Quantitative laser diagnostic and modeling study of C2 and CH chemistry in combustion.

PubMed

Köhler, Markus; Brockhinke, Andreas; Braun-Unkhoff, Marina; Kohse-Höinghaus, Katharina

2010-04-15

Quantitative concentration measurements of CH and C(2) have been performed in laminar, premixed, flat flames of propene and cyclopentene with varying stoichiometry. A combination of cavity ring-down (CRD) spectroscopy and laser-induced fluorescence (LIF) was used to enable sensitive detection of these species with high spatial resolution. Previously, CH and C(2) chemistry had been studied, predominantly in methane flames, to understand potential correlations of their formation and consumption. For flames of larger hydrocarbon fuels, however, quantitative information on these small intermediates is scarce, especially under fuel-rich conditions. Also, the combustion chemistry of C(2) in particular has not been studied in detail, and although it has often been observed, its role in potential build-up reactions of higher hydrocarbon species is not well understood. The quantitative measurements performed here are the first to detect both species with good spatial resolution and high sensitivity in the same experiment in flames of C(3) and C(5) fuels. The experimental profiles were compared with results of combustion modeling to reveal details of the formation and consumption of these important combustion molecules, and the investigation was devoted to assist the further understanding of the role of C(2) and of its potential chemical interdependences with CH and other small radicals.

The role of microbial community composition and groundwater chemistry in determining isoproturon degradation potential in UK aquifers.

PubMed

Johnson, Andrew; Llewellyn, Neville; Smith, Jennifer; van der Gast, Christopher; Lilley, Andrew; Singer, Andrew; Thompson, Ian

2004-07-01

The community response of indigenous sandstone, chalk and limestone groundwater microorganisms to the addition of the commonly used herbicide isoproturon was examined. The addition of 100 microg l(-1) isoproturon generally caused an increase in species diversity determined by chemotaxonomic analysis (fatty methyl ester analysis) of isolates resulting from incubation of cultures at 18 degrees C for 4 days. Amongst the groundwater samples to which isoproturon was added, isoproturon degradation rates were correlated with increasing dominance of a few species. However, the changes in community profile associated with isoproturon degradation varied from site to site. Repeated sub-culturing with 100 microg l(-1) isoproturon and sterile groundwater was carried out to examine whether this level of pesticide could exert a selection pressure, and hence stimulate more rapid degradation. Significantly increased degradation was observed in a groundwater sample from the chalk, but not in sandstone, or limestone samples. The addition of filter-sterilised sandstone groundwater to bacteria on filter paper from slow degrading limestone sites significantly improved their degrading performance. The addition of filter-sterilised limestone groundwater to the sandstone bacteria reduced their degradation rate only slightly. The data suggested that the nature of the indigenous community does influence pesticide degradation in groundwater, but that the groundwater chemistry may also play a role.

Quantitative Analysis in the General Chemistry Laboratory: Training Students to Analyze Individual Results in the Context of Collective Data

ERIC Educational Resources Information Center

Ling, Chris D.; Bridgeman, Adam J.

2011-01-01

Titration experiments are ideal for generating large data sets for use in quantitative-analysis activities that are meaningful and transparent to general chemistry students. We report the successful implementation of a sophisticated quantitative exercise in which the students identify a series of unknown acids by determining their molar masses…

Comparison of nine different real-time PCR chemistries for qualitative and quantitative applications in GMO detection.

