HLU-SGS methods show good convergence owing to boundary treatment which are desirable in domain decomposition parallel computations.

Banana regime pressure anisotropy in a bumpy cylinder magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garcia-Perciante, A.L.; Callen, J.D.; Shaing, K.C.

The pressure anisotropy is calculated for a plasma in a bumpy cylindrical magnetic field in the low collisionality (banana) regime for small magnetic-field modulations ({epsilon}{identical_to}{delta}B/2B<<1). Solutions are obtained by integrating the drift-kinetic equation along field lines in steady state. A closure for the local value of the parallel viscous force B{center_dot}{nabla}{center_dot}{pi}{sub parallel} is then calculated and is shown to exceed the flux-surface-averaged parallel viscous force by a factor of O(1/{epsilon}). A high-frequency limit ({omega}>>{nu}) for the pressure anisotropy is also determined and the calculation is then extended to include the full frequency dependence by using an expansion inmore » Cordey eigenfunctions.« less

Partial Overhaul and Initial Parallel Optimization of KINETICS, a Coupled Dynamics and Chemistry Atmosphere Model

NASA Technical Reports Server (NTRS)

Nguyen, Howard; Willacy, Karen; Allen, Mark

2012-01-01

KINETICS is a coupled dynamics and chemistry atmosphere model that is data intensive and computationally demanding. The potential performance gain from using a supercomputer motivates the adaptation from a serial version to a parallelized one. Although the initial parallelization had been done, bottlenecks caused by an abundance of communication calls between processors led to an unfavorable drop in performance. Before starting on the parallel optimization process, a partial overhaul was required because a large emphasis was placed on streamlining the code for user convenience and revising the program to accommodate the new supercomputers at Caltech and JPL. After the first round of optimizations, the partial runtime was reduced by a factor of 23; however, performance gains are dependent on the size of the data, the number of processors requested, and the computer used.

Factors related to the parallel use of complementary and alternative medicine with conventional medicine among patients with chronic conditions in South Korea.

PubMed

Choi, Byunghee; Han, Dongwoon; Na, Seonsam; Lim, Byungmook

2017-06-01

This study aims to examine the characteristics and behavioral patterns of patients with chronic conditions behind their parallel use of the conventional medicine (CM) and the complementary and alternative medicine (CAM) that includes traditional Korean Medicine (KM). This cross-sectional study used the self-administered anonymous survey method to obtain the results from inpatients who were staying in three hospitals in Gyeongnam province in Korea. Of the 423 participants surveyed, 334 participants (79.0%) used some form of CAM among which KM therapies were the most common modalities. The results of a logistic regression analysis showed that the parallel use pattern was most apparent in the groups aged over 40. Patients with hypertension or joint diseases were seen to have higher propensity to show the parallel use patterns, whereas patients with diabetes were not. In addition, many sociodemographic and health-related characteristics are related to the patterns of the parallel use of CAM and CM. In the rural area of Korea, most inpatients who used CM for the management of chronic conditions used CAM in parallel. KM was the most common in CAM modalities, and the aspect of parallel use varied according to the disease conditions.

Decoupling Principle Analysis and Development of a Parallel Three-Dimensional Force Sensor

PubMed Central

Zhao, Yanzhi; Jiao, Leihao; Weng, Dacheng; Zhang, Dan; Zheng, Rencheng

2016-01-01

In the development of the multi-dimensional force sensor, dimension coupling is the ubiquitous factor restricting the improvement of the measurement accuracy. To effectively reduce the influence of dimension coupling on the parallel multi-dimensional force sensor, a novel parallel three-dimensional force sensor is proposed using a mechanical decoupling principle, and the influence of the friction on dimension coupling is effectively reduced by making the friction rolling instead of sliding friction. In this paper, the mathematical model is established by combining with the structure model of the parallel three-dimensional force sensor, and the modeling and analysis of mechanical decoupling are carried out. The coupling degree (ε) of the designed sensor is defined and calculated, and the calculation results show that the mechanical decoupling parallel structure of the sensor possesses good decoupling performance. A prototype of the parallel three-dimensional force sensor was developed, and FEM analysis was carried out. The load calibration and data acquisition experiment system are built, and then calibration experiments were done. According to the calibration experiments, the measurement accuracy is less than 2.86% and the coupling accuracy is less than 3.02%. The experimental results show that the sensor system possesses high measuring accuracy, which provides a basis for the applied research of the parallel multi-dimensional force sensor. PMID:27649194

The GNAT: A new tool for processing NMR data.

PubMed

Castañar, Laura; Poggetto, Guilherme Dal; Colbourne, Adam A; Morris, Gareth A; Nilsson, Mathias

2018-06-01

The GNAT (General NMR Analysis Toolbox) is a free and open-source software package for processing, visualising, and analysing NMR data. It supersedes the popular DOSY Toolbox, which has a narrower focus on diffusion NMR. Data import of most common formats from the major NMR platforms is supported, as well as a GNAT generic format. Key basic processing of NMR data (e.g., Fourier transformation, baseline correction, and phasing) is catered for within the program, as well as more advanced techniques (e.g., reference deconvolution and pure shift FID reconstruction). Analysis tools include DOSY and SCORE for diffusion data, ROSY T 1 /T 2 estimation for relaxation data, and PARAFAC for multilinear analysis. The GNAT is written for the MATLAB® language and comes with a user-friendly graphical user interface. The standard version is intended to run with a MATLAB installation, but completely free-standing compiled versions for Windows, Mac, and Linux are also freely available. © 2018 The Authors Magnetic Resonance in Chemistry Published by John Wiley & Sons Ltd.

A symmetrical subtraction combined with interpolated values for eliminating scattering from fluorescence EEM data.

PubMed

Xu, Jing; Liu, Xiaofei; Wang, Yutian

2016-08-05

Parallel factor analysis is a widely used method to extract qualitative and quantitative information of the analyte of interest from fluorescence emission-excitation matrix containing unknown components. Big amplitude of scattering will influence the results of parallel factor analysis. Many methods of eliminating scattering have been proposed. Each of these methods has its advantages and disadvantages. The combination of symmetrical subtraction and interpolated values has been discussed. The combination refers to both the combination of results and the combination of methods. Nine methods were used for comparison. The results show the combination of results can make a better concentration prediction for all the components. Copyright © 2016 Elsevier B.V. All rights reserved.

Albedo of an irradiated plane-parallel atmosphere with finite optical depth

NASA Astrophysics Data System (ADS)

Fukue, Jun

2018-03-01

We analytically derive albedo for a plane-parallel atmosphere with finite optical depth, irradiated by an external source, under the local thermodynamic equilibrium approximation. Albedo is expressed as a function of the photon destruction probability ɛ and optical depth τ, with several parameters such as dilution factors of the external source. In the particular case of the infinite optical depth, albedo A is expressed as A=[1 + (1-W_J/W_H)√{3ɛ}/3]/(1+√{3ɛ}), where WJ and WH are the dilution factors for the mean intensity and Eddington flux, respectively. An example of a model atmosphere is also presented under a gray approximation.

Optimizing transformations of stencil operations for parallel cache-based architectures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bassetti, F.; Davis, K.

This paper describes a new technique for optimizing serial and parallel stencil- and stencil-like operations for cache-based architectures. This technique takes advantage of the semantic knowledge implicity in stencil-like computations. The technique is implemented as a source-to-source program transformation; because of its specificity it could not be expected of a conventional compiler. Empirical results demonstrate a uniform factor of two speedup. The experiments clearly show the benefits of this technique to be a consequence, as intended, of the reduction in cache misses. The test codes are based on a 5-point stencil obtained by the discretization of the Poisson equation andmore » applied to a two-dimensional uniform grid using the Jacobi method as an iterative solver. Results are presented for a 1-D tiling for a single processor, and in parallel using 1-D data partition. For the parallel case both blocking and non-blocking communication are tested. The same scheme of experiments has bee n performed for the 2-D tiling case. However, for the parallel case the 2-D partitioning is not discussed here, so the parallel case handled for 2-D is 2-D tiling with 1-D data partitioning.« less

Streaming parallel GPU acceleration of large-scale filter-based spiking neural networks.

PubMed

Slażyński, Leszek; Bohte, Sander

2012-01-01

The arrival of graphics processing (GPU) cards suitable for massively parallel computing promises affordable large-scale neural network simulation previously only available at supercomputing facilities. While the raw numbers suggest that GPUs may outperform CPUs by at least an order of magnitude, the challenge is to develop fine-grained parallel algorithms to fully exploit the particulars of GPUs. Computation in a neural network is inherently parallel and thus a natural match for GPU architectures: given inputs, the internal state for each neuron can be updated in parallel. We show that for filter-based spiking neurons, like the Spike Response Model, the additive nature of membrane potential dynamics enables additional update parallelism. This also reduces the accumulation of numerical errors when using single precision computation, the native precision of GPUs. We further show that optimizing simulation algorithms and data structures to the GPU's architecture has a large pay-off: for example, matching iterative neural updating to the memory architecture of the GPU speeds up this simulation step by a factor of three to five. With such optimizations, we can simulate in better-than-realtime plausible spiking neural networks of up to 50 000 neurons, processing over 35 million spiking events per second.

An overview of confounding. Part 2: how to identify it and special situations.

PubMed

Howards, Penelope P

2018-04-01

Confounding biases study results when the effect of the exposure on the outcome mixes with the effects of other risk and protective factors for the outcome that are present differentially by exposure status. However, not all differences between the exposed and unexposed group cause confounding. Thus, sources of confounding must be identified before they can be addressed. Confounding is absent in an ideal study where all of the population of interest is exposed in one universe and is unexposed in a parallel universe. In an actual study, an observed unexposed population represents the unobserved parallel universe. Thinking about differences between this substitute population and the unexposed parallel universe helps identify sources of confounding. These differences can then be represented in a diagram that shows how risk and protective factors for the outcome are related to the exposure. Sources of confounding identified in the diagram should be addressed analytically and through study design. However, treating all factors that differ by exposure status as confounders without considering the structure of their relation to the exposure can introduce bias. For example, conditions affected by the exposure are not confounders. There are also special types of confounding, such as time-varying confounding and unfixable confounding. It is important to evaluate carefully whether factors of interest contribute to confounding because bias can be introduced both by ignoring potential confounders and by adjusting for factors that are not confounders. The resulting bias can result in misleading conclusions about the effect of the exposure of interest on the outcome. © 2018 Nordic Federation of Societies of Obstetrics and Gynecology.

The Importance of Considering Differences in Study Design in Network Meta-analysis: An Application Using Anti-Tumor Necrosis Factor Drugs for Ulcerative Colitis.

PubMed

Cameron, Chris; Ewara, Emmanuel; Wilson, Florence R; Varu, Abhishek; Dyrda, Peter; Hutton, Brian; Ingham, Michael

2017-11-01

Adaptive trial designs present a methodological challenge when performing network meta-analysis (NMA), as data from such adaptive trial designs differ from conventional parallel design randomized controlled trials (RCTs). We aim to illustrate the importance of considering study design when conducting an NMA. Three NMAs comparing anti-tumor necrosis factor drugs for ulcerative colitis were compared and the analyses replicated using Bayesian NMA. The NMA comprised 3 RCTs comparing 4 treatments (adalimumab 40 mg, golimumab 50 mg, golimumab 100 mg, infliximab 5 mg/kg) and placebo. We investigated the impact of incorporating differences in the study design among the 3 RCTs and presented 3 alternative methods on how to convert outcome data derived from one form of adaptive design to more conventional parallel RCTs. Combining RCT results without considering variations in study design resulted in effect estimates that were biased against golimumab. In contrast, using the 3 alternative methods to convert outcome data from one form of adaptive design to a format more consistent with conventional parallel RCTs facilitated more transparent consideration of differences in study design. This approach is more likely to yield appropriate estimates of comparative efficacy when conducting an NMA, which includes treatments that use an alternative study design. RCTs based on adaptive study designs should not be combined with traditional parallel RCT designs in NMA. We have presented potential approaches to convert data from one form of adaptive design to more conventional parallel RCTs to facilitate transparent and less-biased comparisons.

HPC-NMF: A High-Performance Parallel Algorithm for Nonnegative Matrix Factorization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kannan, Ramakrishnan; Sukumar, Sreenivas R.; Ballard, Grey M.

NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient distributed algorithms to solve the problem for big data sets. We propose a high-performance distributed-memory parallel algorithm that computes the factorization by iteratively solving alternating non-negative least squares (NLS) subproblems formore » $$\\WW$$ and $$\\HH$$. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). As opposed to previous implementation, our algorithm is also flexible: It performs well for both dense and sparse matrices, and allows the user to choose any one of the multiple algorithms for solving the updates to low rank factors $$\\WW$$ and $$\\HH$$ within the alternating iterations.« less

Parallel equilibrium current effect on existence of reversed shear Alfvén eigenmodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Hua-sheng, E-mail: huashengxie@gmail.com; Xiao, Yong, E-mail: yxiao@zju.edu.cn

2015-02-15

A new fast global eigenvalue code, where the terms are segregated according to their physics contents, is developed to study Alfvén modes in tokamak plasmas, particularly, the reversed shear Alfvén eigenmode (RSAE). Numerical calculations show that the parallel equilibrium current corresponding to the kink term is strongly unfavorable for the existence of the RSAE. An improved criterion for the RSAE existence is given for with and without the parallel equilibrium current. In the limits of ideal magnetohydrodynamics (MHD) and zero-pressure, the toroidicity effect is the main possible favorable factor for the existence of the RSAE, which is however usually small.more » This suggests that it is necessary to include additional physics such as kinetic term in the MHD model to overcome the strong unfavorable effect of the parallel current in order to enable the existence of RSAE.« less

On nonlinear finite element analysis in single-, multi- and parallel-processors

NASA Technical Reports Server (NTRS)

Utku, S.; Melosh, R.; Islam, M.; Salama, M.

1982-01-01

Numerical solution of nonlinear equilibrium problems of structures by means of Newton-Raphson type iterations is reviewed. Each step of the iteration is shown to correspond to the solution of a linear problem, therefore the feasibility of the finite element method for nonlinear analysis is established. Organization and flow of data for various types of digital computers, such as single-processor/single-level memory, single-processor/two-level-memory, vector-processor/two-level-memory, and parallel-processors, with and without sub-structuring (i.e. partitioning) are given. The effect of the relative costs of computation, memory and data transfer on substructuring is shown. The idea of assigning comparable size substructures to parallel processors is exploited. Under Cholesky type factorization schemes, the efficiency of parallel processing is shown to decrease due to the occasional shared data, just as that due to the shared facilities.

Domain decomposition methods in aerodynamics

NASA Technical Reports Server (NTRS)

Venkatakrishnan, V.; Saltz, Joel

1990-01-01

Compressible Euler equations are solved for two-dimensional problems by a preconditioned conjugate gradient-like technique. An approximate Riemann solver is used to compute the numerical fluxes to second order accuracy in space. Two ways to achieve parallelism are tested, one which makes use of parallelism inherent in triangular solves and the other which employs domain decomposition techniques. The vectorization/parallelism in triangular solves is realized by the use of a recording technique called wavefront ordering. This process involves the interpretation of the triangular matrix as a directed graph and the analysis of the data dependencies. It is noted that the factorization can also be done in parallel with the wave front ordering. The performances of two ways of partitioning the domain, strips and slabs, are compared. Results on Cray YMP are reported for an inviscid transonic test case. The performances of linear algebra kernels are also reported.

Essential issues in multiprocessor systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gajski, D.D.; Peir, J.K.

1985-06-01

During the past several years, a great number of proposals have been made with the objective to increase supercomputer performance by an order of magnitude on the basis of a utilization of new computer architectures. The present paper is concerned with a suitable classification scheme for comparing these architectures. It is pointed out that there are basically four schools of thought as to the most important factor for an enhancement of computer performance. According to one school, the development of faster circuits will make it possible to retain present architectures, except, possibly, for a mechanism providing synchronization of parallel processes.more » A second school assigns priority to the optimization and vectorization of compilers, which will detect parallelism and help users to write better parallel programs. A third school believes in the predominant importance of new parallel algorithms, while the fourth school supports new models of computation. The merits of the four approaches are critically evaluated. 50 references.« less

A parallel finite-difference method for computational aerodynamics

NASA Technical Reports Server (NTRS)

Swisshelm, Julie M.

1989-01-01

A finite-difference scheme for solving complex three-dimensional aerodynamic flow on parallel-processing supercomputers is presented. The method consists of a basic flow solver with multigrid convergence acceleration, embedded grid refinements, and a zonal equation scheme. Multitasking and vectorization have been incorporated into the algorithm. Results obtained include multiprocessed flow simulations from the Cray X-MP and Cray-2. Speedups as high as 3.3 for the two-dimensional case and 3.5 for segments of the three-dimensional case have been achieved on the Cray-2. The entire solver attained a factor of 2.7 improvement over its unitasked version on the Cray-2. The performance of the parallel algorithm on each machine is analyzed.

Application of EEM fluorescence spectroscopy in understanding of the "LIGA" phenomenon in the Bay of Biscay (France)

NASA Astrophysics Data System (ADS)

Parot, Jérémie; Susperregui, Nicolas; Rouaud, Vanessa; Dubois, Laurent; Anglade, Nathalie; Parlanti, Edith

2014-05-01

Marine mucilage is present in all oceans over the world, and in particular in the Mediterranean Sea and in the Pacific Ocean. Surface water warming and hydrodynamic processes can favor the coalescence of marine mucilage, large marine aggregates representing an ephemeral and extreme habitat for biota. DOM is a heterogeneous, complex mixture of compounds, including extracellular polymeric substances (EPS), with wide ranging chemical properties and it is well known to interact with pollutants and to affect their transport and their fate in aquatic environment. The LIGA French research program focuses on tracing colloidal dissolved organic matter (DOM) sources and cycling in the Bay of Biscay (South Western French coast). This ephemeral phenomenon (called "LIGA" in the South West of France) has been observed more than 750 times since 2010. It presents a great ecological impact on marine ecosystems and has been shown to be concomitant with the development of pathogen organisms. A one-year intensive survey of fluorescent DOM was undertaken. From April 2013 until May 2014, water samples were monthly collected from the Adour River (main fresh water inputs) and from 2 sites in the Bay of Biscay at 3 depths of the water column (surface water, at the maximum of chlorophyll-a, and deep water). Moreover, intensified samplings took place from the appearance of the phenomenon twice a week during 4 weeks. UV/visible absorbance and excitation emission matrix (EEM) fluorescence spectroscopy combined with PARAFAC and PCA analyses have been used to characterize colloidal DOM in the Bay of Biscay in order to estimate DOM sources as well as spatial and temporal variability of DOM properties. The preliminary results, obtained for about 70 samples of this survey, have already highlighted spatial and temporal variations of DOM optical properties and a peculiar fluorescent component (exc300nm/em338nm) was detected while the LIGA phenomenon arises. The appearance of this specific fluorescence signal seems to be correlated with high freshwater and terrestrial DOM inputs combined with physical forcing (flows, swell) as well as a rise in temperature and sunshine. This work already allowed us to identify different sources of colloidal DOM in the Bay of Biscay and highlighted a specific fingerprint of the LIGA phenomenon. The combination of EEM fluorescence spectroscopy with PARAFAC and PCA analyses appears thus to be a very powerful tool for the long term monitoring of such a phenomenon and would be very useful for a better understanding of the biogeochemical processes in marine environments and of the marine colloidal DOM ecodynamics.

Enhancing the chemical selectivity in discovery-based analysis with tandem ionization time-of-flight mass spectrometry detection for comprehensive two-dimensional gas chromatography.

PubMed

Freye, Chris E; Moore, Nicholas R; Synovec, Robert E

2018-02-16

The complementary information provided by tandem ionization time-of-flight mass spectrometry (TI-TOFMS) is investigated for comparative discovery-based analysis, when coupled with comprehensive two-dimensional gas chromatography (GC × GC). The TI conditions implemented were a hard ionization energy (70 eV) concurrently collected with a soft ionization energy (14 eV). Tile-based Fisher ratio (F-ratio) analysis is used to analyze diesel fuel spiked with twelve analytes at a nominal concentration of 50 ppm. F-ratio analysis is a supervised discovery-based technique that compares two different sample classes, in this case spiked and unspiked diesel, to reduce the complex GC × GC-TI-TOFMS data into a hit list of class distinguishing analyte features. Hit lists of the 70 eV and 14 eV data sets, and the single hit list produced when the two data sets are fused together, are all investigated. For the 70 eV hit list, eleven of the twelve analytes were found in the top thirteen hits. For the 14 eV hit list, nine of the twelve analytes were found in the top nine hits, with the other three analytes either not found or well down the hit list. As expected, the F-ratios per m/z used to calculate each average F-ratio per hit were generally smaller fragment ions for the 70 eV data set, while the larger fragment ions were emphasized in the 14 eV data set, supporting the notion that complementary information was provided. The discovery rate was improved when F-ratio analysis was performed on the fused data sets resulted in eleven of the twelve analytes being at the top of the single hit list. Using PARAFAC, analytes that were "discovered" were deconvoluted in order to obtain their identification via match values (MV). Location of the analytes and the "F-ratio spectra" obtained from F-ratio analysis were used to guide the deconvolution. Eight of the twelve analytes where successfully deconvoluted and identified using the in-house library for the 70 eV data set. PARAFAC deconvolution of the two separate data sets provided increased confidence in identification of "discovered" analytes. Herein, we explore the limit of analyte discovery and limit of analyte identification, and demonstrate a general workflow for the investigation of key chemical features in complex samples. Copyright © 2018 Elsevier B.V. All rights reserved.

Characterization of extractable soil organic matter pools from African Dark Earths (AfDE): A case study in historical biochar and organic waste amendments

NASA Astrophysics Data System (ADS)

Fujiu, Manna; Plante, Alain; Ohno, Tsutomu; Solomon, Dawit; Lehmann, Johannes; Fraser, James; Leach, Melissa; Fairhead, James

2014-05-01

Anthropogenic Dark Earths are soils generated through long-term human inputs of organic and pyrogenic materials. These soils were originally discovered in the Amazon, and have since been found in Australia and in this case in Africa. African Dark Earths (AfDE) are black, highly fertile and carbon-rich soils that were formed from the original highly-weathered infertile yellowish to red Oxisols and Ultisols through an extant but hitherto overlooked climate-smart sustainable soil management system that has long been an important feature of the indigenous West African agricultural repertoire. Studies have demonstrated that ADE soils in general have significantly different organic matter properties compared to adjacent non-DE soils, largely attributable to the presence of high concentrations of ash-derived carbon. Quantification and characterization of bulk soil organic matter of several (n=11) AfDE and non-AfDE pairs of surface (0-15 cm) soils using thermal analysis techniques (TG-DSC-EGA) confirmed substantial differences in SOM composition and the presence of pyrogenic C. Such pyrogenic organic matter is generally considered recalcitrant or relatively stable, but the goal of the current study was to characterize the presumably labile, more rapidly cycling, pools of C in AfDEs through the characterization of hot water- and pyrophosphate-extractable fractions, referred to as HWEOC and PyroC respectively. Extracts were analyzed for carbon content, as well as composition using fluorescence (EEM/PARAFAC) and high resolution mass spectrometry (FTICR-MS). The amount of extractable C as a proportion of total soil C was relatively low: less than ~0.8% for HWEOC and 2.8% for PyroC. The proportion of HWEOC did not differ (P = 0.18, paired t-test) between the AfDE and the non-AfDE soils, while the proportions of PyroC were significantly larger (P = 0.001) in the AfDE soils compared to the non-AfDE soils. Preliminary analysis of the EEM/PARAFAC data suggests that AfDE samples had a greater fraction of their DOM that was more humic-like than the paired non-AfDE samples, though differences were small. Similarly, FTICR-MS analysis of hot water extracts suggests that differences among the three sites analyzed were larger than between the paired AfDE and non-AfDE extracts. Overall, in spite of substantial differences in the composition of bulk SOM, the extractable fractions appear to be relatively similar between the AfDE and non-AfDE soils.

Exploring visuospatial abilities and their contribution to constructional abilities and nonverbal intelligence.

PubMed

Trojano, Luigi; Siciliano, Mattia; Cristinzio, Chiara; Grossi, Dario

2018-01-01

The present study aimed at exploring relationships among the visuospatial tasks included in the Battery for Visuospatial Abilities (BVA), and at assessing the relative contribution of different facets of visuospatial processing on tests tapping constructional abilities and nonverbal abstract reasoning. One hundred forty-four healthy subjects with a normal score on Mini Mental State Examination completed the BVA plus Raven's Coloured Progressive Matrices and Constructional Apraxia test. We used Principal Axis Factoring and Parallel Analysis to investigate relationships among the BVA visuospatial tasks, and performed regression analyses to assess the visuospatial contribution to constructional abilities and nonverbal abstract reasoning. Principal Axis Factoring and Parallel Analysis revealed two eigenvalues exceeding 1, accounting for about 60% of the variance. A 2-factor model provided the best fit. Factor 1 included sub-tests exploring "complex" visuospatial skills, whereas Factor 2 included two subtests tapping "simple" visuospatial skills. Regression analyses revealed that both Factor 1 and Factor 2 significantly affected performance on Raven's Coloured Progressive Matrices, whereas only the Factor 1 affected performance on Constructional Apraxia test. Our results supported functional segregation proposed by De Renzi, suggesting clinical caution to utilize a single test to assess visuospatial domain, and qualified the visuospatial contribution in drawing and non-verbal intelligence test.

One factor or two parallel processes? Comorbidity and development of adolescent anxiety and depressive disorder symptoms.

PubMed

Hale, William W; Raaijmakers, Quinten A W; Muris, Peter; van Hoof, Anne; Meeus, Wim H J

2009-10-01

This study investigates whether anxiety and depressive disorder symptoms of adolescents from the general community are best described by a model that assumes they are indicative of one general factor or by a model that assumes they are two distinct disorders with parallel growth processes. Additional analyses were conducted to explore the comorbidity of adolescent anxiety and depressive disorder symptoms and the effects that adolescent anxiety and depressive disorder symptoms have on each other's symptom severity growth. Two cohorts of early (N = 923; Age range 10-15 years; Mean age = 12.4, SD = .59; Girls = 49%) and middle adolescent (N = 390; Age range 16-20 years; Mean age = 16.7, SD = .80; Girls = 57%) boys and girls from the general community were prospectively studied annually for five years. These two adolescent cohorts were divided into five groups: one group at-risk for developing a specific anxiety disorder and four additional groups of healthy adolescents that differed in age and sex. Self-reported anxiety and depressive disorder symptoms were analyzed with latent growth modeling. Comparison of the fit statistics of the two models clearly demonstrates the superiority of the distinct disorders with parallel growth processes model above the one factor model. It was also demonstrated that the initial symptom severity of either anxiety or depression is predictive of the development of the other, though in different ways for the at-risk and healthy adolescent groups. The results of this study established that the development of anxiety and depressive disorder symptoms of adolescents from the general community occurs as two distinct disorders with parallel growth processes, each with their own unique growth characteristics.

Parallel imaging of knee cartilage at 3 Tesla.

PubMed

Zuo, Jin; Li, Xiaojuan; Banerjee, Suchandrima; Han, Eric; Majumdar, Sharmila

2007-10-01

To evaluate the feasibility and reproducibility of quantitative cartilage imaging with parallel imaging at 3T and to determine the impact of the acceleration factor (AF) on morphological and relaxation measurements. An eight-channel phased-array knee coil was employed for conventional and parallel imaging on a 3T scanner. The imaging protocol consisted of a T2-weighted fast spin echo (FSE), a 3D-spoiled gradient echo (SPGR), a custom 3D-SPGR T1rho, and a 3D-SPGR T2 sequence. Parallel imaging was performed with an array spatial sensitivity technique (ASSET). The left knees of six healthy volunteers were scanned with both conventional and parallel imaging (AF = 2). Morphological parameters and relaxation maps from parallel imaging methods (AF = 2) showed comparable results with conventional method. The intraclass correlation coefficient (ICC) of the two methods for cartilage volume, mean cartilage thickness, T1rho, and T2 were 0.999, 0.977, 0.964, and 0.969, respectively, while demonstrating excellent reproducibility. No significant measurement differences were found when AF reached 3 despite the low signal-to-noise ratio (SNR). The study demonstrated that parallel imaging can be applied to current knee cartilage quantification at AF = 2 without degrading measurement accuracy with good reproducibility while effectively reducing scan time. Shorter imaging times can be achieved with higher AF at the cost of SNR. (c) 2007 Wiley-Liss, Inc.

Efficiency of parallel direct optimization

NASA Technical Reports Server (NTRS)

Janies, D. A.; Wheeler, W. C.

2001-01-01

Tremendous progress has been made at the level of sequential computation in phylogenetics. However, little attention has been paid to parallel computation. Parallel computing is particularly suited to phylogenetics because of the many ways large computational problems can be broken into parts that can be analyzed concurrently. In this paper, we investigate the scaling factors and efficiency of random addition and tree refinement strategies using the direct optimization software, POY, on a small (10 slave processors) and a large (256 slave processors) cluster of networked PCs running LINUX. These algorithms were tested on several data sets composed of DNA and morphology ranging from 40 to 500 taxa. Various algorithms in POY show fundamentally different properties within and between clusters. All algorithms are efficient on the small cluster for the 40-taxon data set. On the large cluster, multibuilding exhibits excellent parallel efficiency, whereas parallel building is inefficient. These results are independent of data set size. Branch swapping in parallel shows excellent speed-up for 16 slave processors on the large cluster. However, there is no appreciable speed-up for branch swapping with the further addition of slave processors (>16). This result is independent of data set size. Ratcheting in parallel is efficient with the addition of up to 32 processors in the large cluster. This result is independent of data set size. c2001 The Willi Hennig Society.

Grammatical Role Parallelism Influences Ambiguous Pronoun Resolution in German

PubMed Central

Sauermann, Antje; Gagarina, Natalia

2017-01-01

Previous research on pronoun resolution in German revealed that personal pronouns in German tend to refer to the subject or topic antecedents, however, these results are based on studies involving subject personal pronouns. We report a visual world eye-tracking study that investigated the impact of the word order and grammatical role parallelism on the online comprehension of pronouns in German-speaking adults. Word order of the antecedents and parallelism by the grammatical role of the anaphor was modified in the study. The results show that parallelism of the grammatical role had an early and strong effect on the processing of the pronoun, with subject anaphors being resolved to subject antecedents and object anaphors to object antecedents, regardless of the word order (information status) of the antecedents. Our results demonstrate that personal pronouns may not in general be associated with the subject or topic of a sentence but that their resolution is modulated by additional factors such as the grammatical role. Further studies are required to investigate whether parallelism also affects offline antecedent choices. PMID:28790940

Physics Structure Analysis of Parallel Waves Concept of Physics Teacher Candidate

NASA Astrophysics Data System (ADS)

Sarwi, S.; Supardi, K. I.; Linuwih, S.

2017-04-01

The aim of this research was to find a parallel structure concept of wave physics and the factors that influence on the formation of parallel conceptions of physics teacher candidates. The method used qualitative research which types of cross-sectional design. These subjects were five of the third semester of basic physics and six of the fifth semester of wave course students. Data collection techniques used think aloud and written tests. Quantitative data were analysed with descriptive technique-percentage. The data analysis technique for belief and be aware of answers uses an explanatory analysis. Results of the research include: 1) the structure of the concept can be displayed through the illustration of a map containing the theoretical core, supplements the theory and phenomena that occur daily; 2) the trend of parallel conception of wave physics have been identified on the stationary waves, resonance of the sound and the propagation of transverse electromagnetic waves; 3) the influence on the parallel conception that reading textbooks less comprehensive and knowledge is partial understanding as forming the structure of the theory.

Concentration and spectroscopic characteristics of DOM in surface runoff and fracture flow in a cropland plot of a loamy soil.

PubMed

Xian, Qingsong; Li, Penghui; Liu, Chen; Cui, Junfang; Guan, Zhuo; Tang, Xiangyu

2018-05-01

Being crucial for predicting the impact of source inputs on a watershed in rainfall events, an understanding of the dynamics and characteristics of dissolved organic matter (DOM) export from the soil under particular land use types, particularly those associated with underground flows is still largely lacking. A field study was carried out using a 1500m 2 slope farmland plot in the hilly area of Sichuan Basin, Southwest China. The discharge of surface runoff and fracture flow was recorded and samples were collected in four representative rainfall events. For DOM characterization, concentration of dissolved organic carbon (DOC) and absorbance/excitation-emission matrix (EEM) fluorescence were analyzed. Soil water potential was also determined using tensiometers for understanding the runoff generation mechanisms. The DOC values for both surface and fracture flow showed significant responses to rainfall, with hydrological path being the primary factor in determining DOM dynamics. EEM-PARAFAC analyses indicated that the soil DOM mainly consisted of two terrestrial humic-like components with peaks located at Ex/Em 270(380)/480nm (C1) and 250(320)/410nm (C2), respectively. Concentrations of these components also responded strongly to rainfall, fluctuating in good agreement with the corresponding DOCs. Although there was no change in the presence of the components themselves, their relative distributions varied during precipitation, with the C1/C2 ratio increasing with the proportion of soil pre-event water. As the dynamic changes of soil DOM characteristics can be successfully captured using spectroscopic techniques, they may serve as a tracer for understanding hydrological paths based on their potential correlations with water source differences during rains. Copyright © 2017 Elsevier B.V. All rights reserved.

Parallel iterative solution for h and p approximations of the shallow water equations

USGS Publications Warehouse

Barragy, E.J.; Walters, R.A.

1998-01-01

A p finite element scheme and parallel iterative solver are introduced for a modified form of the shallow water equations. The governing equations are the three-dimensional shallow water equations. After a harmonic decomposition in time and rearrangement, the resulting equations are a complex Helmholz problem for surface elevation, and a complex momentum equation for the horizontal velocity. Both equations are nonlinear and the resulting system is solved using the Picard iteration combined with a preconditioned biconjugate gradient (PBCG) method for the linearized subproblems. A subdomain-based parallel preconditioner is developed which uses incomplete LU factorization with thresholding (ILUT) methods within subdomains, overlapping ILUT factorizations for subdomain boundaries and under-relaxed iteration for the resulting block system. The method builds on techniques successfully applied to linear elements by introducing ordering and condensation techniques to handle uniform p refinement. The combined methods show good performance for a range of p (element order), h (element size), and N (number of processors). Performance and scalability results are presented for a field scale problem where up to 512 processors are used. ?? 1998 Elsevier Science Ltd. All rights reserved.

Research on the Application of Fast-steering Mirror in Stellar Interferometer

NASA Astrophysics Data System (ADS)

Mei, R.; Hu, Z. W.; Xu, T.; Sun, C. S.

2017-07-01

For a stellar interferometer, the fast-steering mirror (FSM) is widely utilized to correct wavefront tilt caused by atmospheric turbulence and internal instrumental vibration due to its high resolution and fast response frequency. In this study, the non-coplanar error between the FSM and actuator deflection axis introduced by manufacture, assembly, and adjustment is analyzed. Via a numerical method, the additional optical path difference (OPD) caused by above factors is studied, and its effects on tracking accuracy of stellar interferometer are also discussed. On the other hand, the starlight parallelism between the beams of two arms is one of the main factors of the loss of fringe visibility. By analyzing the influence of wavefront tilt caused by the atmospheric turbulence on fringe visibility, a simple and efficient real-time correction scheme of starlight parallelism is proposed based on a single array detector. The feasibility of this scheme is demonstrated by laboratory experiment. The results show that starlight parallelism meets the requirement of stellar interferometer in wavefront tilt preliminarily after the correction of fast-steering mirror.

Flow chemistry and polymer-supported pseudoenantiomeric acylating agents enable parallel kinetic resolution of chiral saturated N-heterocycles

NASA Astrophysics Data System (ADS)

Kreituss, Imants; Bode, Jeffrey W.

2017-05-01

Kinetic resolution is a common method to obtain enantioenriched material from a racemic mixture. This process will deliver enantiopure unreacted material when the selectivity factor of the process, s, is greater than 1; however, the scalemic reaction product is often discarded. Parallel kinetic resolution, on the other hand, provides access to two enantioenriched products from a single racemic starting material, but suffers from a variety of practical challenges regarding experimental design that limit its applications. Here, we describe the development of a flow-based system that enables practical parallel kinetic resolution of saturated N-heterocycles. This process provides access to both enantiomers of the starting material in good yield and high enantiopurity; similar results with classical kinetic resolution would require selectivity factors in the range of s = 100. To achieve this, two immobilized quasienantiomeric acylating agents were designed for the asymmetric acylation of racemic saturated N-heterocycles. Using the flow-based system we could efficiently separate, recover and reuse the polymer-supported reagents. The amide products could be readily separated and hydrolysed to the corresponding amines without detectable epimerization.