PubMed

Buh Gasparic, Meti; Tengs, Torstein; La Paz, Jose Luis; Holst-Jensen, Arne; Pla, Maria; Esteve, Teresa; Zel, Jana; Gruden, Kristina

2010-03-01

Several techniques have been developed for detection and quantification of genetically modified organisms, but quantitative real-time PCR is by far the most popular approach. Among the most commonly used real-time PCR chemistries are TaqMan probes and SYBR green, but many other detection chemistries have also been developed. Because their performance has never been compared systematically, here we present an extensive evaluation of some promising chemistries: sequence-unspecific DNA labeling dyes (SYBR green), primer-based technologies (AmpliFluor, Plexor, Lux primers), and techniques involving double-labeled probes, comprising hybridization (molecular beacon) and hydrolysis (TaqMan, CPT, LNA, and MGB) probes, based on recently published experimental data. For each of the detection chemistries assays were included targeting selected loci. Real-time PCR chemistries were subsequently compared for their efficiency in PCR amplification and limits of detection and quantification. The overall applicability of the chemistries was evaluated, adding practicability and cost issues to the performance characteristics. None of the chemistries seemed to be significantly better than any other, but certain features favor LNA and MGB technology as good alternatives to TaqMan in quantification assays. SYBR green and molecular beacon assays can perform equally well but may need more optimization prior to use.

Methods Used by Pre-Service Nigeria Certificate in Education Teachers in Solving Quantitative Problems in Chemistry

ERIC Educational Resources Information Center

Danjuma, Ibrahim Mohammed

2011-01-01

This paper reports part of the results of research on chemical problem solving behavior of pre-service teachers in Plateau and Northeastern states of Nigeria. Specifically, it examines and describes the methods used by 204 pre-service teachers in solving quantitative problems from four topics in chemistry. Namely, gas laws; electrolysis;…

Dynamic of grassland vegetation degradation and its quantitative assessment in the northwest China

NASA Astrophysics Data System (ADS)

Zhou, Wei; Gang, Chengcheng; Zhou, Liang; Chen, Yizhao; Li, Jianlong; Ju, Weimin; Odeh, Inakwu

2014-02-01

Grasslands, one of the most widespread land cover types in China, are of great importance to natural environmental protection and socioeconomic development. An accurate quantitative assessment of the effects of inter-annual climate change and human activities on grassland productivity has great theoretical significance to understanding the driving mechanisms of grassland degradation. Net primary productivity (NPP) was selected as an indicator for analyzing grassland vegetation dynamics from 2001 to 2010. Potential NPP and the difference between potential NPP and actual NPP were used to represent the effects of climate and human factors, respectively, on grassland degradation. The results showed that 61.49% of grassland areas underwent degradation, whereas only 38.51% exhibited restoration. In addition, 65.75% of grassland degradation was caused by human activities whereas 19.94% was caused by inter-annual climate change. By contrast, 32.32% of grassland restoration was caused by human activities, whereas 56.56% was caused by climatic factors. Therefore, inter-annual climate change is the primary cause of grassland restoration, whereas human activities are the primary cause of grassland degradation. Grassland dynamics and the relative roles of climate and human factors in grassland degradation and restoration varied greatly across the five provinces studied. The contribution of human activities to grassland degradation was greater than that of climate change in all five provinces. Three outcomes were observed in grassland restoration: First, the contribution of climate to grassland restoration was greater than that of human activities, particularly in Qinghai, Inner Mongolia, and Xinjiang. Second, the contribution of human activities to grassland restoration was greater than that of climate in Gansu. Third, the two factors almost equally contributed to grassland restoration in Tibet. Therefore, the effectiveness of ecological restoration programs should be enhanced

Quantitative diagnosis and prognosis framework for concrete degradation due to alkali-silica reaction

NASA Astrophysics Data System (ADS)

Mahadevan, Sankaran; Neal, Kyle; Nath, Paromita; Bao, Yanqing; Cai, Guowei; Orme, Peter; Adams, Douglas; Agarwal, Vivek