Real time monitoring of urban surface water quality using a submersible, tryptophan-like fluorescence sensor

NASA Astrophysics Data System (ADS)

Khamis, Kieran; Bradley, Chris; Hannah, David; Stevens, Rob

2014-05-01

Due to the recent development of field-deployable optical sensor technology, continuous quantification and characterization of surface water dissolved organic matter (DOM) is possible now. Tryptophan-like (T1) fluorescence has the potential to be a particularly useful indicator of human influence on water quality as T1 peaks are associated with the input of labial organic carbon (e.g. sewage or farm waste) and its microbial breakdown. Hence, real-time recording of T1 fluorescence could be particular useful for monitoring waste water infrastructure, treatment efficiency and the identification of contamination events at higher temporal resolution than available hitherto. However, an understanding of sensor measurement repeatability/transferability and interaction with environmental parameters (e.g. turbidity) is required. Here, to address this practical knowledge gap, we present results from a rigorous test of a commercially available submersible tryptophan fluorometer (λex 285, λem 350). Sensor performance was first examined in the laboratory by incrementally increasing turbidity under controlled conditions. Further to this the sensor was integrated into a multi-parameter sonde and field tests were undertaken involving: (i) a spatial sampling campaign across a range of surface water sites in the West Midlands, UK; and (ii) collection of high resolution (sub-hourly) samples from an urban stream (Bournbrook, Birmingham, U.K). To determine the ability of the sensor to capture spatiotemporal dynamics of urban waters DOM was characterized for each site or discrete time step using Excitation Emission Matrix spectroscopy and PARAFAC. In both field and laboratory settings fluorescence intensity was attenuated at high turbidity due to suspended particles increasing absorption and light scattering. For the spatial survey, instrument readings were compared to those obtained by a laboratory grade fluorometer (Varian Cary Eclipse) and a strong, linear relationship was apparent (R2 > 0.7). Parallel water sampling and laboratory analysis identified the potential for correction of T1 fluorescence intensity based on turbidity readings. These findings highlight the potential utility of real time monitoring of T1 fluorescence for a range of environmental applications (e.g. monitoring sewage treatment processes and tracing polluting DOM sources). However, if high/variable suspended sediment loads are anticipated concurrent monitoring of turbidity is required for accurate readings.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Ang; Song, Shuaiwen; Brugel, Eric

To continuously comply with Moore’s Law, modern parallel machines become increasingly complex. Effectively tuning application performance for these machines therefore becomes a daunting task. Moreover, identifying performance bottlenecks at application and architecture level, as well as evaluating various optimization strategies, are becoming extremely difficult when the entanglement of numerous correlated factors is being presented. To tackle these challenges, we present a visual analytical model named “X”. It is intuitive and sufficiently flexible to track all the typical features of a parallel machine.

A clamped rectangular plate containing a crack

NASA Technical Reports Server (NTRS)

Tang, R.; Erdogan, F.

1985-01-01

The general problem of a rectangular plate clamped along two parallel sides and containing a crack parallel to the clamps is considered. The problem is formulated in terms of a system of singular integral equations and the asymptotic behavior of the stress state near the corners is investigated. Numerical examples are considered for a clamped plate without a crack and with a centrally located crack, and the stress intensity factors and the stresses along the clamps are calculated.

Proceedings of the Conference on Knowledge-Based Software Assistant (5th) Held in Liverpool, New York on 24-28 September 1990

DTIC Science & Technology

1991-03-01

factor which made TTL-design so powerful was the implicit knowledge that for any object in the TTL Databook, that object’s implementation and...functions as values. Thus, its reasoning power matches the descriptive power of the higher order languages in the previous section. First, the definitions...developing parallel algorithms to better utilize the power of the explicitly parallel programming language constructs. Currently, the methodologies

Confinement of plasma along shaped open magnetic fields from the centrifugal force of supersonic plasma rotation.

PubMed

Teodorescu, C; Young, W C; Swan, G W S; Ellis, R F; Hassam, A B; Romero-Talamas, C A

2010-08-20

Interferometric density measurements in plasmas rotating in shaped, open magnetic fields demonstrate strong confinement of plasma parallel to the magnetic field, with density drops of more than a factor of 10. Taken together with spectroscopic measurements of supersonic E × B rotation of sonic Mach 2, these measurements are in agreement with ideal MHD theory which predicts large parallel pressure drops balanced by centrifugal forces in supersonically rotating plasmas.

DNA Assembly with De Bruijn Graphs Using an FPGA Platform.

PubMed

Poirier, Carl; Gosselin, Benoit; Fortier, Paul

2018-01-01

This paper presents an FPGA implementation of a DNA assembly algorithm, called Ray, initially developed to run on parallel CPUs. The OpenCL language is used and the focus is placed on modifying and optimizing the original algorithm to better suit the new parallelization tool and the radically different hardware architecture. The results show that the execution time is roughly one fourth that of the CPU and factoring energy consumption yields a tenfold savings.

Incomplete Sparse Approximate Inverses for Parallel Preconditioning

DOE PAGES

Anzt, Hartwig; Huckle, Thomas K.; Bräckle, Jürgen; ...

2017-10-28

In this study, we propose a new preconditioning method that can be seen as a generalization of block-Jacobi methods, or as a simplification of the sparse approximate inverse (SAI) preconditioners. The “Incomplete Sparse Approximate Inverses” (ISAI) is in particular efficient in the solution of sparse triangular linear systems of equations. Those arise, for example, in the context of incomplete factorization preconditioning. ISAI preconditioners can be generated via an algorithm providing fine-grained parallelism, which makes them attractive for hardware with a high concurrency level. Finally, in a study covering a large number of matrices, we identify the ISAI preconditioner as anmore » attractive alternative to exact triangular solves in the context of incomplete factorization preconditioning.« less

Symmetric nonnegative matrix factorization: algorithms and applications to probabilistic clustering.

PubMed

He, Zhaoshui; Xie, Shengli; Zdunek, Rafal; Zhou, Guoxu; Cichocki, Andrzej

2011-12-01

Nonnegative matrix factorization (NMF) is an unsupervised learning method useful in various applications including image processing and semantic analysis of documents. This paper focuses on symmetric NMF (SNMF), which is a special case of NMF decomposition. Three parallel multiplicative update algorithms using level 3 basic linear algebra subprograms directly are developed for this problem. First, by minimizing the Euclidean distance, a multiplicative update algorithm is proposed, and its convergence under mild conditions is proved. Based on it, we further propose another two fast parallel methods: α-SNMF and β -SNMF algorithms. All of them are easy to implement. These algorithms are applied to probabilistic clustering. We demonstrate their effectiveness for facial image clustering, document categorization, and pattern clustering in gene expression.

Parallel Preconditioning for CFD Problems on the CM-5

NASA Technical Reports Server (NTRS)

Simon, Horst D.; Kremenetsky, Mark D.; Richardson, John; Lasinski, T. A. (Technical Monitor)

1994-01-01

Up to today, preconditioning methods on massively parallel systems have faced a major difficulty. The most successful preconditioning methods in terms of accelerating the convergence of the iterative solver such as incomplete LU factorizations are notoriously difficult to implement on parallel machines for two reasons: (1) the actual computation of the preconditioner is not very floating-point intensive, but requires a large amount of unstructured communication, and (2) the application of the preconditioning matrix in the iteration phase (i.e. triangular solves) are difficult to parallelize because of the recursive nature of the computation. Here we present a new approach to preconditioning for very large, sparse, unsymmetric, linear systems, which avoids both difficulties. We explicitly compute an approximate inverse to our original matrix. This new preconditioning matrix can be applied most efficiently for iterative methods on massively parallel machines, since the preconditioning phase involves only a matrix-vector multiplication, with possibly a dense matrix. Furthermore the actual computation of the preconditioning matrix has natural parallelism. For a problem of size n, the preconditioning matrix can be computed by solving n independent small least squares problems. The algorithm and its implementation on the Connection Machine CM-5 are discussed in detail and supported by extensive timings obtained from real problem data.

Retargeting of existing FORTRAN program and development of parallel compilers

NASA Technical Reports Server (NTRS)

Agrawal, Dharma P.

1988-01-01

The software models used in implementing the parallelizing compiler for the B-HIVE multiprocessor system are described. The various models and strategies used in the compiler development are: flexible granularity model, which allows a compromise between two extreme granularity models; communication model, which is capable of precisely describing the interprocessor communication timings and patterns; loop type detection strategy, which identifies different types of loops; critical path with coloring scheme, which is a versatile scheduling strategy for any multicomputer with some associated communication costs; and loop allocation strategy, which realizes optimum overlapped operations between computation and communication of the system. Using these models, several sample routines of the AIR3D package are examined and tested. It may be noted that automatically generated codes are highly parallelized to provide the maximized degree of parallelism, obtaining the speedup up to a 28 to 32-processor system. A comparison of parallel codes for both the existing and proposed communication model, is performed and the corresponding expected speedup factors are obtained. The experimentation shows that the B-HIVE compiler produces more efficient codes than existing techniques. Work is progressing well in completing the final phase of the compiler. Numerous enhancements are needed to improve the capabilities of the parallelizing compiler.

Size Effect of Ground Patterns on FM-Band Cross-Talks between Two Parallel Signal Traces of Printed Circuit Boards for Vehicles

NASA Astrophysics Data System (ADS)

Iida, Michihira; Maeno, Tsuyoshi; Wang, Jianqing; Fujiwara, Osamu

Electromagnetic disturbances in vehicle-mounted radios are mainly caused by conducted noise currents flowing through wiring-harnesses from vehicle-mounted printed circuit boards (PCBs) with common slitting ground patterns. To suppress these kinds of noise currents, we previously measured them for simple two-layer PCBs with two parallel signal traces and slitting or non-slitting ground patterns, and then investigated by the FDTD simulation the reduction characteristics of the FM-band cross-talk noise levels between two parallel signal traces on six simple PCB models having different slitting ground or different divided ground patterns parallel to the traces. As a result, we found that the contributory factor for the FM-band cross-talk reduction is the reduction of mutual inductance between the two parallel traces, and also the noise currents from PCBs can rather be suppressed even if the size of the return ground becomes small. In this study, to investigate this finding, we further simulated the frequency characteristics of cross-talk reduction for additional six simple PCB models with different dividing dimensions ground patterns parallel to the traces, which revealed an interesting phenomenon that cross-talk reduction characteristics do not always decrease with increasing the width between the divided ground patterns.

The eudaimonic component of satisfaction with life and psychological well-being in Spanish cultures.

PubMed

Díaz, Darío; Stavraki, María; Blanco, Amalio; Gandarillas, Beatriz

2015-01-01

In the study of well-being there are two partially overlapping traditions that have been developed in parallel. Subjective well-being (SWB) has been associated with the hedonistic approach of well-being, and psychological well-being (PWB) with the eudaimonistic one. However, satisfaction with life, the most common SWB indicator, is not strictly a hedonic concept and contains many eudaimonic components. The objective of this research is to examine whether a Eudaimonic Well-being G-Factor of Satisfaction with Life (SWLS) and Psychological Well-being Scales (PWBS) emerges. 400 people from the general population of Colombia (Study 1) and 401 from Spain (Study 2), recruited via advertisement, voluntarily participated and filled in a booklet containing, in order of appearance, the PWBS and the SWLS. According to our hypothesis, parallel analysis, eigenvalues, scree plot graphs and exploratory factor analysis (Study 1) suggested the existence of a one-factor structure. Confirmatory factor analysis (Study 2) indicated that this one-factor model provided excellent data fit. Results of a multi-group confirmatory factor analysis confirmed cross-cultural factor invariance. These results question the view that the satisfaction with life indicator is uniquely hedonic and point to the need for a greater integration between hedonic and eudaimonic traditions.

Flynn Effects on Sub-Factors of Episodic and Semantic Memory: Parallel Gains over Time and the Same Set of Determining Factors

ERIC Educational Resources Information Center

Ronnlund, Michael; Nilsson, Lars-Goran.

2009-01-01

The study examined the extent to which time-related gains in cognitive performance, so-called Flynn effects, generalize across sub-factors of episodic memory (recall and recognition) and semantic memory (knowledge and fluency). We conducted time-sequential analyses of data drawn from the Betula prospective cohort study, involving four age-matched…

The influence of hand positions on biomechanical injury risk factors at the wrist joint during the round-off skills in female gymnastics.

PubMed

Farana, Roman; Jandacka, Daniel; Uchytil, Jaroslav; Zahradnik, David; Irwin, Gareth

2017-01-01

The aim of this study was to examine the biomechanical injury risk factors at the wrist, including joint kinetics, kinematics and stiffness in the first and second contact limb for parallel and T-shape round-off (RO) techniques. Seven international-level female gymnasts performed 10 trials of the RO to back handspring with parallel and T-shape hand positions. Synchronised kinematic (3D motion analysis system; 247 Hz) and kinetic (two force plates; 1235 Hz) data were collected for each trial. A two-way repeated measure analysis of variance (ANOVA) assessed differences in the kinematic and kinetic parameters between the techniques for each contact limb. The main findings highlighted that in both the RO techniques, the second contact limb wrist joint is exposed to higher mechanical loads than the first contact limb demonstrated by increased axial compression force and loading rate. In the parallel technique, the second contact limb wrist joint is exposed to higher axial compression load. Differences between wrist joint kinetics highlight that the T-shape technique may potentially lead to reducing these bio-physical loads and consequently protect the second contact limb wrist joint from overload and biological failure. Highlighting the biomechanical risk factors facilitates the process of technique selection making more objective and safe.

The R package "sperrorest" : Parallelized spatial error estimation and variable importance assessment for geospatial machine learning

NASA Astrophysics Data System (ADS)

Schratz, Patrick; Herrmann, Tobias; Brenning, Alexander

2017-04-01

Computational and statistical prediction methods such as the support vector machine have gained popularity in remote-sensing applications in recent years and are often compared to more traditional approaches like maximum-likelihood classification. However, the accuracy assessment of such predictive models in a spatial context needs to account for the presence of spatial autocorrelation in geospatial data by using spatial cross-validation and bootstrap strategies instead of their now more widely used non-spatial equivalent. The R package sperrorest by A. Brenning [IEEE International Geoscience and Remote Sensing Symposium, 1, 374 (2012)] provides a generic interface for performing (spatial) cross-validation of any statistical or machine-learning technique available in R. Since spatial statistical models as well as flexible machine-learning algorithms can be computationally expensive, parallel computing strategies are required to perform cross-validation efficiently. The most recent major release of sperrorest therefore comes with two new features (aside from improved documentation): The first one is the parallelized version of sperrorest(), parsperrorest(). This function features two parallel modes to greatly speed up cross-validation runs. Both parallel modes are platform independent and provide progress information. par.mode = 1 relies on the pbapply package and calls interactively (depending on the platform) parallel::mclapply() or parallel::parApply() in the background. While forking is used on Unix-Systems, Windows systems use a cluster approach for parallel execution. par.mode = 2 uses the foreach package to perform parallelization. This method uses a different way of cluster parallelization than the parallel package does. In summary, the robustness of parsperrorest() is increased with the implementation of two independent parallel modes. A new way of partitioning the data in sperrorest is provided by partition.factor.cv(). This function gives the user the possibility to perform cross-validation at the level of some grouping structure. As an example, in remote sensing of agricultural land uses, pixels from the same field contain nearly identical information and will thus be jointly placed in either the test set or the training set. Other spatial sampling resampling strategies are already available and can be extended by the user.

Fluorescence spectroscopy of soil pellets : The use of CP/PARAFAC.

NASA Astrophysics Data System (ADS)

Mounier, Stéphane; Nicolodeli, Gustavo; Redon, Roland; Hacherouf, Kalhed; Milori, Debora M. B. P.

2014-05-01

Fluorescence spectroscopy is one of the most sensitive techniques available for analytical purposes. It is relatively easy to implement, phenomenologically straightforward and well investigated. Largely non-invasive and fast, so that it can be useful for environmental applications. Fluorescence phenomenon is highly probable in molecular systems containing atoms with lone pairs of electrons such as C=O, aromatic, phenolic, quinone and more rigid unsaturated conjugated systems. These functional groups are present in humic substances (HS) from soils (Senesi, 1990; N. Senesi et al., 1991) and represent the main fluorophors of Soil Organic Matter (SOM). The extension of the conjugated electronic system, the level of heteroatom substitution and type and number of substituting groups under the aromatic rings strongly affect the intensity and wavelength of molecular fluorescence. However, to analyse the SOM it is generally done a chemical extraction that allows measuring the fluorescence response of the liquid extract. To avoid this fractionation of the SOM, Milori et al. (2006) proposed the application of laser induced fluorescence spectroscopy (LIFS) in whole soil. This work intends to assess the technical feasibility of 3D fluorescence spectroscopy using lamp for excitation to analyse solids opaque samples prepared with different substances. Seventy four (74) solid samples were prepared from different mixtures of boric acid (BA), humic substance acid and tryptophan (TRP) powder. The compounds were mixture and a pellet was done by using pressure (8 ton). The pellets were measured using a spectrofluorimeter HITACHI F4500, and a 3D fluorescence tensor was done from emission spectra (200-600 nm) with excitation range from 200 to 500 nm. The acquisition parameters were: step at 5 nm, scan speed at 2400 nm.min-1, response time at 0.1 s, excitation and emission slits at 5 nm and photomultiplier voltage at 700 V. Furthermore, measures of Laser-induced Fluorescence were performed in pellets (boric and humic acids mixture) using a portable system built by Embrapa Instrumentation. It comprises a diode laser (Coherent - CUBE) emitting at 405 nm (50 mW), and the detection of emission by a high sensitivity mini-spectrometer (USB4000 - Ocean Optics) using a range from 440 to 800 nm. In first step, the 3D tensors were then treated by the CP/PARAFAC algorithm to decompose the signal response after removing the diffusion signal : three components were extracted with a CORCONDIA over 60%. The first component can be associate an artefact of the measurement or boric acid fluorescence, the second and third component could the related to the two different fluorescence contributions of tryptophan molecule, one with central excitation/emission in 290/360 nm and other in 350/465 nm. The presence of a small quantity (i.e. few percent in mass) of humic acid (HA) is quenching drastically the TRP fluorescence. Complementary, measurements will be performed to understand this behaviour taking in account the absorption wavelength by the surface (colour) and by measuring the time life fluorescence of the samples. Humic acid fluorescence in pellets (BA and HA) cannot be observed using lamp + monochromator excitation due to low intensity of source. The same pellets were measure using LIFS system, and fluorescence intensity increased as a function of concentration of HA until occur the inner filter effect from 300 ppm, similar to the behaviour of HA in solution. Even whether solid surface measurements are easier, understanding is not yet clear. More investigation needs to be done. Moreover, it should be important to know if the use of CP/PARAFAC decomposition for such data is relevant with the trilinear model. References Milori, D.M.B.P., Galeti, H.V.A., Martin-Neto, L., Dieckow, J., González-Pérez, M., Bayer, C., Salton, J., 2006. Organic Matter Study of Whole Soil Samples Using Laser-Induced Fluorescence Spectroscopy. Soil Science Society of America Journal 70, 57. N. Senesi, TM, M., MR, P., Brunetti., G., 1991. Characterization, differentiation and classification of humic substances by fluorescence spectroscopy. Soil Science 152, 259-271. Senesi, N., 1990. Molecular and quantitative aspects of the chemistry of fulvic acid and its interactions with metal ions and organic chemicals. Analytica Chimica Acta 232, 77-106.

Measuring signal-to-noise ratio in partially parallel imaging MRI

PubMed Central

Goerner, Frank L.; Clarke, Geoffrey D.

2011-01-01

Purpose: To assess five different methods of signal-to-noise ratio (SNR) measurement for partially parallel imaging (PPI) acquisitions. Methods: Measurements were performed on a spherical phantom and three volunteers using a multichannel head coil a clinical 3T MRI system to produce echo planar, fast spin echo, gradient echo, and balanced steady state free precession image acquisitions. Two different PPI acquisitions, generalized autocalibrating partially parallel acquisition algorithm and modified sensitivity encoding with acceleration factors (R) of 2–4, were evaluated and compared to nonaccelerated acquisitions. Five standard SNR measurement techniques were investigated and Bland–Altman analysis was used to determine agreement between the various SNR methods. The estimated g-factor values, associated with each method of SNR calculation and PPI reconstruction method, were also subjected to assessments that considered the effects on SNR due to reconstruction method, phase encoding direction, and R-value. Results: Only two SNR measurement methods produced g-factors in agreement with theoretical expectations (g ≥ 1). Bland–Altman tests demonstrated that these two methods also gave the most similar results relative to the other three measurements. R-value was the only factor of the three we considered that showed significant influence on SNR changes. Conclusions: Non-signal methods used in SNR evaluation do not produce results consistent with expectations in the investigated PPI protocols. Two of the methods studied provided the most accurate and useful results. Of these two methods, it is recommended, when evaluating PPI protocols, the image subtraction method be used for SNR calculations due to its relative accuracy and ease of implementation. PMID:21978049

Parallel Spectral Acquisition with an Ion Cyclotron Resonance Cell Array.

PubMed

Park, Sung-Gun; Anderson, Gordon A; Navare, Arti T; Bruce, James E

2016-01-19

Mass measurement accuracy is a critical analytical figure-of-merit in most areas of mass spectrometry application. However, the time required for acquisition of high-resolution, high mass accuracy data limits many applications and is an aspect under continual pressure for development. Current efforts target implementation of higher electrostatic and magnetic fields because ion oscillatory frequencies increase linearly with field strength. As such, the time required for spectral acquisition of a given resolving power and mass accuracy decreases linearly with increasing fields. Mass spectrometer developments to include multiple high-resolution detectors that can be operated in parallel could further decrease the acquisition time by a factor of n, the number of detectors. Efforts described here resulted in development of an instrument with a set of Fourier transform ion cyclotron resonance (ICR) cells as detectors that constitute the first MS array capable of parallel high-resolution spectral acquisition. ICR cell array systems consisting of three or five cells were constructed with printed circuit boards and installed within a single superconducting magnet and vacuum system. Independent ion populations were injected and trapped within each cell in the array. Upon filling the array, all ions in all cells were simultaneously excited and ICR signals from each cell were independently amplified and recorded in parallel. Presented here are the initial results of successful parallel spectral acquisition, parallel mass spectrometry (MS) and MS/MS measurements, and parallel high-resolution acquisition with the MS array system.

Simplified and quick electrical modeling for dye sensitized solar cells: An experimental and theoretical investigation

NASA Astrophysics Data System (ADS)

de Andrade, Rocelito Lopes; de Oliveira, Matheus Costa; Kohlrausch, Emerson Cristofer; Santos, Marcos José Leite

2018-05-01

This work presents a new and simple method for determining IPH (current source dependent on luminance), I0 (reverse saturation current), n (ideality factor), RP and RS, (parallel and series resistance) to build an electrical model for dye sensitized solar cells (DSSCs). The electrical circuit parameters used in the simulation and to generate theoretical curves for the single diode electrical model were extracted from I-V curves of assembled DSSCs. Model validation was performed by assembling five different types of DSSCs and evaluating the following parameters: effect of a TiO2 blocking/adhesive layer, thickness of the TiO2 layer and the presence of a light scattering layer. In addition, irradiance, temperature, series and parallel resistance, ideality factor and reverse saturation current were simulated.

Vector processing efficiency of plasma MHD codes by use of the FACOM 230-75 APU

NASA Astrophysics Data System (ADS)

Matsuura, T.; Tanaka, Y.; Naraoka, K.; Takizuka, T.; Tsunematsu, T.; Tokuda, S.; Azumi, M.; Kurita, G.; Takeda, T.

1982-06-01

In the framework of pipelined vector architecture, the efficiency of vector processing is assessed with respect to plasma MHD codes in nuclear fusion research. By using a vector processor, the FACOM 230-75 APU, the limit of the enhancement factor due to parallelism of current vector machines is examined for three numerical codes based on a fluid model. Reasonable speed-up factors of approximately 6,6 and 4 times faster than the highly optimized scalar version are obtained for ERATO (linear stability code), AEOLUS-R1 (nonlinear stability code) and APOLLO (1-1/2D transport code), respectively. Problems of the pipelined vector processors are discussed from the viewpoint of restructuring, optimization and choice of algorithms. In conclusion, the important concept of "concurrency within pipelined parallelism" is emphasized.

Evaluation of a new parallel numerical parameter optimization algorithm for a dynamical system

NASA Astrophysics Data System (ADS)

Duran, Ahmet; Tuncel, Mehmet

2016-10-01

It is important to have a scalable parallel numerical parameter optimization algorithm for a dynamical system used in financial applications where time limitation is crucial. We use Message Passing Interface parallel programming and present such a new parallel algorithm for parameter estimation. For example, we apply the algorithm to the asset flow differential equations that have been developed and analyzed since 1989 (see [3-6] and references contained therein). We achieved speed-up for some time series to run up to 512 cores (see [10]). Unlike [10], we consider more extensive financial market situations, for example, in presence of low volatility, high volatility and stock market price at a discount/premium to its net asset value with varying magnitude, in this work. Moreover, we evaluated the convergence of the model parameter vector, the nonlinear least squares error and maximum improvement factor to quantify the success of the optimization process depending on the number of initial parameter vectors.

Statistical Analysis of NAS Parallel Benchmarks and LINPACK Results

NASA Technical Reports Server (NTRS)

Meuer, Hans-Werner; Simon, Horst D.; Strohmeier, Erich; Lasinski, T. A. (Technical Monitor)

1994-01-01

In the last three years extensive performance data have been reported for parallel machines both based on the NAS Parallel Benchmarks, and on LINPACK. In this study we have used the reported benchmark results and performed a number of statistical experiments using factor, cluster, and regression analyses. In addition to the performance results of LINPACK and the eight NAS parallel benchmarks, we have also included peak performance of the machine, and the LINPACK n and n(sub 1/2) values. Some of the results and observations can be summarized as follows: 1) All benchmarks are strongly correlated with peak performance. 2) LINPACK and EP have each a unique signature. 3) The remaining NPB can grouped into three groups as follows: (CG and IS), (LU and SP), and (MG, FT, and BT). Hence three (or four with EP) benchmarks are sufficient to characterize the overall NPB performance. Our poster presentation will follow a standard poster format, and will present the data of our statistical analysis in detail.

The design and implementation of a parallel unstructured Euler solver using software primitives

NASA Technical Reports Server (NTRS)

Das, R.; Mavriplis, D. J.; Saltz, J.; Gupta, S.; Ponnusamy, R.

1992-01-01

This paper is concerned with the implementation of a three-dimensional unstructured grid Euler-solver on massively parallel distributed-memory computer architectures. The goal is to minimize solution time by achieving high computational rates with a numerically efficient algorithm. An unstructured multigrid algorithm with an edge-based data structure has been adopted, and a number of optimizations have been devised and implemented in order to accelerate the parallel communication rates. The implementation is carried out by creating a set of software tools, which provide an interface between the parallelization issues and the sequential code, while providing a basis for future automatic run-time compilation support. Large practical unstructured grid problems are solved on the Intel iPSC/860 hypercube and Intel Touchstone Delta machine. The quantitative effect of the various optimizations are demonstrated, and we show that the combined effect of these optimizations leads to roughly a factor of three performance improvement. The overall solution efficiency is compared with that obtained on the CRAY-YMP vector supercomputer.

The cost of conservative synchronization in parallel discrete event simulations

NASA Technical Reports Server (NTRS)

Nicol, David M.

1990-01-01

The performance of a synchronous conservative parallel discrete-event simulation protocol is analyzed. The class of simulation models considered is oriented around a physical domain and possesses a limited ability to predict future behavior. A stochastic model is used to show that as the volume of simulation activity in the model increases relative to a fixed architecture, the complexity of the average per-event overhead due to synchronization, event list manipulation, lookahead calculations, and processor idle time approach the complexity of the average per-event overhead of a serial simulation. The method is therefore within a constant factor of optimal. The analysis demonstrates that on large problems--those for which parallel processing is ideally suited--there is often enough parallel workload so that processors are not usually idle. The viability of the method is also demonstrated empirically, showing how good performance is achieved on large problems using a thirty-two node Intel iPSC/2 distributed memory multiprocessor.

Scaling Optimization of the SIESTA MHD Code

NASA Astrophysics Data System (ADS)

Seal, Sudip; Hirshman, Steven; Perumalla, Kalyan

2013-10-01

SIESTA is a parallel three-dimensional plasma equilibrium code capable of resolving magnetic islands at high spatial resolutions for toroidal plasmas. Originally designed to exploit small-scale parallelism, SIESTA has now been scaled to execute efficiently over several thousands of processors P. This scaling improvement was accomplished with minimal intrusion to the execution flow of the original version. First, the efficiency of the iterative solutions was improved by integrating the parallel tridiagonal block solver code BCYCLIC. Krylov-space generation in GMRES was then accelerated using a customized parallel matrix-vector multiplication algorithm. Novel parallel Hessian generation algorithms were integrated and memory access latencies were dramatically reduced through loop nest optimizations and data layout rearrangement. These optimizations sped up equilibria calculations by factors of 30-50. It is possible to compute solutions with granularity N/P near unity on extremely fine radial meshes (N > 1024 points). Grid separation in SIESTA, which manifests itself primarily in the resonant components of the pressure far from rational surfaces, is strongly suppressed by finer meshes. Large problem sizes of up to 300 K simultaneous non-linear coupled equations have been solved on the NERSC supercomputers. Work supported by U.S. DOE under Contract DE-AC05-00OR22725 with UT-Battelle, LLC.

A 2D MTF approach to evaluate and guide dynamic imaging developments.

PubMed

Chao, Tzu-Cheng; Chung, Hsiao-Wen; Hoge, W Scott; Madore, Bruno

2010-02-01

As the number and complexity of partially sampled dynamic imaging methods continue to increase, reliable strategies to evaluate performance may prove most useful. In the present work, an analytical framework to evaluate given reconstruction methods is presented. A perturbation algorithm allows the proposed evaluation scheme to perform robustly without requiring knowledge about the inner workings of the method being evaluated. A main output of the evaluation process consists of a two-dimensional modulation transfer function, an easy-to-interpret visual rendering of a method's ability to capture all combinations of spatial and temporal frequencies. Approaches to evaluate noise properties and artifact content at all spatial and temporal frequencies are also proposed. One fully sampled phantom and three fully sampled cardiac cine datasets were subsampled (R = 4 and 8) and reconstructed with the different methods tested here. A hybrid method, which combines the main advantageous features observed in our assessments, was proposed and tested in a cardiac cine application, with acceleration factors of 3.5 and 6.3 (skip factors of 4 and 8, respectively). This approach combines features from methods such as k-t sensitivity encoding, unaliasing by Fourier encoding the overlaps in the temporal dimension-sensitivity encoding, generalized autocalibrating partially parallel acquisition, sensitivity profiles from an array of coils for encoding and reconstruction in parallel, self, hybrid referencing with unaliasing by Fourier encoding the overlaps in the temporal dimension and generalized autocalibrating partially parallel acquisition, and generalized autocalibrating partially parallel acquisition-enhanced sensitivity maps for sensitivity encoding reconstructions.

Parallel spatial direct numerical simulations on the Intel iPSC/860 hypercube

NASA Technical Reports Server (NTRS)

Joslin, Ronald D.; Zubair, Mohammad

1993-01-01

The implementation and performance of a parallel spatial direct numerical simulation (PSDNS) approach on the Intel iPSC/860 hypercube is documented. The direct numerical simulation approach is used to compute spatially evolving disturbances associated with the laminar-to-turbulent transition in boundary-layer flows. The feasibility of using the PSDNS on the hypercube to perform transition studies is examined. The results indicate that the direct numerical simulation approach can effectively be parallelized on a distributed-memory parallel machine. By increasing the number of processors nearly ideal linear speedups are achieved with nonoptimized routines; slower than linear speedups are achieved with optimized (machine dependent library) routines. This slower than linear speedup results because the Fast Fourier Transform (FFT) routine dominates the computational cost and because the routine indicates less than ideal speedups. However with the machine-dependent routines the total computational cost decreases by a factor of 4 to 5 compared with standard FORTRAN routines. The computational cost increases linearly with spanwise wall-normal and streamwise grid refinements. The hypercube with 32 processors was estimated to require approximately twice the amount of Cray supercomputer single processor time to complete a comparable simulation; however it is estimated that a subgrid-scale model which reduces the required number of grid points and becomes a large-eddy simulation (PSLES) would reduce the computational cost and memory requirements by a factor of 10 over the PSDNS. This PSLES implementation would enable transition simulations on the hypercube at a reasonable computational cost.

Field characterization of elastic properties across a fault zone reactivated by fluid injection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jeanne, Pierre; Guglielmi, Yves; Rutqvist, Jonny

In this paper, we studied the elastic properties of a fault zone intersecting the Opalinus Clay formation at 300 m depth in the Mont Terri Underground Research Laboratory (Switzerland). Four controlled water injection experiments were performed in borehole straddle intervals set at successive locations across the fault zone. A three-component displacement sensor, which allowed capturing the borehole wall movements during injection, was used to estimate the elastic properties of representative locations across the fault zone, from the host rock to the damage zone to the fault core. Young's moduli were estimated by both an analytical approach and numerical finite differencemore » modeling. Results show a decrease in Young's modulus from the host rock to the damage zone by a factor of 5 and from the damage zone to the fault core by a factor of 2. In the host rock, our results are in reasonable agreement with laboratory data showing a strong elastic anisotropy characterized by the direction of the plane of isotropy parallel to the laminar structure of the shale formation. In the fault zone, strong rotations of the direction of anisotropy can be observed. Finally, the plane of isotropy can be oriented either parallel to bedding (when few discontinuities are present), parallel to the direction of the main fracture family intersecting the zone, and possibly oriented parallel or perpendicular to the fractures critically oriented for shear reactivation (when repeated past rupture along this plane has created a zone).« less

Field characterization of elastic properties across a fault zone reactivated by fluid injection

DOE PAGES

Jeanne, Pierre; Guglielmi, Yves; Rutqvist, Jonny; ...

2017-08-12

In this paper, we studied the elastic properties of a fault zone intersecting the Opalinus Clay formation at 300 m depth in the Mont Terri Underground Research Laboratory (Switzerland). Four controlled water injection experiments were performed in borehole straddle intervals set at successive locations across the fault zone. A three-component displacement sensor, which allowed capturing the borehole wall movements during injection, was used to estimate the elastic properties of representative locations across the fault zone, from the host rock to the damage zone to the fault core. Young's moduli were estimated by both an analytical approach and numerical finite differencemore » modeling. Results show a decrease in Young's modulus from the host rock to the damage zone by a factor of 5 and from the damage zone to the fault core by a factor of 2. In the host rock, our results are in reasonable agreement with laboratory data showing a strong elastic anisotropy characterized by the direction of the plane of isotropy parallel to the laminar structure of the shale formation. In the fault zone, strong rotations of the direction of anisotropy can be observed. Finally, the plane of isotropy can be oriented either parallel to bedding (when few discontinuities are present), parallel to the direction of the main fracture family intersecting the zone, and possibly oriented parallel or perpendicular to the fractures critically oriented for shear reactivation (when repeated past rupture along this plane has created a zone).« less

Monte Carlo calculations of electron beam quality conversion factors for several ion chamber types.

PubMed

Muir, B R; Rogers, D W O

2014-11-01

To provide a comprehensive investigation of electron beam reference dosimetry using Monte Carlo simulations of the response of 10 plane-parallel and 18 cylindrical ion chamber types. Specific emphasis is placed on the determination of the optimal shift of the chambers' effective point of measurement (EPOM) and beam quality conversion factors. The EGSnrc system is used for calculations of the absorbed dose to gas in ion chamber models and the absorbed dose to water as a function of depth in a water phantom on which cobalt-60 and several electron beam source models are incident. The optimal EPOM shifts of the ion chambers are determined by comparing calculations of R50 converted from I50 (calculated using ion chamber simulations in phantom) to R50 calculated using simulations of the absorbed dose to water vs depth in water. Beam quality conversion factors are determined as the calculated ratio of the absorbed dose to water to the absorbed dose to air in the ion chamber at the reference depth in a cobalt-60 beam to that in electron beams. For most plane-parallel chambers, the optimal EPOM shift is inside of the active cavity but different from the shift determined with water-equivalent scaling of the front window of the chamber. These optimal shifts for plane-parallel chambers also reduce the scatter of beam quality conversion factors, kQ, as a function of R50. The optimal shift of cylindrical chambers is found to be less than the 0.5 rcav recommended by current dosimetry protocols. In most cases, the values of the optimal shift are close to 0.3 rcav. Values of kecal are calculated and compared to those from the TG-51 protocol and differences are explained using accurate individual correction factors for a subset of ion chambers investigated. High-precision fits to beam quality conversion factors normalized to unity in a beam with R50 = 7.5 cm (kQ (')) are provided. These factors avoid the use of gradient correction factors as used in the TG-51 protocol although a chamber dependent optimal shift in the EPOM is required when using plane-parallel chambers while no shift is needed with cylindrical chambers. The sensitivity of these results to parameters used to model the ion chambers is discussed and the uncertainty related to the practical use of these results is evaluated. These results will prove useful as electron beam reference dosimetry protocols are being updated. The analysis of this work indicates that cylindrical ion chambers may be appropriate for use in low-energy electron beams but measurements are required to characterize their use in these beams.

IL-17s adopt a cystine knot fold: structure and activity of a novel cytokine, IL-17F, and implications for receptor binding

PubMed Central

Hymowitz, Sarah G.; Filvaroff, Ellen H.; Yin, JianPing; Lee, James; Cai, Liping; Risser, Philip; Maruoka, Miko; Mao, Weiguang; Foster, Jessica; Kelley, Robert F.; Pan, Guohua; Gurney, Austin L.; de Vos, Abraham M.; Starovasnik, Melissa A.