2017-02-01

This research is seeking to develop a probabilistic framework for health diagnosis and prognosis of aging concrete structures in nuclear power plants that are subjected to physical, chemical, environment, and mechanical degradation. The proposed framework consists of four elements: monitoring, data analytics, uncertainty quantification, and prognosis. The current work focuses on degradation caused by ASR (alkali-silica reaction). Controlled concrete specimens with reactive aggregate are prepared to develop accelerated ASR degradation. Different monitoring techniques — infrared thermography, digital image correlation (DIC), mechanical deformation measurements, nonlinear impact resonance acoustic spectroscopy (NIRAS), and vibro-acoustic modulation (VAM) — are studied for ASR diagnosis of the specimens. Both DIC and mechanical measurements record the specimen deformation caused by ASR gel expansion. Thermography is used to compare the thermal response of pristine and damaged concrete specimens and generate a 2-D map of the damage (i.e., ASR gel and cracked area), thus facilitating localization and quantification of damage. NIRAS and VAM are two separate vibration-based techniques that detect nonlinear changes in dynamic properties caused by the damage. The diagnosis results from multiple techniques are then fused using a Bayesian network, which also helps to quantify the uncertainty in the diagnosis. Prognosis of ASR degradation is then performed based on the current state of degradation obtained from diagnosis, by using a coupled thermo-hydro-mechanical-chemical (THMC) model for ASR degradation. This comprehensive approach of monitoring, data analytics, and uncertainty-quantified diagnosis and prognosis will facilitate the development of a quantitative, risk informed framework that will support continuous assessment and risk management of structural health and performance.

Finding Biomass Degrading Enzymes Through an Activity-Correlated Quantitative Proteomics Platform (ACPP).

PubMed

Ma, Hongyan; Delafield, Daniel G; Wang, Zhe; You, Jianlan; Wu, Si

2017-04-01

The microbial secretome, known as a pool of biomass (i.e., plant-based materials) degrading enzymes, can be utilized to discover industrial enzyme candidates for biofuel production. Proteomics approaches have been applied to discover novel enzyme candidates through comparing protein expression profiles with enzyme activity of the whole secretome under different growth conditions. However, the activity measurement of each enzyme candidate is needed for confident "active" enzyme assignments, which remains to be elucidated. To address this challenge, we have developed an Activity-Correlated Quantitative Proteomics Platform (ACPP) that systematically correlates protein-level enzymatic activity patterns and protein elution profiles using a label-free quantitative proteomics approach. The ACPP optimized a high performance anion exchange separation for efficiently fractionating complex protein samples while preserving enzymatic activities. The detected enzymatic activity patterns in sequential fractions using microplate-based assays were cross-correlated with protein elution profiles using a customized pattern-matching algorithm with a correlation R-score. The ACPP has been successfully applied to the identification of two types of "active" biomass-degrading enzymes (i.e., starch hydrolysis enzymes and cellulose hydrolysis enzymes) from Aspergillus niger secretome in a multiplexed fashion. By determining protein elution profiles of 156 proteins in A. niger secretome, we confidently identified the 1,4-α-glucosidase as the major "active" starch hydrolysis enzyme (R = 0.96) and the endoglucanase as the major "active" cellulose hydrolysis enzyme (R = 0.97). The results demonstrated that the ACPP facilitated the discovery of bioactive enzymes from complex protein samples in a high-throughput, multiplexing, and untargeted fashion. Graphical Abstract ᅟ.

Finding Biomass Degrading Enzymes Through an Activity-Correlated Quantitative Proteomics Platform (ACPP)

NASA Astrophysics Data System (ADS)

Ma, Hongyan; Delafield, Daniel G.; Wang, Zhe; You, Jianlan; Wu, Si

2017-04-01

The microbial secretome, known as a pool of biomass (i.e., plant-based materials) degrading enzymes, can be utilized to discover industrial enzyme candidates for biofuel production. Proteomics approaches have been applied to discover novel enzyme candidates through comparing protein expression profiles with enzyme activity of the whole secretome under different growth conditions. However, the activity measurement of each enzyme candidate is needed for confident "active" enzyme assignments, which remains to be elucidated. To address this challenge, we have developed an Activity-Correlated Quantitative Proteomics Platform (ACPP) that systematically correlates protein-level enzymatic activity patterns and protein elution profiles using a label-free quantitative proteomics approach. The ACPP optimized a high performance anion exchange separation for efficiently fractionating complex protein samples while preserving enzymatic activities. The detected enzymatic activity patterns in sequential fractions using microplate-based assays were cross-correlated with protein elution profiles using a customized pattern-matching algorithm with a correlation R-score. The ACPP has been successfully applied to the identification of two types of "active" biomass-degrading enzymes (i.e., starch hydrolysis enzymes and cellulose hydrolysis enzymes) from Aspergillus niger secretome in a multiplexed fashion. By determining protein elution profiles of 156 proteins in A. niger secretome, we confidently identified the 1,4-α-glucosidase as the major "active" starch hydrolysis enzyme (R = 0.96) and the endoglucanase as the major "active" cellulose hydrolysis enzyme (R = 0.97). The results demonstrated that the ACPP facilitated the discovery of bioactive enzymes from complex protein samples in a high-throughput, multiplexing, and untargeted fashion.

The quantitative significance of Syntrophaceae and syntrophic partnerships in methanogenic degradation of crude oil alkanes

PubMed Central

Gray, N D; Sherry, A; Grant, R J; Rowan, A K; Hubert, C R J; Callbeck, C M; Aitken, C M; Jones, D M; Adams, J J; Larter, S R; Head, I M

2011-01-01

Libraries of 16S rRNA genes cloned from methanogenic oil degrading microcosms amended with North Sea crude oil and inoculated with estuarine sediment indicated that bacteria from the genera Smithella (Deltaproteobacteria, Syntrophaceace) and Marinobacter sp. (Gammaproteobacteria) were enriched during degradation. Growth yields and doubling times (36 days for both Smithella and Marinobacter) were determined using qPCR and quantitative data on alkanes, which were the predominant hydrocarbons degraded. The growth yield of the Smithella sp. [0.020 g(cell-C)/g(alkane-C)], assuming it utilized all alkanes removed was consistent with yields of bacteria that degrade hydrocarbons and other organic compounds in methanogenic consortia. Over 450 days of incubation predominance and exponential growth of Smithella was coincident with alkane removal and exponential accumulation of methane. This growth is consistent with Smithella's occurrence in near surface anoxic hydrocarbon degrading systems and their complete oxidation of crude oil alkanes to acetate and/or hydrogen in syntrophic partnership with methanogens in such systems. The calculated growth yield of the Marinobacter sp., assuming it grew on alkanes, was [0.0005 g(cell-C)/g(alkane-C)] suggesting that it played a minor role in alkane degradation. The dominant methanogens were hydrogenotrophs (Methanocalculus spp. from the Methanomicrobiales). Enrichment of hydrogen-oxidizing methanogens relative to acetoclastic methanogens was consistent with syntrophic acetate oxidation measured in methanogenic crude oil degrading enrichment cultures. qPCR of the Methanomicrobiales indicated growth characteristics consistent with measured rates of methane production and growth in partnership with Smithella. PMID:21914097

The quantitative significance of Syntrophaceae and syntrophic partnerships in methanogenic degradation of crude oil alkanes.

PubMed

Gray, N D; Sherry, A; Grant, R J; Rowan, A K; Hubert, C R J; Callbeck, C M; Aitken, C M; Jones, D M; Adams, J J; Larter, S R; Head, I M