2001-01-01

The proinflammatory cytokine interleukin 17 (IL-17) is the founding member of a family of secreted proteins that elicit potent cellular responses. We report a novel human IL-17 homolog, IL-17F, and show that it is expressed by activated T cells, can stimulate production of other cytokines such as IL-6, IL-8 and granulocyte colony-stimulating factor, and can regulate cartilage matrix turnover. Unexpectedly, the crystal structure of IL-17F reveals that IL-17 family members adopt a monomer fold typical of cystine knot growth factors, despite lacking the disulfide responsible for defining the canonical ‘knot’ structure. IL-17F dimerizes in a parallel manner like neurotrophins, and features an unusually large cavity on its surface. Remarkably, this cavity is located in precisely the same position where nerve growth factor binds its high affinity receptor, TrkA, suggesting further parallels between IL-17s and neurotrophins with respect to receptor recognition. PMID:11574464

GPU accelerated fuzzy connected image segmentation by using CUDA.

PubMed

Zhuge, Ying; Cao, Yong; Miller, Robert W

2009-01-01

Image segmentation techniques using fuzzy connectedness principles have shown their effectiveness in segmenting a variety of objects in several large applications in recent years. However, one problem of these algorithms has been their excessive computational requirements when processing large image datasets. Nowadays commodity graphics hardware provides high parallel computing power. In this paper, we present a parallel fuzzy connected image segmentation algorithm on Nvidia's Compute Unified Device Architecture (CUDA) platform for segmenting large medical image data sets. Our experiments based on three data sets with small, medium, and large data size demonstrate the efficiency of the parallel algorithm, which achieves a speed-up factor of 7.2x, 7.3x, and 14.4x, correspondingly, for the three data sets over the sequential implementation of fuzzy connected image segmentation algorithm on CPU.

Numerical study of the existence criterion for the reversed shear Alfven eigenmode in the presence of a parallel equilibrium current

NASA Astrophysics Data System (ADS)

Shahzad, M.; Rizvi, H.; Panwar, A.; Ryu, C. M.

2017-06-01

We have re-visited the existence criterion of the reverse shear Alfven eigenmodes (RSAEs) in the presence of the parallel equilibrium current by numerically solving the eigenvalue equation using a fast eigenvalue solver code KAES. The parallel equilibrium current can bring in the kink effect and is known to be strongly unfavorable for the RSAE. We have numerically estimated the critical value of the toroidicity factor Qtor in a circular tokamak plasma, above which RSAEs can exist, and compared it to the analytical one. The difference between the numerical and analytical critical values is small for low frequency RSAEs, but it increases as the frequency of the mode increases, becoming greater for higher poloidal harmonic modes.

Multitasking the three-dimensional transport code TORT on CRAY platforms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Azmy, Y.Y.; Barnett, D.A.; Burre, C.A.

1996-04-01

The multitasking options in the three-dimensional neutral particle transport code TORT originally implemented for Cray`s CTSS operating system are revived and extended to run on Cray Y/MP and C90 computers using the UNICOS operating system. These include two coarse-grained domain decompositions; across octants, and across directions within an octant, termed Octant Parallel (OP), and Direction Parallel (DP), respectively. Parallel performance of the DP is significantly enhanced by increasing the task grain size and reducing load imbalance via dynamic scheduling of the discrete angles among the participating tasks. Substantial Wall Clock speedup factors, approaching 4.5 using 8 tasks, have been measuredmore » in a time-sharing environment, and generally depend on the test problem specifications, number of tasks, and machine loading during execution.« less

Epitaxial relationship of semipolar s-plane (1101) InN grown on r-plane sapphire

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dimitrakopulos, G. P.

2012-07-02

The heteroepitaxy of semipolar s-plane (1101) InN grown directly on r-plane sapphire by plasma-assisted molecular beam epitaxy is studied using transmission electron microscopy techniques. The epitaxial relationship is determined to be (1101){sub InN} Parallel-To (1102){sub Al{sub 2O{sub 3}}}, [1120]{sub InN} Parallel-To [2021]{sub Al{sub 2O{sub 3}}}, [1102]{sub InN}{approx} Parallel-To [0221]{sub Al{sub 2O{sub 3}}}, which ensures a 0.7% misfit along [1120]{sub InN}. Two orientation variants are identified. Proposed geometrical factors contributing to the high density of basal stacking faults, partial dislocations, and sphalerite cubic pockets include the misfit accommodation and reduction, as well as the accommodation of lattice twist.

A GPU-paralleled implementation of an enhanced face recognition algorithm

NASA Astrophysics Data System (ADS)

Chen, Hao; Liu, Xiyang; Shao, Shuai; Zan, Jiguo

2013-03-01

Face recognition algorithm based on compressed sensing and sparse representation is hotly argued in these years. The scheme of this algorithm increases recognition rate as well as anti-noise capability. However, the computational cost is expensive and has become a main restricting factor for real world applications. In this paper, we introduce a GPU-accelerated hybrid variant of face recognition algorithm named parallel face recognition algorithm (pFRA). We describe here how to carry out parallel optimization design to take full advantage of many-core structure of a GPU. The pFRA is tested and compared with several other implementations under different data sample size. Finally, Our pFRA, implemented with NVIDIA GPU and Computer Unified Device Architecture (CUDA) programming model, achieves a significant speedup over the traditional CPU implementations.

Neuronal calcineurin transcriptional targets parallel changes observed in Alzheimer disease brain.

PubMed

Hopp, Sarah C; Bihlmeyer, Nathan A; Corradi, John P; Vanderburg, Charles; Cacace, Angela M; Das, Sudeshna; Clark, Timothy W; Betensky, Rebecca A; Hyman, Bradley T; Hudry, Eloise

2018-05-28

Synaptic dysfunction and loss are core pathological features in Alzheimer disease (AD). In the vicinity of amyloid-β plaques in animal models, synaptic toxicity occurs and is associated with chronic activation of the phosphatase calcineurin (CN). Indeed, pharmacological inhibition of CN blocks amyloid-β synaptotoxicity. We therefore hypothesized that CN-mediated transcriptional changes may contribute to AD neuropathology and tested this by examining the impact of CN overexpression on neuronal gene expression in vivo. We found dramatic transcriptional downregulation, especially of synaptic mRNAs, in neurons chronically exposed to CN activation. Importantly, the transcriptional profile parallels the changes in human AD tissue. Bioinformatics analyses suggest that both nuclear factor of activated T cells (NFAT) and numerous microRNAs may all be impacted by CN, and parallel findings are observed in AD. These data and analyses support the hypothesis that at least part of the synaptic failure characterizing AD may result from aberrant CN activation leading to downregulation of synaptic genes, potentially via activation of specific transcription factors and expression of repressive microRNAs. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Parallel 3D Multi-Stage Simulation of a Turbofan Engine

NASA Technical Reports Server (NTRS)

Turner, Mark G.; Topp, David A.

1998-01-01

A 3D multistage simulation of each component of a modern GE Turbofan engine has been made. An axisymmetric view of this engine is presented in the document. This includes a fan, booster rig, high pressure compressor rig, high pressure turbine rig and a low pressure turbine rig. In the near future, all components will be run in a single calculation for a solution of 49 blade rows. The simulation exploits the use of parallel computations by using two levels of parallelism. Each blade row is run in parallel and each blade row grid is decomposed into several domains and run in parallel. 20 processors are used for the 4 blade row analysis. The average passage approach developed by John Adamczyk at NASA Lewis Research Center has been further developed and parallelized. This is APNASA Version A. It is a Navier-Stokes solver using a 4-stage explicit Runge-Kutta time marching scheme with variable time steps and residual smoothing for convergence acceleration. It has an implicit K-E turbulence model which uses an ADI solver to factor the matrix. Between 50 and 100 explicit time steps are solved before a blade row body force is calculated and exchanged with the other blade rows. This outer iteration has been coined a "flip." Efforts have been made to make the solver linearly scaleable with the number of blade rows. Enough flips are run (between 50 and 200) so the solution in the entire machine is not changing. The K-E equations are generally solved every other explicit time step. One of the key requirements in the development of the parallel code was to make the parallel solution exactly (bit for bit) match the serial solution. This has helped isolate many small parallel bugs and guarantee the parallelization was done correctly. The domain decomposition is done only in the axial direction since the number of points axially is much larger than the other two directions. This code uses MPI for message passing. The parallel speed up of the solver portion (no 1/0 or body force calculation) for a grid which has 227 points axially.

Chemical evolution of Macondo crude oil during laboratory degradation as characterized by fluorescence EEMs and hydrocarbon composition.

PubMed

Zhou, Zhengzhen; Liu, Zhanfei; Guo, Laodong

2013-01-15

The fluorescence EEM technique, PARAFAC modeling, and hydrocarbon composition were used to characterize oil components and to examine the chemical evolution and degradation pathways of Macondo crude oil under controlled laboratory conditions. Three major fluorescent oil components were identified, with Ex/Em maxima at 226/328, 262/315, and 244/366 nm, respectively. An average degradation half-life of ∼20 d was determined for the oil components based on fluorescence EEM and hydrocarbon composition measurements, showing a dynamic chemical evolution and transformation of the oil during degradation. Dispersants appeared to change the chemical characteristics of oil, to shift the fluorescence EEM spectra, and to enhance the degradation of low-molecular-weight hydrocarbons. Photochemical degradation played a dominant role in the transformation of oil components, likely an effective degradation pathway of oil in the water column. Results from laboratory experiments should facilitate the interpretation of field-data and provide insights for understanding the fate and transport of oil components in the Gulf of Mexico. Copyright © 2012 Elsevier Ltd. All rights reserved.

An optimization approach for fitting canonical tensor decompositions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dunlavy, Daniel M.; Acar, Evrim; Kolda, Tamara Gibson

Tensor decompositions are higher-order analogues of matrix decompositions and have proven to be powerful tools for data analysis. In particular, we are interested in the canonical tensor decomposition, otherwise known as the CANDECOMP/PARAFAC decomposition (CPD), which expresses a tensor as the sum of component rank-one tensors and is used in a multitude of applications such as chemometrics, signal processing, neuroscience, and web analysis. The task of computing the CPD, however, can be difficult. The typical approach is based on alternating least squares (ALS) optimization, which can be remarkably fast but is not very accurate. Previously, nonlinear least squares (NLS) methodsmore » have also been recommended; existing NLS methods are accurate but slow. In this paper, we propose the use of gradient-based optimization methods. We discuss the mathematical calculation of the derivatives and further show that they can be computed efficiently, at the same cost as one iteration of ALS. Computational experiments demonstrate that the gradient-based optimization methods are much more accurate than ALS and orders of magnitude faster than NLS.« less

Tensor-based Dictionary Learning for Spectral CT Reconstruction

PubMed Central

Zhang, Yanbo; Wang, Ge

2016-01-01

Spectral computed tomography (CT) produces an energy-discriminative attenuation map of an object, extending a conventional image volume with a spectral dimension. In spectral CT, an image can be sparsely represented in each of multiple energy channels, and are highly correlated among energy channels. According to this characteristics, we propose a tensor-based dictionary learning method for spectral CT reconstruction. In our method, tensor patches are extracted from an image tensor, which is reconstructed using the filtered backprojection (FBP), to form a training dataset. With the Candecomp/Parafac decomposition, a tensor-based dictionary is trained, in which each atom is a rank-one tensor. Then, the trained dictionary is used to sparsely represent image tensor patches during an iterative reconstruction process, and the alternating minimization scheme is adapted for optimization. The effectiveness of our proposed method is validated with both numerically simulated and real preclinical mouse datasets. The results demonstrate that the proposed tensor-based method generally produces superior image quality, and leads to more accurate material decomposition than the currently popular popular methods. PMID:27541628

The Struggle to Prevent and Evaluate: Application of Population Attributable Risk and Preventive Fraction to Suicide Prevention Research

ERIC Educational Resources Information Center

Krysinska, Karolina; Martin, Graham

2009-01-01

Population attributable risk (PAR) estimates have been used in suicide research to evaluate the impact of psychosocial and socioeconomic risk factors, including affective disorders, traumatic life events, and unemployment. A parallel concept of preventive fraction (PF), allowing for estimation of the impact of protective factors and effectiveness…

Scalable non-negative matrix tri-factorization.

PubMed

Čopar, Andrej; Žitnik, Marinka; Zupan, Blaž

2017-01-01

Matrix factorization is a well established pattern discovery tool that has seen numerous applications in biomedical data analytics, such as gene expression co-clustering, patient stratification, and gene-disease association mining. Matrix factorization learns a latent data model that takes a data matrix and transforms it into a latent feature space enabling generalization, noise removal and feature discovery. However, factorization algorithms are numerically intensive, and hence there is a pressing challenge to scale current algorithms to work with large datasets. Our focus in this paper is matrix tri-factorization, a popular method that is not limited by the assumption of standard matrix factorization about data residing in one latent space. Matrix tri-factorization solves this by inferring a separate latent space for each dimension in a data matrix, and a latent mapping of interactions between the inferred spaces, making the approach particularly suitable for biomedical data mining. We developed a block-wise approach for latent factor learning in matrix tri-factorization. The approach partitions a data matrix into disjoint submatrices that are treated independently and fed into a parallel factorization system. An appealing property of the proposed approach is its mathematical equivalence with serial matrix tri-factorization. In a study on large biomedical datasets we show that our approach scales well on multi-processor and multi-GPU architectures. On a four-GPU system we demonstrate that our approach can be more than 100-times faster than its single-processor counterpart. A general approach for scaling non-negative matrix tri-factorization is proposed. The approach is especially useful parallel matrix factorization implemented in a multi-GPU environment. We expect the new approach will be useful in emerging procedures for latent factor analysis, notably for data integration, where many large data matrices need to be collectively factorized.

Techniques and Tools for Performance Tuning of Parallel and Distributed Scientific Applications

NASA Technical Reports Server (NTRS)

Sarukkai, Sekhar R.; VanderWijngaart, Rob F.; Castagnera, Karen (Technical Monitor)

1994-01-01

Performance degradation in scientific computing on parallel and distributed computer systems can be caused by numerous factors. In this half-day tutorial we explain what are the important methodological issues involved in obtaining codes that have good performance potential. Then we discuss what are the possible obstacles in realizing that potential on contemporary hardware platforms, and give an overview of the software tools currently available for identifying the performance bottlenecks. Finally, some realistic examples are used to illustrate the actual use and utility of such tools.

Radiative transfer in spherical shell atmospheres. 2: Asymmetric phase functions

NASA Technical Reports Server (NTRS)

Kattawar, G. W.; Adams, C. N.

1977-01-01

The effects are investigated of sphericity on the radiation reflected from a planet with a homogeneous, conservative scattering atmosphere of optical thicknesses of 0.25 and 1.0. A Henyey-Greenstein phase function with asymmetry factors of 0.5 and 0.7 is considered. Significant differences were found when these results were compared with the plane-parallel calculations. Also large violations of the reciprocity theorem, which is only true for plane-parallel calculations, were noted. Results are presented for the radiance versus height distributions as a function of planetary phase angle.

Parallel replica dynamics with a heterogeneous distribution of barriers: Application to n-hexadecane pyrolysis

NASA Astrophysics Data System (ADS)

Kum, Oyeon; Dickson, Brad M.; Stuart, Steven J.; Uberuaga, Blas P.; Voter, Arthur F.

2004-11-01

Parallel replica dynamics simulation methods appropriate for the simulation of chemical reactions in molecular systems with many conformational degrees of freedom have been developed and applied to study the microsecond-scale pyrolysis of n-hexadecane in the temperature range of 2100-2500 K. The algorithm uses a transition detection scheme that is based on molecular topology, rather than energetic basins. This algorithm allows efficient parallelization of small systems even when using more processors than particles (in contrast to more traditional parallelization algorithms), and even when there are frequent conformational transitions (in contrast to previous implementations of the parallel replica algorithm). The parallel efficiency for pyrolysis initiation reactions was over 90% on 61 processors for this 50-atom system. The parallel replica dynamics technique results in reaction probabilities that are statistically indistinguishable from those obtained from direct molecular dynamics, under conditions where both are feasible, but allows simulations at temperatures as much as 1000 K lower than direct molecular dynamics simulations. The rate of initiation displayed Arrhenius behavior over the entire temperature range, with an activation energy and frequency factor of Ea=79.7 kcal/mol and log A/s-1=14.8, respectively, in reasonable agreement with experiment and empirical kinetic models. Several interesting unimolecular reaction mechanisms were observed in simulations of the chain propagation reactions above 2000 K, which are not included in most coarse-grained kinetic models. More studies are needed in order to determine whether these mechanisms are experimentally relevant, or specific to the potential energy surface used.

Research on parallel algorithm for sequential pattern mining

NASA Astrophysics Data System (ADS)

Zhou, Lijuan; Qin, Bai; Wang, Yu; Hao, Zhongxiao

2008-03-01

Sequential pattern mining is the mining of frequent sequences related to time or other orders from the sequence database. Its initial motivation is to discover the laws of customer purchasing in a time section by finding the frequent sequences. In recent years, sequential pattern mining has become an important direction of data mining, and its application field has not been confined to the business database and has extended to new data sources such as Web and advanced science fields such as DNA analysis. The data of sequential pattern mining has characteristics as follows: mass data amount and distributed storage. Most existing sequential pattern mining algorithms haven't considered the above-mentioned characteristics synthetically. According to the traits mentioned above and combining the parallel theory, this paper puts forward a new distributed parallel algorithm SPP(Sequential Pattern Parallel). The algorithm abides by the principal of pattern reduction and utilizes the divide-and-conquer strategy for parallelization. The first parallel task is to construct frequent item sets applying frequent concept and search space partition theory and the second task is to structure frequent sequences using the depth-first search method at each processor. The algorithm only needs to access the database twice and doesn't generate the candidated sequences, which abates the access time and improves the mining efficiency. Based on the random data generation procedure and different information structure designed, this paper simulated the SPP algorithm in a concrete parallel environment and implemented the AprioriAll algorithm. The experiments demonstrate that compared with AprioriAll, the SPP algorithm had excellent speedup factor and efficiency.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alred, Erik J.; Scheele, Emily G.; Berhanu, Workalemahu M.

Recent experiments indicate a connection between the structure of amyloid aggregates and their cytotoxicity as related to neurodegenerative diseases. Of particular interest is the Iowa Mutant, which causes early-onset of Alzheimer's disease. While wild-type Amyloid β-peptides form only parallel beta-sheet aggregates, the mutant also forms meta-stable antiparallel beta sheets. Since these structural variations may cause the difference in the pathological effects of the two Aβ-peptides, we have studied in silico the relative stability of the wild type and Iowa mutant in both parallel and antiparallel forms. We compare regular molecular dynamics simulations with such where the viscosity of the samplesmore » is reduced, which, we show, leads to higher sampling efficiency. By analyzing and comparing these four sets of all-atom molecular dynamics simulations, we probe the role of the various factors that could lead to the structural differences. Our analysis indicates that the parallel forms of both wild type and Iowa mutant aggregates are stable, while the antiparallel aggregates are meta-stable for the Iowa mutant and not stable for the wild type. The differences result from the direct alignment of hydrophobic interactions in the in-register parallel oligomers, making them more stable than the antiparallel aggregates. The slightly higher thermodynamic stability of the Iowa mutant fibril-like oligomers in its parallel organization over that in antiparallel form is supported by previous experimental measurements showing slow inter-conversion of antiparallel aggregates into parallel ones. Knowledge of the mechanism that selects between parallel and antiparallel conformations and determines their relative stability may open new avenues for the development of therapies targeting familial forms of early-onset Alzheimer's disease.« less

Hyperswitch communication network

NASA Technical Reports Server (NTRS)

Peterson, J.; Pniel, M.; Upchurch, E.

1991-01-01

The Hyperswitch Communication Network (HCN) is a large scale parallel computer prototype being developed at JPL. Commercial versions of the HCN computer are planned. The HCN computer being designed is a message passing multiple instruction multiple data (MIMD) computer, and offers many advantages in price-performance ratio, reliability and availability, and manufacturing over traditional uniprocessors and bus based multiprocessors. The design of the HCN operating system is a uniquely flexible environment that combines both parallel processing and distributed processing. This programming paradigm can achieve a balance among the following competing factors: performance in processing and communications, user friendliness, and fault tolerance. The prototype is being designed to accommodate a maximum of 64 state of the art microprocessors. The HCN is classified as a distributed supercomputer. The HCN system is described, and the performance/cost analysis and other competing factors within the system design are reviewed.

Parallel solution of closely coupled systems

NASA Technical Reports Server (NTRS)

Utku, S.; Salama, M.

1986-01-01

The odd-even permutation and associated unitary transformations for reordering the matrix coefficient A are employed as means of breaking the strong seriality which is characteristic of closely coupled systems. The nested dissection technique is also reviewed, and the equivalence between reordering A and dissecting its network is established. The effect of transforming A with odd-even permutation on its topology and the topology of its Cholesky factors is discussed. This leads to the construction of directed graphs showing the computational steps required for factoring A, their precedence relationships and their sequential and concurrent assignment to the available processors. Expressions for the speed-up and efficiency of using N processors in parallel relative to the sequential use of a single processor are derived from the directed graph. Similar expressions are also derived when the number of available processors is fewer than required.

NRMC - A GPU code for N-Reverse Monte Carlo modeling of fluids in confined media

NASA Astrophysics Data System (ADS)

Sánchez-Gil, Vicente; Noya, Eva G.; Lomba, Enrique

2017-08-01

NRMC is a parallel code for performing N-Reverse Monte Carlo modeling of fluids in confined media [V. Sánchez-Gil, E.G. Noya, E. Lomba, J. Chem. Phys. 140 (2014) 024504]. This method is an extension of the usual Reverse Monte Carlo method to obtain structural models of confined fluids compatible with experimental diffraction patterns, specifically designed to overcome the problem of slow diffusion that can appear under conditions of tight confinement. Most of the computational time in N-Reverse Monte Carlo modeling is spent in the evaluation of the structure factor for each trial configuration, a calculation that can be easily parallelized. Implementation of the structure factor evaluation in NVIDIA® CUDA so that the code can be run on GPUs leads to a speed up of up to two orders of magnitude.

Multiway analysis methods applied to the fluorescence excitation-emission dataset for the simultaneous quantification of valsartan and amlodipine in tablets

NASA Astrophysics Data System (ADS)

Dinç, Erdal; Ertekin, Zehra Ceren; Büker, Eda

2017-09-01

In this study, excitation-emission matrix datasets, which have strong overlapping bands, were processed by using four different chemometric calibration algorithms consisting of parallel factor analysis, Tucker3, three-way partial least squares and unfolded partial least squares for the simultaneous quantitative estimation of valsartan and amlodipine besylate in tablets. In analyses, preliminary separation step was not used before the application of parallel factor analysis Tucker3, three-way partial least squares and unfolded partial least squares approaches for the analysis of the related drug substances in samples. Three-way excitation-emission matrix data array was obtained by concatenating excitation-emission matrices of the calibration set, validation set, and commercial tablet samples. The excitation-emission matrix data array was used to get parallel factor analysis, Tucker3, three-way partial least squares and unfolded partial least squares calibrations and to predict the amounts of valsartan and amlodipine besylate in samples. For all the methods, calibration and prediction of valsartan and amlodipine besylate were performed in the working concentration ranges of 0.25-4.50 μg/mL. The validity and the performance of all the proposed methods were checked by using the validation parameters. From the analysis results, it was concluded that the described two-way and three-way algorithmic methods were very useful for the simultaneous quantitative resolution and routine analysis of the related drug substances in marketed samples.

Assessment of destabilizing factor for automatic control systems in propulsion systems of mechatronic and maritime transport objects

NASA Astrophysics Data System (ADS)

Zhilenkov, A. A.; Kapitonov, A. A.

2017-10-01

It is known that many of today’s ships and vessels have a shaft generator as a part of their power plants. Modern automatic control systems used in the world’s fleet do not enable their shaft generators to operate in parallel with the main diesel generators for long-term sustenance of the total load of the ship network. On the other hand, according to our calculations and experiments, a shaft generator operated in parallel with the main power plant helps save at least 10% of fuel while making the power system of the ship more efficient, reliable, and eco-friendly. The fouling and corrosion of the propeller as well as the weather conditions of navigation affect its modulus of resistance. It changes the free component of the transient process of shaft generator stress frequency changes in transient processes. While the shaft generator and the diesel generator of the ship power plant are paralleled, there emerges an angle between their EMF. This results in equalizing currents generated between them. The altering torque in the drive-shaft line—propeller system causes torsional fluctuations of the ship shaft line. To compensate for the effect of destabilizing factors and torsional fluctuations of the shaft line on the dynamic characteristics of the transient process that alters the RPM of the main engine, sliding mode controls can be used. To synthesize such a control, one has to evaluate the effect of destabilizing factors.

Catchment tracers reveal discharge, recharge and sources of groundwater-borne pollutants in a novel lake modelling approach

NASA Astrophysics Data System (ADS)

Kristensen, Emil; Madsen-Østerbye, Mikkel; Massicotte, Philippe; Pedersen, Ole; Markager, Stiig; Kragh, Theis

2018-02-01

Groundwater-borne contaminants such as nutrients, dissolved organic carbon (DOC), coloured dissolved organic matter (CDOM) and pesticides can have an impact the biological quality of lakes. The sources of pollutants can, however, be difficult to identify due to high heterogeneity in groundwater flow patterns. This study presents a novel approach for fast hydrological surveys of small groundwater-fed lakes using multiple groundwater-borne tracers. Water samples were collected from the lake and temporary groundwater wells, installed every 50 m within a distance of 5-45 m to the shore, were analysed for tracer concentrations of CDOM, DOC, total dissolved nitrogen (TDN, groundwater only), total nitrogen (TN, lake only), total dissolved phosphorus (TDP, groundwater only), total phosphorus (TP, lake only), δ18O / δ16O isotope ratios and fluorescent dissolved organic matter (FDOM) components derived from parallel factor analysis (PARAFAC). The isolation of groundwater recharge areas was based on δ18O measurements and areas with a high groundwater recharge rate were identified using a microbially influenced FDOM component. Groundwater discharge sites and the fractions of water delivered from the individual sites were isolated with the Community Assembly via Trait Selection model (CATS). The CATS model utilized tracer measurements of TDP, TDN, DOC and CDOM from the groundwater samples and related these to the tracer measurements of TN, TP, DOC and CDOM in the lake. A direct comparison between the lake and the inflowing groundwater was possible as degradation rates of the tracers in the lake were taken into account and related to a range of water retention times (WRTs) of the lake (0.25-3.5 years in 0.25-year increments). These estimations showed that WRTs above 2 years required a higher tracer concentration of inflowing water than found in any of the groundwater wells around the lake. From the estimations of inflowing tracer concentration, the CATS model isolated groundwater discharge sites located mainly in the eastern part of the lake with a single site in the southern part. Observations from the eastern part of the lake revealed an impermeable clay layer that promotes discharge during heavy precipitation events, which would otherwise be difficult to identify using traditional hydrological methods. In comparison to the lake concentrations, high tracer concentrations in the southern part showed that only a smaller fraction of water could originate from this area, thereby confirming the model results. A Euclidean cluster analysis of δ18O isotopes identified recharge sites corresponding to areas adjacent to drainage channels, and a cluster analysis of the microbially influenced FDOM component C4 further identified five sites that showed a tendency towards high groundwater recharge rate. In conclusion, it was found that this methodology can be applied to smaller lakes within a short time frame, providing useful information regarding the WRT of the lake and more importantly the groundwater recharge and discharge sites around the lake. Thus, it is a tool for specific management of the catchment.

The biogeochemical fingerprint of urbanization: increasing carbon quality in Maine headwater streams

NASA Astrophysics Data System (ADS)

Parr, T.; Cronan, C.; Ohno, T.; Simon, K. S.

2012-12-01

Conversion of land cover to urban use is an accelerating global phenomenon. Physical landscape change manifests as the replacement of forests, grasslands, and wetlands with buildings, novel vegetation, and infrastructure. This physical change also brings with it a change in the human management of the landscape for aesthetic and practical purposes (i.e. road salt applications). Although urbanization's effects on inorganic nutrients have been well studied, far less is known about the interactive influences of urbanization and urban landscape management practices on dissolved organic matter (DOM), a key energy source essential to ecosystem function. We examined the seasonal abundance and composition of DOM, nutrients, and common cations in 116 small streams along a gradient of urbanization (0-60% total watershed imperviousness, TWI), in Maine, USA. Dissolved organic carbon concentration ranged from 0.5 to 20 ppm with no clear relationship to watershed urbanization. In contrast, DOM composition, quantified with specific ultra violet absorbance at 254 nm (SUVA_{254}), fluorescence indices, and parallel factor analysis (PARAFAC), changed considerably with increasing urbanization. SUVA_{254} indicated a shift from higher molecular weight humic compounds (SUVA_{254}>4) toward lower molecular weight compounds (SUVA_{254}<2.5) with increasing urbanization. Fluorescence indices (Fluorescence Index, Humification Index, and α:β) indicated DOM source shifted from allochthonous sources (e.g. plant and soil carbon) toward autochthonously derived compounds (e.g. derivatives of in-stream algal and microbial production). Humic acid-like compounds decreased from 40% to 10% of the fluorescent DOM pool, while fluorescence of more labile compounds increased from 10 to 25% with increasing urbanization. Laboratory bioassays of DOM degradation rates showed that increasing urbanization doubled the bioavailability of DOM. Ratios of DOC:DON declined from 20-50 at TWI<8% to <20 above 8% TWI. Changes in the DOM pool were unrelated to inorganic nutrient concentrations, but were related to base cation concentrations. Concentrations of base cations (Ca^{2+}, Mg^{2+}, K^+, Na^+) increased 3-100 fold with increasing impervious cover. The stoichiometric relationships among Na^+, Cl^- and other base cations suggest road salt application may mobilize base cations into streams draining urbanized watersheds. There was a strong negative relationship between humic-like DOM components and Ca^{2+} (R^2=0.3-0.5, p<0.01) across streams. Bottle incubations of ^1+ and ^{2+} base cation salts over a natural range (0 - 6 mM) showed that ^{2+} cations (esp. Ca^{2+}) preferentially flocculated the humic fraction of DOM (R^2=0.6-0.9, p<0.01). These results indicate that the carbon composition change observed with urbanization in Maine may be controlled by multiple concurrent processes linked to the creation and maintenance of urban landscapes. Our data suggest that a key biogeochemical consequence of urbanization may be an increase in abundance of labile carbon which may have important consequences for ecosystem function in urban systems. This process may be driven by a combination of altered landscape C sources reducing terrestrial C inputs, enhancement of in-stream C production, and base cation enrichment that removing terrestrial C from the aquatic DOM pool in urban landscapes.

Three-dimensional photoacoustic tomography based on graphics-processing-unit-accelerated finite element method.

PubMed

Peng, Kuan; He, Ling; Zhu, Ziqiang; Tang, Jingtian; Xiao, Jiaying

2013-12-01

Compared with commonly used analytical reconstruction methods, the frequency-domain finite element method (FEM) based approach has proven to be an accurate and flexible algorithm for photoacoustic tomography. However, the FEM-based algorithm is computationally demanding, especially for three-dimensional cases. To enhance the algorithm's efficiency, in this work a parallel computational strategy is implemented in the framework of the FEM-based reconstruction algorithm using a graphic-processing-unit parallel frame named the "compute unified device architecture." A series of simulation experiments is carried out to test the accuracy and accelerating effect of the improved method. The results obtained indicate that the parallel calculation does not change the accuracy of the reconstruction algorithm, while its computational cost is significantly reduced by a factor of 38.9 with a GTX 580 graphics card using the improved method.

Highly accelerated cardiac cine parallel MRI using low-rank matrix completion and partial separability model

NASA Astrophysics Data System (ADS)

Lyu, Jingyuan; Nakarmi, Ukash; Zhang, Chaoyi; Ying, Leslie

2016-05-01

This paper presents a new approach to highly accelerated dynamic parallel MRI using low rank matrix completion, partial separability (PS) model. In data acquisition, k-space data is moderately randomly undersampled at the center kspace navigator locations, but highly undersampled at the outer k-space for each temporal frame. In reconstruction, the navigator data is reconstructed from undersampled data using structured low-rank matrix completion. After all the unacquired navigator data is estimated, the partial separable model is used to obtain partial k-t data. Then the parallel imaging method is used to acquire the entire dynamic image series from highly undersampled data. The proposed method has shown to achieve high quality reconstructions with reduction factors up to 31, and temporal resolution of 29ms, when the conventional PS method fails.

What Factors Predict Middle School Students Sign Up for Washington's College Bound Scholarship Program? A Mixed Methods Evaluation. Working Paper 175

ERIC Educational Resources Information Center

Goldhaber, Dan; Long, Mark C.; Person, Ann E.; Rooklyn, Jordan

2017-01-01

We investigate factors influencing student sign-ups for Washington State's College Bound Scholarship (CBS) program. We find a substantial share of eligible middle school students fail to sign the CBS, forgoing college financial aid. Student characteristics associated with signing the scholarship parallel characteristics of low-income students who…

Beam quality corrections for parallel-plate ion chambers in electron reference dosimetry

NASA Astrophysics Data System (ADS)

Zink, K.; Wulff, J.

2012-04-01

Current dosimetry protocols (AAPM, IAEA, IPEM, DIN) recommend parallel-plate ionization chambers for dose measurements in clinical electron beams. This study presents detailed Monte Carlo simulations of beam quality correction factors for four different types of parallel-plate chambers: NACP-02, Markus, Advanced Markus and Roos. These chambers differ in constructive details which should have notable impact on the resulting perturbation corrections, hence on the beam quality corrections. The results reveal deviations to the recommended beam quality corrections given in the IAEA TRS-398 protocol in the range of 0%-2% depending on energy and chamber type. For well-guarded chambers, these deviations could be traced back to a non-unity and energy-dependent wall perturbation correction. In the case of the guardless Markus chamber, a nearly energy-independent beam quality correction is resulting as the effects of wall and cavity perturbation compensate each other. For this chamber, the deviations to the recommended values are the largest and may exceed 2%. From calculations of type-B uncertainties including effects due to uncertainties of the underlying cross-sectional data as well as uncertainties due to the chamber material composition and chamber geometry, the overall uncertainty of calculated beam quality correction factors was estimated to be <0.7%. Due to different chamber positioning recommendations given in the national and international dosimetry protocols, an additional uncertainty in the range of 0.2%-0.6% is present. According to the IAEA TRS-398 protocol, the uncertainty in clinical electron dosimetry using parallel-plate ion chambers is 1.7%. This study may help to reduce this uncertainty significantly.

Dura-arachnoid lesions produced by 22 gauge Quincke spinal needles during a lumbar puncture

PubMed Central

Reina, M; Lopez, A; Badorrey, V; De Andres, J A; Martin, S

2004-01-01

Aims: The dural and arachnoid hole caused by lumbar puncture needles is a determining factor in triggering headaches. The aim of this study is to assess the dimensions and morphological features of the dura mater and arachnoids when they are punctured by a 22 gauge Quincke needle having its bevel either in the parallel or in the transverse position. Methods: Fifty punctures were made with 22 gauge Quincke needles in the dural sac of four fresh cadavers using an "in vitro" model especially designed for this purpose. The punctures were performed by needles with bevels parallel or perpendicular to the spinal axis and studied under scanning electron microscopy. Results: Thirty five of the 50 punctures done by Quincke needles (19 in the external surface and 16 in the internal) were used for evaluation. When the needle was inserted with its bevel parallel to the axis of the dural sac (17 of 35), the size of the dura-arachnoid lesion was 0.032 mm2 in the epidural surface and 0.037 mm2 in the subarachnoid surface of the dural sac. When the needle's bevel was perpendicular to the axis (18 of 35) the measurement of the lesion size was 0.042 mm2 for the external surface and 0.033 mm2 for the internal. There were no statistical significant differences between these results. Conclusions: It is believed that the reported lower frequency of postdural puncture headache when the needle is inserted parallel to the cord axis should be explained by some other factors besides the size of the dura-arachnoid injury. PMID:15146008

Dura-arachnoid lesions produced by 22 gauge Quincke spinal needles during a lumbar puncture.

PubMed

Reina, M A; López, A; Badorrey, V; De Andrés, J A; Martín, S

2004-06-01

The dural and arachnoid hole caused by lumbar puncture needles is a determining factor in triggering headaches. The aim of this study is to assess the dimensions and morphological features of the dura mater and arachnoids when they are punctured by a 22 gauge Quincke needle having its bevel either in the parallel or in the transverse position. Fifty punctures were made with 22 gauge Quincke needles in the dural sac of four fresh cadavers using an "in vitro" model especially designed for this purpose. The punctures were performed by needles with bevels parallel or perpendicular to the spinal axis and studied under scanning electron microscopy. Thirty five of the 50 punctures done by Quincke needles (19 in the external surface and 16 in the internal) were used for evaluation. When the needle was inserted with its bevel parallel to the axis of the dural sac (17 of 35), the size of the dura-arachnoid lesion was 0.032 mm(2) in the epidural surface and 0.037 mm(2) in the subarachnoid surface of the dural sac. When the needle's bevel was perpendicular to the axis (18 of 35) the measurement of the lesion size was 0.042 mm(2) for the external surface and 0.033 mm(2) for the internal. There were no statistical significant differences between these results. It is believed that the reported lower frequency of postdural puncture headache when the needle is inserted parallel to the cord axis should be explained by some other factors besides the size of the dura-arachnoid injury.