2011-11-01

Libraries of 16S rRNA genes cloned from methanogenic oil degrading microcosms amended with North Sea crude oil and inoculated with estuarine sediment indicated that bacteria from the genera Smithella (Deltaproteobacteria, Syntrophaceace) and Marinobacter sp. (Gammaproteobacteria) were enriched during degradation. Growth yields and doubling times (36 days for both Smithella and Marinobacter) were determined using qPCR and quantitative data on alkanes, which were the predominant hydrocarbons degraded. The growth yield of the Smithella sp. [0.020 g(cell-C)/g(alkane-C)], assuming it utilized all alkanes removed was consistent with yields of bacteria that degrade hydrocarbons and other organic compounds in methanogenic consortia. Over 450 days of incubation predominance and exponential growth of Smithella was coincident with alkane removal and exponential accumulation of methane. This growth is consistent with Smithella's occurrence in near surface anoxic hydrocarbon degrading systems and their complete oxidation of crude oil alkanes to acetate and/or hydrogen in syntrophic partnership with methanogens in such systems. The calculated growth yield of the Marinobacter sp., assuming it grew on alkanes, was [0.0005 g(cell-C)/g(alkane-C)] suggesting that it played a minor role in alkane degradation. The dominant methanogens were hydrogenotrophs (Methanocalculus spp. from the Methanomicrobiales). Enrichment of hydrogen-oxidizing methanogens relative to acetoclastic methanogens was consistent with syntrophic acetate oxidation measured in methanogenic crude oil degrading enrichment cultures. qPCR of the Methanomicrobiales indicated growth characteristics consistent with measured rates of methane production and growth in partnership with Smithella. © 2011 Society for Applied Microbiology and Blackwell Publishing Ltd.

Advanced oxidation chemistry of paracetamol. UV/H(2)O(2)-induced hydroxylation/degradation pathways and (15)N-aided inventory of nitrogenous breakdown products.

PubMed

Vogna, Davide; Marotta, Raffaele; Napolitano, Alessandra; D'Ischia, Marco

2002-08-23

The advanced oxidation chemistry of the antipyretic drug paracetamol (1) with the UV/H(2)O(2) system was investigated by an integrated methodology based on (15)N-labeling and GC-MS, HPLC, and 2D (1)H, (13)C, and (15)N NMR analysis. Main degradation pathways derived from three hydroxylation steps, leading to 1,4-hydroquinone/1,4-benzoquinone, 4-acetylaminocatechol and, to a much lesser extent, 4-acetylaminoresorcine. Oxidation of the primary aromatic intermediates, viz. 4-acetylaminocatechol, 1,4-hydroquinone, 1,4-benzoquinone, and 1,2,4-benzenetriol, resulted in a series of nitrogenous and non-nitrogenous degradation products. The former included N-acetylglyoxylamide, acetylaminomalonic acid, acetylaminohydroxymalonic acid, acetylaminomaleic acid, diastereoisomeric 2-acetylamino-3-hydroxybutanedioic acids, 2-acetylaminobutenedioic acid, 3-acetylamino-4-hydroxy-2-pentenedioic acid, and 2,4-dihydroxy-3-acetylamino-2-pentenedioic acid, as well as two muconic and hydroxymuconic acid derivatives. (15)N NMR spectra revealed the accumulation since the early stages of substantial amounts of acetamide and oxalic acid monoamide. These results provide the first insight into the advanced oxidation chemistry of a 4-aminophenol derivative by the UV/H(2)O(2) system, and highlight the investigative potential of integrated GC-MS/NMR methodologies based on (15)N-labeling to track degradation pathways of nitrogenous species.

Degradations and Rearrangement Reactions

NASA Astrophysics Data System (ADS)

Zhang, Jianbo

This section deals with recent reports concerning degradation and rearrangement reactions of free sugars as well as some glycosides. The transformations are classified in chemical and enzymatic ways. In addition, the Maillard reaction will be discussed as an example of degradation and rearrangement transformation and its application in current research in the fields of chemistry and biology.

Circumstellar chemistry

NASA Technical Reports Server (NTRS)

Glassgold, Alfred E.; Huggins, Patrick J.

1987-01-01

The study of the outer envelopes of cool evolved stars has become an active area of research. The physical properties of CS envelopes are presented. Observations of many wavelengths bands are relevant. A summary of observations and a discussion of theoretical considerations concerning the chemistry are summarized. Recent theoretical considerations show that the thermal equilibrium model is of limited use for understanding the chemistry of the outer CS envelopes. The theoretical modeling of the chemistry of CS envelopes provides a quantitive test of chemical concepts which have a broader interest than the envelopes themselves.