FaCSI: A block parallel preconditioner for fluid-structure interaction in hemodynamics

NASA Astrophysics Data System (ADS)

Deparis, Simone; Forti, Davide; Grandperrin, Gwenol; Quarteroni, Alfio

2016-12-01

Modeling Fluid-Structure Interaction (FSI) in the vascular system is mandatory to reliably compute mechanical indicators in vessels undergoing large deformations. In order to cope with the computational complexity of the coupled 3D FSI problem after discretizations in space and time, a parallel solution is often mandatory. In this paper we propose a new block parallel preconditioner for the coupled linearized FSI system obtained after space and time discretization. We name it FaCSI to indicate that it exploits the Factorized form of the linearized FSI matrix, the use of static Condensation to formally eliminate the interface degrees of freedom of the fluid equations, and the use of a SIMPLE preconditioner for saddle-point problems. FaCSI is built upon a block Gauss-Seidel factorization of the FSI Jacobian matrix and it uses ad-hoc preconditioners for each physical component of the coupled problem, namely the fluid, the structure and the geometry. In the fluid subproblem, after operating static condensation of the interface fluid variables, we use a SIMPLE preconditioner on the reduced fluid matrix. Moreover, to efficiently deal with a large number of processes, FaCSI exploits efficient single field preconditioners, e.g., based on domain decomposition or the multigrid method. We measure the parallel performances of FaCSI on a benchmark cylindrical geometry and on a problem of physiological interest, namely the blood flow through a patient-specific femoropopliteal bypass. We analyze the dependence of the number of linear solver iterations on the cores count (scalability of the preconditioner) and on the mesh size (optimality).

VINE-A NUMERICAL CODE FOR SIMULATING ASTROPHYSICAL SYSTEMS USING PARTICLES. II. IMPLEMENTATION AND PERFORMANCE CHARACTERISTICS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, Andrew F.; Wetzstein, M.; Naab, T.

2009-10-01

We continue our presentation of VINE. In this paper, we begin with a description of relevant architectural properties of the serial and shared memory parallel computers on which VINE is intended to run, and describe their influences on the design of the code itself. We continue with a detailed description of a number of optimizations made to the layout of the particle data in memory and to our implementation of a binary tree used to access that data for use in gravitational force calculations and searches for smoothed particle hydrodynamics (SPH) neighbor particles. We describe the modifications to the codemore » necessary to obtain forces efficiently from special purpose 'GRAPE' hardware, the interfaces required to allow transparent substitution of those forces in the code instead of those obtained from the tree, and the modifications necessary to use both tree and GRAPE together as a fused GRAPE/tree combination. We conclude with an extensive series of performance tests, which demonstrate that the code can be run efficiently and without modification in serial on small workstations or in parallel using the OpenMP compiler directives on large-scale, shared memory parallel machines. We analyze the effects of the code optimizations and estimate that they improve its overall performance by more than an order of magnitude over that obtained by many other tree codes. Scaled parallel performance of the gravity and SPH calculations, together the most costly components of most simulations, is nearly linear up to at least 120 processors on moderate sized test problems using the Origin 3000 architecture, and to the maximum machine sizes available to us on several other architectures. At similar accuracy, performance of VINE, used in GRAPE-tree mode, is approximately a factor 2 slower than that of VINE, used in host-only mode. Further optimizations of the GRAPE/host communications could improve the speed by as much as a factor of 3, but have not yet been implemented in VINE. Finally, we find that although parallel performance on small problems may reach a plateau beyond which more processors bring no additional speedup, performance never decreases, a factor important for running large simulations on many processors with individual time steps, where only a small fraction of the total particles require updates at any given moment.« less

Widespread parallel population adaptation to climate variation across a radiation: implications for adaptation to climate change.

PubMed

Thorpe, Roger S; Barlow, Axel; Malhotra, Anita; Surget-Groba, Yann

2015-03-01

Global warming will impact species in a number of ways, and it is important to know the extent to which natural populations can adapt to anthropogenic climate change by natural selection. Parallel microevolution within separate species can demonstrate natural selection, but several studies of homoplasy have not yet revealed examples of widespread parallel evolution in a generic radiation. Taking into account primary phylogeographic divisions, we investigate numerous quantitative traits (size, shape, scalation, colour pattern and hue) in anole radiations from the mountainous Lesser Antillean islands. Adaptation to climatic differences can lead to very pronounced differences between spatially close populations with all studied traits showing some evidence of parallel evolution. Traits from shape, scalation, pattern and hue (particularly the latter) show widespread evolutionary parallels within these species in response to altitudinal climate variation greater than extreme anthropogenic climate change predicted for 2080. This gives strong evidence of the ability to adapt to climate variation by natural selection throughout this radiation. As anoles can evolve very rapidly, it suggests anthropogenic climate change is likely to be less of a conservation threat than other factors, such as habitat loss and invasive species, in this, Lesser Antillean, biodiversity hot spot. © 2015 John Wiley & Sons Ltd.

An eight-channel T/R head coil for parallel transmit MRI at 3T using ultra-low output impedance amplifiers

PubMed Central

Moody, Katherine Lynn; Hollingsworth, Neal A.; Zhao, Feng; Nielsen, Jon-Fredrik; Noll, Douglas C.; Wright, Steven M.; McDougall, Mary Preston

2014-01-01

Parallel transmit is an emerging technology to address the technical challenges associated with MR imaging at high field strengths. When developing arrays for parallel transmit systems, one of the primary factors to be considered is the mechanism to manage coupling and create independently operating channels. Recent work has demonstrated the use of amplifiers to provide some or all of the channel-to-channel isolation, reducing the need for on-coil decoupling networks in a manner analogous to the use of isolation preamplifiers with receive coils. This paper discusses an eight-channel transmit/receive head array for use with an ultra-low output impedance (ULOI) parallel transmit system. The ULOI amplifiers eliminated the need for a complex lumped element network to decouple the eight rung array. The design and construction details of the array are discussed in addition to the measurement considerations required for appropriately characterizing an array when using ULOI amplifiers. B1 maps and coupling matrices are used to verify the performance of the system. PMID:25072190

An eight-channel T/R head coil for parallel transmit MRI at 3T using ultra-low output impedance amplifiers

NASA Astrophysics Data System (ADS)

Moody, Katherine Lynn; Hollingsworth, Neal A.; Zhao, Feng; Nielsen, Jon-Fredrik; Noll, Douglas C.; Wright, Steven M.; McDougall, Mary Preston

2014-09-01

Parallel transmit is an emerging technology to address the technical challenges associated with MR imaging at high field strengths. When developing arrays for parallel transmit systems, one of the primary factors to be considered is the mechanism to manage coupling and create independently operating channels. Recent work has demonstrated the use of amplifiers to provide some or all of the channel-to-channel isolation, reducing the need for on-coil decoupling networks in a manner analogous to the use of isolation preamplifiers with receive coils. This paper discusses an eight-channel transmit/receive head array for use with an ultra-low output impedance (ULOI) parallel transmit system. The ULOI amplifiers eliminated the need for a complex lumped element network to decouple the eight-rung array. The design and construction details of the array are discussed in addition to the measurement considerations required for appropriately characterizing an array when using ULOI amplifiers. B1 maps and coupling matrices are used to verify the performance of the system.

Implementation and analysis of a Navier-Stokes algorithm on parallel computers

NASA Technical Reports Server (NTRS)

Fatoohi, Raad A.; Grosch, Chester E.

1988-01-01

The results of the implementation of a Navier-Stokes algorithm on three parallel/vector computers are presented. The object of this research is to determine how well, or poorly, a single numerical algorithm would map onto three different architectures. The algorithm is a compact difference scheme for the solution of the incompressible, two-dimensional, time-dependent Navier-Stokes equations. The computers were chosen so as to encompass a variety of architectures. They are the following: the MPP, an SIMD machine with 16K bit serial processors; Flex/32, an MIMD machine with 20 processors; and Cray/2. The implementation of the algorithm is discussed in relation to these architectures and measures of the performance on each machine are given. The basic comparison is among SIMD instruction parallelism on the MPP, MIMD process parallelism on the Flex/32, and vectorization of a serial code on the Cray/2. Simple performance models are used to describe the performance. These models highlight the bottlenecks and limiting factors for this algorithm on these architectures. Finally, conclusions are presented.

An Integrated Approach to Locality-Conscious Processor Allocation and Scheduling of Mixed-Parallel Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vydyanathan, Naga; Krishnamoorthy, Sriram; Sabin, Gerald M.

2009-08-01

Complex parallel applications can often be modeled as directed acyclic graphs of coarse-grained application-tasks with dependences. These applications exhibit both task- and data-parallelism, and combining these two (also called mixedparallelism), has been shown to be an effective model for their execution. In this paper, we present an algorithm to compute the appropriate mix of task- and data-parallelism required to minimize the parallel completion time (makespan) of these applications. In other words, our algorithm determines the set of tasks that should be run concurrently and the number of processors to be allocated to each task. The processor allocation and scheduling decisionsmore » are made in an integrated manner and are based on several factors such as the structure of the taskgraph, the runtime estimates and scalability characteristics of the tasks and the inter-task data communication volumes. A locality conscious scheduling strategy is used to improve inter-task data reuse. Evaluation through simulations and actual executions of task graphs derived from real applications as well as synthetic graphs shows that our algorithm consistently generates schedules with lower makespan as compared to CPR and CPA, two previously proposed scheduling algorithms. Our algorithm also produces schedules that have lower makespan than pure taskand data-parallel schedules. For task graphs with known optimal schedules or lower bounds on the makespan, our algorithm generates schedules that are closer to the optima than other scheduling approaches.« less

A highly efficient multi-core algorithm for clustering extremely large datasets

PubMed Central

2010-01-01

Background In recent years, the demand for computational power in computational biology has increased due to rapidly growing data sets from microarray and other high-throughput technologies. This demand is likely to increase. Standard algorithms for analyzing data, such as cluster algorithms, need to be parallelized for fast processing. Unfortunately, most approaches for parallelizing algorithms largely rely on network communication protocols connecting and requiring multiple computers. One answer to this problem is to utilize the intrinsic capabilities in current multi-core hardware to distribute the tasks among the different cores of one computer. Results We introduce a multi-core parallelization of the k-means and k-modes cluster algorithms based on the design principles of transactional memory for clustering gene expression microarray type data and categorial SNP data. Our new shared memory parallel algorithms show to be highly efficient. We demonstrate their computational power and show their utility in cluster stability and sensitivity analysis employing repeated runs with slightly changed parameters. Computation speed of our Java based algorithm was increased by a factor of 10 for large data sets while preserving computational accuracy compared to single-core implementations and a recently published network based parallelization. Conclusions Most desktop computers and even notebooks provide at least dual-core processors. Our multi-core algorithms show that using modern algorithmic concepts, parallelization makes it possible to perform even such laborious tasks as cluster sensitivity and cluster number estimation on the laboratory computer. PMID:20370922

Shor's quantum factoring algorithm on a photonic chip.

PubMed

Politi, Alberto; Matthews, Jonathan C F; O'Brien, Jeremy L

2009-09-04

Shor's quantum factoring algorithm finds the prime factors of a large number exponentially faster than any other known method, a task that lies at the heart of modern information security, particularly on the Internet. This algorithm requires a quantum computer, a device that harnesses the massive parallelism afforded by quantum superposition and entanglement of quantum bits (or qubits). We report the demonstration of a compiled version of Shor's algorithm on an integrated waveguide silica-on-silicon chip that guides four single-photon qubits through the computation to factor 15.

Knee Joint Kinetics in Relation to Commonly Prescribed Squat Loads and Depths

PubMed Central

Cotter, Joshua A.; Chaudhari, Ait M.; Jamison, Steve T.; Devor, Steven T.

2014-01-01

Controversy exists regarding the safety and performance benefits of performing the squat exercise to depths beyond 90° of knee flexion. Our aim was to compare the net peak external knee flexion moments (pEKFM) experienced over typical ranges of squat loads and depths. Sixteen recreationally trained males (n = 16; 22.7 ± 1.1 yrs; 85.4 ± 2.1 kg; 177.6 ± 0.96 cm; mean ± SEM) with no previous lower limb surgeries or other orthopedic issues and at least one year of consistent resistance training experience while utilizing the squat exercise performed single repetition squat trials in a random order at squat depths of above parallel, parallel, and below parallel. Less than one week before testing, one repetition maximum (1RM) values were found for each squat depth. Subsequent testing required subjects to perform squats at the three depths with three different loads: unloaded, 50% 1RM, and 85% 1RM (nine total trials). Force platform and kinematic data were collected to calculate pEKFM. To assess differences among loads and depths, a two-factor (load and depth) repeated-measures ANOVA with significance set at the P < 0.05 level was used. Squat 1RM significantly decreased 13.6% from the above parallel to parallel squat and another 3.6% from the parallel to the below parallel squat (P < 0.05). Net peak external knee flexion moments significantly increased as both squat depth and load were increased (P ≤ 0.02). Slopes of pEKFM were greater from unloaded to 50% 1RM than when progressing from 50% to 85% 1RM (P < 0.001). The results suggest that that typical decreases in squat loads used with increasing depths are not enough to offset increases in pEKFM. PMID:23085977

Stability of Iowa mutant and wild type Aβ-peptide aggregates

NASA Astrophysics Data System (ADS)

Alred, Erik J.; Scheele, Emily G.; Berhanu, Workalemahu M.; Hansmann, Ulrich H. E.

2014-11-01

Recent experiments indicate a connection between the structure of amyloid aggregates and their cytotoxicity as related to neurodegenerative diseases. Of particular interest is the Iowa Mutant, which causes early-onset of Alzheimer's disease. While wild-type Amyloid β-peptides form only parallel beta-sheet aggregates, the mutant also forms meta-stable antiparallel beta sheets. Since these structural variations may cause the difference in the pathological effects of the two Aβ-peptides, we have studied in silico the relative stability of the wild type and Iowa mutant in both parallel and antiparallel forms. We compare regular molecular dynamics simulations with such where the viscosity of the samples is reduced, which, we show, leads to higher sampling efficiency. By analyzing and comparing these four sets of all-atom molecular dynamics simulations, we probe the role of the various factors that could lead to the structural differences. Our analysis indicates that the parallel forms of both wild type and Iowa mutant aggregates are stable, while the antiparallel aggregates are meta-stable for the Iowa mutant and not stable for the wild type. The differences result from the direct alignment of hydrophobic interactions in the in-register parallel oligomers, making them more stable than the antiparallel aggregates. The slightly higher thermodynamic stability of the Iowa mutant fibril-like oligomers in its parallel organization over that in antiparallel form is supported by previous experimental measurements showing slow inter-conversion of antiparallel aggregates into parallel ones. Knowledge of the mechanism that selects between parallel and antiparallel conformations and determines their relative stability may open new avenues for the development of therapies targeting familial forms of early-onset Alzheimer's disease.

Effect of Ground Patterns Size on FM-Band Cross-Talks between Two Parallel Signal Traces of Printed Circuit Boards for Vehicles

NASA Astrophysics Data System (ADS)

Iida, Michihira; Maeno, Tsuyoshi; Fujiwara, Osamu

It is well known that electromagnetic disturbances in vehicle-mounted radios are mainly caused by conducted noise currents flowing through wiring-harnesses from vehicle-mounted printed circuit boards (PCBs) with common ground patterns containing slits. To suppress the noise currents outflow from PCBs of these kinds, we previously measured noise currents outflow from simple two-layer PCBs having two parallel signal traces and different ground patterns with/without slits to reveal that making slits with open ends on the ground patterns in parallel with the traces can reduce the conducted noise currents. In the present study, with FDTD simulation, we investigated reduction effects of ground patterns size on the FM-band cross-talk noise levels between two parallel signal traces, by using four types of simple PCB models having different ground patterns formed in different numbers but containing the same planar dimension slits parallel to the traces, in addition to two types of PCB models with different ground patterns divided into two parts parallel to the traces. As a result, we found that the cross-talk noise currents for the above six types of PCBs decrease by 6.9-8.5dB compared to the PCB which has a plain ground with no slits. From this study, we got the finding that the contributing factor for the above mentioned cross-talk reduction relies on the reduction of mutual inductance between the two parallel traces. In addition, in case of this study, it is interesting to note that the noise currents outflow from PCBs can rather be suppressed when the size of the return ground of each signal trace is small.

Applying the Extended Parallel Process Model to workplace safety messages.

PubMed

Basil, Michael; Basil, Debra; Deshpande, Sameer; Lavack, Anne M

2013-01-01

The extended parallel process model (EPPM) proposes fear appeals are most effective when they combine threat and efficacy. Three studies conducted in the workplace safety context examine the use of various EPPM factors and their effects, especially multiplicative effects. Study 1 was a content analysis examining the use of EPPM factors in actual workplace safety messages. Study 2 experimentally tested these messages with 212 construction trainees. Study 3 replicated this experiment with 1,802 men across four English-speaking countries-Australia, Canada, the United Kingdom, and the United States. The results of these three studies (1) demonstrate the inconsistent use of EPPM components in real-world work safety communications, (2) support the necessity of self-efficacy for the effective use of threat, (3) show a multiplicative effect where communication effectiveness is maximized when all model components are present (severity, susceptibility, and efficacy), and (4) validate these findings with gory appeals across four English-speaking countries.

Efficient relaxed-Jacobi smoothers for multigrid on parallel computers

NASA Astrophysics Data System (ADS)

Yang, Xiang; Mittal, Rajat

2017-03-01

In this Technical Note, we present a family of Jacobi-based multigrid smoothers suitable for the solution of discretized elliptic equations. These smoothers are based on the idea of scheduled-relaxation Jacobi proposed recently by Yang & Mittal (2014) [18] and employ two or three successive relaxed Jacobi iterations with relaxation factors derived so as to maximize the smoothing property of these iterations. The performance of these new smoothers measured in terms of convergence acceleration and computational workload, is assessed for multi-domain implementations typical of parallelized solvers, and compared to the lexicographic point Gauss-Seidel smoother. The tests include the geometric multigrid method on structured grids as well as the algebraic grid method on unstructured grids. The tests demonstrate that unlike Gauss-Seidel, the convergence of these Jacobi-based smoothers is unaffected by domain decomposition, and furthermore, they outperform the lexicographic Gauss-Seidel by factors that increase with domain partition count.

Matrix Factorizations at Scale: a Comparison of Scientific Data Analytics in Spark and C+MPI Using Three Case Studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gittens, Alex; Devarakonda, Aditya; Racah, Evan

We explore the trade-offs of performing linear algebra using Apache Spark, compared to traditional C and MPI implementations on HPC platforms. Spark is designed for data analytics on cluster computing platforms with access to local disks and is optimized for data-parallel tasks. We examine three widely-used and important matrix factorizations: NMF (for physical plausibility), PCA (for its ubiquity) and CX (for data interpretability). We apply these methods to 1.6TB particle physics, 2.2TB and 16TB climate modeling and 1.1TB bioimaging data. The data matrices are tall-and-skinny which enable the algorithms to map conveniently into Spark’s data parallel model. We perform scalingmore » experiments on up to 1600 Cray XC40 nodes, describe the sources of slowdowns, and provide tuning guidance to obtain high performance.« less

FastQuery: A Parallel Indexing System for Scientific Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chou, Jerry; Wu, Kesheng; Prabhat,

2011-07-29

Modern scientific datasets present numerous data management and analysis challenges. State-of-the- art index and query technologies such as FastBit can significantly improve accesses to these datasets by augmenting the user data with indexes and other secondary information. However, a challenge is that the indexes assume the relational data model but the scientific data generally follows the array data model. To match the two data models, we design a generic mapping mechanism and implement an efficient input and output interface for reading and writing the data and their corresponding indexes. To take advantage of the emerging many-core architectures, we also developmore » a parallel strategy for indexing using threading technology. This approach complements our on-going MPI-based parallelization efforts. We demonstrate the flexibility of our software by applying it to two of the most commonly used scientific data formats, HDF5 and NetCDF. We present two case studies using data from a particle accelerator model and a global climate model. We also conducted a detailed performance study using these scientific datasets. The results show that FastQuery speeds up the query time by a factor of 2.5x to 50x, and it reduces the indexing time by a factor of 16 on 24 cores.« less

Parallel Expansions of Sox Transcription Factor Group B Predating the Diversifications of the Arthropods and Jawed Vertebrates

PubMed Central

Zhong, Lei; Wang, Dengqiang; Gan, Xiaoni; Yang, Tong; He, Shunping

2011-01-01

Group B of the Sox transcription factor family is crucial in embryo development in the insects and vertebrates. Sox group B, unlike the other Sox groups, has an unusually enlarged functional repertoire in insects, but the timing and mechanism of the expansion of this group were unclear. We collected and analyzed data for Sox group B from 36 species of 12 phyla representing the major metazoan clades, with an emphasis on arthropods, to reconstruct the evolutionary history of SoxB in bilaterians and to date the expansion of Sox group B in insects. We found that the genome of the bilaterian last common ancestor probably contained one SoxB1 and one SoxB2 gene only and that tandem duplications of SoxB2 occurred before the arthropod diversification but after the arthropod-nematode divergence, resulting in the basal repertoire of Sox group B in diverse arthropod lineages. The arthropod Sox group B repertoire expanded differently from the vertebrate repertoire, which resulted from genome duplications. The parallel increases in the Sox group B repertoires of the arthropods and vertebrates are consistent with the parallel increases in the complexity and diversification of these two important organismal groups. PMID:21305035

Multiple grid problems on concurrent-processing computers

NASA Technical Reports Server (NTRS)

Eberhardt, D. S.; Baganoff, D.

1986-01-01

Three computer codes were studied which make use of concurrent processing computer architectures in computational fluid dynamics (CFD). The three parallel codes were tested on a two processor multiple-instruction/multiple-data (MIMD) facility at NASA Ames Research Center, and are suggested for efficient parallel computations. The first code is a well-known program which makes use of the Beam and Warming, implicit, approximate factored algorithm. This study demonstrates the parallelism found in a well-known scheme and it achieved speedups exceeding 1.9 on the two processor MIMD test facility. The second code studied made use of an embedded grid scheme which is used to solve problems having complex geometries. The particular application for this study considered an airfoil/flap geometry in an incompressible flow. The scheme eliminates some of the inherent difficulties found in adapting approximate factorization techniques onto MIMD machines and allows the use of chaotic relaxation and asynchronous iteration techniques. The third code studied is an application of overset grids to a supersonic blunt body problem. The code addresses the difficulties encountered when using embedded grids on a compressible, and therefore nonlinear, problem. The complex numerical boundary system associated with overset grids is discussed and several boundary schemes are suggested. A boundary scheme based on the method of characteristics achieved the best results.

Unstable Resonator Optical Parametric Oscillator Based on Quasi-Phase-Matched RbTiOAsO(4).

PubMed

Hansson, G; Karlsson, H; Laurell, F

2001-10-20

We demonstrate improved signal and idler-beam quality of a 3-mm-aperture quasi-phase-matched RbTiOAsO(4) optical parametric oscillator through use of a confocal unstable resonator as compared with a plane-parallel resonator. Both oscillators were singly resonant, and the periodically poled RbTiOAsO(4) crystal generated a signal at 1.56 mum and an idler at 3.33 mum when pumped at 1.064 mum. We compared the beam quality produced by the 1.2-magnification confocal unstable resonator with the beam quality produced by the plane-parallel resonator by measuring the signal and the idler beam M(2) value. We also investigated the effect of pump-beam intensity distribution by comparing the result of a Gaussian and a top-hat intensity profile pump beam. We generated a signal beam of M(2) approximately 7 and an idler beam of M(2) approximately 2.5 through use of an unstable resonator and a Gaussian intensity profile pump beam. This corresponds to an increase of a factor of approximately 2 in beam quality for the signal and a factor of 3 for the idler, compared with the beam quality of the plane-parallel resonator optical parametric oscillator.

DOE Office of Scientific and Technical Information (OSTI.GOV)

D'Azevedo, Eduardo; Abbott, Stephen; Koskela, Tuomas

The XGC fusion gyrokinetic code combines state-of-the-art, portable computational and algorithmic technologies to enable complicated multiscale simulations of turbulence and transport dynamics in ITER edge plasma on the largest US open-science computer, the CRAY XK7 Titan, at its maximal heterogeneous capability, which have not been possible before due to a factor of over 10 shortage in the time-to-solution for less than 5 days of wall-clock time for one physics case. Frontier techniques such as nested OpenMP parallelism, adaptive parallel I/O, staging I/O and data reduction using dynamic and asynchronous applications interactions, dynamic repartitioning.

Molecular solid-state inverter-converter system

NASA Technical Reports Server (NTRS)

Birchenough, A. G.

1973-01-01

A modular approach for aerospace electrical systems has been developed, using lightweight high efficiency pulse width modulation techniques. With the modular approach, a required system is obtained by paralleling modules. The modular system includes the inverters and converters, a paralleling system, and an automatic control and fault-sensing protection system with a visual annunciator. The output is 150 V dc, or a low distortion three phase sine wave at 120 V, 400 Hz. Input power is unregulated 56 V dc. Each module is rated 2.5 kW or 3.6 kVA at 0.7 power factor.

Neoclassical theory inside transport barriers in tokamaks

NASA Astrophysics Data System (ADS)

Shaing, K. C.; Hsu, C. T.

2012-02-01

Inside the transport barriers in tokamaks, ion energy losses sometimes are smaller than the value predicted by the standard neoclassical theory. This improvement can be understood in terms of the orbit squeezing theory in addition to the sonic poloidal E ×B Mach number Up,m that pushes the tips of the trapped particles to the higher energy. In general, Up,m also includes the poloidal component of the parallel mass flow speed. These physics mechanisms are the corner stones for the transition theory of the low confinement mode (L-mode) to the high confinement mode (H-mode) in tokamaks. Here, detailed transport fluxes in the banana regime are presented using the parallel viscous forces calculated earlier. It is found, as expected, that effects of orbit squeezing and the sonic Up,m reduce the ion heat conductivity. The former reduces it by a factor of |S|3/2 and the later by a factor of R(Up ,m2)exp(-Up ,m2) with R(Up ,m2), a rational function. Here, S is the orbit squeezing factor.

New Method of Calculating a Multiplication by using the Generalized Bernstein-Vazirani Algorithm

NASA Astrophysics Data System (ADS)

Nagata, Koji; Nakamura, Tadao; Geurdes, Han; Batle, Josep; Abdalla, Soliman; Farouk, Ahmed

2018-06-01

We present a new method of more speedily calculating a multiplication by using the generalized Bernstein-Vazirani algorithm and many parallel quantum systems. Given the set of real values a1,a2,a3,\\ldots ,aN and a function g:bf {R}→ {0,1}, we shall determine the following values g(a1),g(a2),g(a3),\\ldots , g(aN) simultaneously. The speed of determining the values is shown to outperform the classical case by a factor of N. Next, we consider it as a number in binary representation; M 1 = ( g( a 1), g( a 2), g( a 3),…, g( a N )). By using M parallel quantum systems, we have M numbers in binary representation, simultaneously. The speed of obtaining the M numbers is shown to outperform the classical case by a factor of M. Finally, we calculate the product; M1× M2× \\cdots × MM. The speed of obtaining the product is shown to outperform the classical case by a factor of N × M.

A multi-platform evaluation of the randomized CX low-rank matrix factorization in Spark

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gittens, Alex; Kottalam, Jey; Yang, Jiyan

We investigate the performance and scalability of the randomized CX low-rank matrix factorization and demonstrate its applicability through the analysis of a 1TB mass spectrometry imaging (MSI) dataset, using Apache Spark on an Amazon EC2 cluster, a Cray XC40 system, and an experimental Cray cluster. We implemented this factorization both as a parallelized C implementation with hand-tuned optimizations and in Scala using the Apache Spark high-level cluster computing framework. We obtained consistent performance across the three platforms: using Spark we were able to process the 1TB size dataset in under 30 minutes with 960 cores on all systems, with themore » fastest times obtained on the experimental Cray cluster. In comparison, the C implementation was 21X faster on the Amazon EC2 system, due to careful cache optimizations, bandwidth-friendly access of matrices and vector computation using SIMD units. We report these results and their implications on the hardware and software issues arising in supporting data-centric workloads in parallel and distributed environments.« less

Comparison of the IAEA TRS-398 and AAPM TG-51 absorbed dose to water protocols in the dosimetry of high-energy photon and electron beams

NASA Astrophysics Data System (ADS)

Saiful Huq, M.; Andreo, Pedro; Song, Haijun

2001-11-01

The International Atomic Energy Agency (IAEA TRS-398) and the American Association of Physicists in Medicine (AAPM TG-51) have published new protocols for the calibration of radiotherapy beams. These protocols are based on the use of an ionization chamber calibrated in terms of absorbed dose to water in a standards laboratory's reference quality beam. This paper compares the recommendations of the two protocols in two ways: (i) by analysing in detail the differences in the basic data included in the two protocols for photon and electron beam dosimetry and (ii) by performing measurements in clinical photon and electron beams and determining the absorbed dose to water following the recommendations of the two protocols. Measurements were made with two Farmer-type ionization chambers and three plane-parallel ionization chamber types in 6, 18 and 25 MV photon beams and 6, 8, 10, 12, 15 and 18 MeV electron beams. The Farmer-type chambers used were NE 2571 and PTW 30001, and the plane-parallel chambers were a Scanditronix-Wellhöfer NACP and Roos, and a PTW Markus chamber. For photon beams, the measured ratios TG-51/TRS-398 of absorbed dose to water Dw ranged between 0.997 and 1.001, with a mean value of 0.999. The ratios for the beam quality correction factors kQ were found to agree to within about +/-0.2% despite significant differences in the method of beam quality specification for photon beams and in the basic data entering into kQ. For electron beams, dose measurements were made using direct ND,w calibrations of cylindrical and plane-parallel chambers in a 60Co gamma-ray beam, as well as cross-calibrations of plane-parallel chambers in a high-energy electron beam. For the direct ND,w calibrations the ratios TG-51/TRS-398 of absorbed dose to water Dw were found to lie between 0.994 and 1.018 depending upon the chamber and electron beam energy used, with mean values of 0.996, 1.006, and 1.017, respectively, for the cylindrical, well-guarded and not well-guarded plane-parallel chambers. The Dw ratios measured for the cross-calibration procedures varied between 0.993 and 0.997. The largest discrepancies for electron beams between the two protocols arise from the use of different data for the perturbation correction factors pwall and pdis of cylindrical and plane-parallel chambers, all in 60Co. A detailed analysis of the reasons for the discrepancies is made which includes comparing the formalisms, correction factors and the quantities in the two protocols.

What Multilevel Parallel Programs do when you are not Watching: A Performance Analysis Case Study Comparing MPI/OpenMP, MLP, and Nested OpenMP

NASA Technical Reports Server (NTRS)

Jost, Gabriele; Labarta, Jesus; Gimenez, Judit

2004-01-01

With the current trend in parallel computer architectures towards clusters of shared memory symmetric multi-processors, parallel programming techniques have evolved that support parallelism beyond a single level. When comparing the performance of applications based on different programming paradigms, it is important to differentiate between the influence of the programming model itself and other factors, such as implementation specific behavior of the operating system (OS) or architectural issues. Rewriting-a large scientific application in order to employ a new programming paradigms is usually a time consuming and error prone task. Before embarking on such an endeavor it is important to determine that there is really a gain that would not be possible with the current implementation. A detailed performance analysis is crucial to clarify these issues. The multilevel programming paradigms considered in this study are hybrid MPI/OpenMP, MLP, and nested OpenMP. The hybrid MPI/OpenMP approach is based on using MPI [7] for the coarse grained parallelization and OpenMP [9] for fine grained loop level parallelism. The MPI programming paradigm assumes a private address space for each process. Data is transferred by explicitly exchanging messages via calls to the MPI library. This model was originally designed for distributed memory architectures but is also suitable for shared memory systems. The second paradigm under consideration is MLP which was developed by Taft. The approach is similar to MPi/OpenMP, using a mix of coarse grain process level parallelization and loop level OpenMP parallelization. As it is the case with MPI, a private address space is assumed for each process. The MLP approach was developed for ccNUMA architectures and explicitly takes advantage of the availability of shared memory. A shared memory arena which is accessible by all processes is required. Communication is done by reading from and writing to the shared memory.

Playing in parallel: the effects of multiplayer modes in active video game on motivation and physical exertion.

PubMed

Peng, Wei; Crouse, Julia

2013-06-01

Although multiplayer modes are common among contemporary video games, the bulk of game research focuses on the single-player mode. To fill the gap in the literature, the current study investigated the effects of different multiplayer modes on enjoyment, future play motivation, and the actual physical activity intensity in an active video game. One hundred sixty-two participants participated in a one-factor between-subject laboratory experiment with three conditions: (a) single player: play against self pretest score; (b) cooperation with another player in the same physical space; (c) parallel competition with another player in separated physical spaces. We found that parallel competition in separate physical spaces was the optimal mode, since it resulted in both high enjoyment and future play motivation and high physical intensity. Implications for future research on multiplayer mode and play space as well as active video game-based physical activity interventions are discussed.

Development of parallel scales to measure HIV-related stigma

PubMed Central

Visser, Maretha J.; Kershaw, Trace; Makin, Jennifer D.; Forsyth, Brian W.C.

2014-01-01

HIV-related stigma is a multidimensional concept which has pervasive effects on the lives of HIV-infected people as well as serious consequences for the management of HIV/AIDS. In this research three parallel stigma scales were developed to assess personal views of stigma, stigma attributed to others, and internalized stigma experienced by HIV-infected individuals. The stigma scales were administered in two samples: a community sample of 1077 respondents and 317 HIV-infected pregnant women recruited at clinics from the same community in Tshwane (South Africa). A two-factor structure referring to moral judgment and interpersonal distancing was confirmed across scales and sample groups. The internal consistency of the scales was acceptable and evidence of validity is reported. Parallel scales to assess and compare different perspectives of stigma provide opportunities for research aimed at understanding of stigma, assessing the consequences or evaluating possible interventions aimed at reducing stigma. PMID:18266101

Light scattering of rectangular slot antennas: parallel magnetic vector vs perpendicular electric vector

NASA Astrophysics Data System (ADS)

Lee, Dukhyung; Kim, Dai-Sik

2016-01-01

We study light scattering off rectangular slot nano antennas on a metal film varying incident polarization and incident angle, to examine which field vector of light is more important: electric vector perpendicular to, versus magnetic vector parallel to the long axis of the rectangle. While vector Babinet’s principle would prefer magnetic field along the long axis for optimizing slot antenna function, convention and intuition most often refer to the electric field perpendicular to it. Here, we demonstrate experimentally that in accordance with vector Babinet’s principle, the incident magnetic vector parallel to the long axis is the dominant component, with the perpendicular incident electric field making a small contribution of the factor of 1/|ε|, the reciprocal of the absolute value of the dielectric constant of the metal, owing to the non-perfectness of metals at optical frequencies.

The effect of earthquake on architecture geometry with non-parallel system irregularity configuration

NASA Astrophysics Data System (ADS)

Teddy, Livian; Hardiman, Gagoek; Nuroji; Tudjono, Sri

2017-12-01

Indonesia is an area prone to earthquake that may cause casualties and damage to buildings. The fatalities or the injured are not largely caused by the earthquake, but by building collapse. The collapse of the building is resulted from the building behaviour against the earthquake, and it depends on many factors, such as architectural design, geometry configuration of structural elements in horizontal and vertical plans, earthquake zone, geographical location (distance to earthquake center), soil type, material quality, and construction quality. One of the geometry configurations that may lead to the collapse of the building is irregular configuration of non-parallel system. In accordance with FEMA-451B, irregular configuration in non-parallel system is defined to have existed if the vertical lateral force-retaining elements are neither parallel nor symmetric with main orthogonal axes of the earthquake-retaining axis system. Such configuration may lead to torque, diagonal translation and local damage to buildings. It does not mean that non-parallel irregular configuration should not be formed on architectural design; however the designer must know the consequence of earthquake behaviour against buildings with irregular configuration of non-parallel system. The present research has the objective to identify earthquake behaviour in architectural geometry with irregular configuration of non-parallel system. The present research was quantitative with simulation experimental method. It consisted of 5 models, where architectural data and model structure data were inputted and analyzed using the software SAP2000 in order to find out its performance, and ETAB2015 to determine the eccentricity occurred. The output of the software analysis was tabulated, graphed, compared and analyzed with relevant theories. For areas of strong earthquake zones, avoid designing buildings which wholly form irregular configuration of non-parallel system. If it is inevitable to design a building with building parts containing irregular configuration of non-parallel system, make it more rigid by forming a triangle module, and use the formula.A good collaboration is needed between architects and structural experts in creating earthquake architecture.