Understanding the Impact of a General Chemistry Course on Students' Transition to Organic Chemistry

ERIC Educational Resources Information Center

Collins-Webb, Alexandra; Jeffery, Kathleen A.; Sweeder, Ryan D.

2016-01-01

The move from general chemistry to organic chemistry can be a challenge for students as it often involves a transition from quantitatively-oriented to mechanistically-oriented thinking. This study found that the design of the general chemistry course can change the student experience of this transition as assessed by a reflective survey. The…

Modeling the atmospheric chemistry of TICs

NASA Astrophysics Data System (ADS)

Henley, Michael V.; Burns, Douglas S.; Chynwat, Veeradej; Moore, William; Plitz, Angela; Rottmann, Shawn; Hearn, John

2009-05-01

An atmospheric chemistry model that describes the behavior and disposition of environmentally hazardous compounds discharged into the atmosphere was coupled with the transport and diffusion model, SCIPUFF. The atmospheric chemistry model was developed by reducing a detailed atmospheric chemistry mechanism to a simple empirical effective degradation rate term (keff) that is a function of important meteorological parameters such as solar flux, temperature, and cloud cover. Empirically derived keff functions that describe the degradation of target toxic industrial chemicals (TICs) were derived by statistically analyzing data generated from the detailed chemistry mechanism run over a wide range of (typical) atmospheric conditions. To assess and identify areas to improve the developed atmospheric chemistry model, sensitivity and uncertainty analyses were performed to (1) quantify the sensitivity of the model output (TIC concentrations) with respect to changes in the input parameters and (2) improve, where necessary, the quality of the input data based on sensitivity results. The model predictions were evaluated against experimental data. Chamber data were used to remove the complexities of dispersion in the atmosphere.

Starch: chemistry, microstructure, processing and enzymatic degradation

USDA-ARS?s Scientific Manuscript database

Starch is recognized as one of the most abundant and important commodities containing value added attributes for a vast number of industrial applications. Its chemistry, structure, property and susceptibility to various chemical, physical and enzymatic modifications offer a high technological value ...

Quantitative proteomic analyses of the microbial degradation of estrone under various background nitrogen and carbon conditions.

PubMed

Du, Zhe; Chen, Yinguang; Li, Xu

2017-10-15

Microbial degradation of estrogenic compounds can be affected by the nitrogen source and background carbon in the environment. However, the underlying mechanisms are not well understood. The objective of this study was to elucidate the molecular mechanisms of estrone (E1) biodegradation at the protein level under various background nitrogen (nitrate or ammonium) and carbon conditions (no background carbon, acetic acid, or humic acid as background carbon) by a newly isolated bacterial strain. The E1 degrading bacterial strain, Hydrogenophaga atypica ZD1, was isolated from river sediments and its proteome was characterized under various experimental conditions using quantitative proteomics. Results show that the E1 degradation rate was faster when ammonium was used as the nitrogen source than with nitrate. The degradation rate was also faster when either acetic acid or humic acid was present in the background. Proteomics analyses suggested that the E1 biodegradation products enter the tyrosine metabolism pathway. Compared to nitrate, ammonium likely promoted E1 degradation by increasing the activities of the branched-chain-amino-acid aminotransferase (IlvE) and enzymes involved in the glutamine synthetase-glutamine oxoglutarate aminotransferase (GS-GOGAT) pathway. The increased E1 degradation rate with acetic acid or humic acid in the background can also be attributed to the up-regulation of IlvE. Results from this study can help predict and explain E1 biodegradation kinetics under various environmental conditions. Copyright © 2017 Elsevier Ltd. All rights reserved.

A thermo-degradable hydrogel with light-tunable degradation and drug release.

PubMed

Hu, Jingjing; Chen, Yihua; Li, Yunqi; Zhou, Zhengjie; Cheng, Yiyun

2017-01-01

The development of thermo-degradable hydrogels is of great importance in drug delivery. However, it still remains a huge challenge to prepare thermo-degradable hydrogels with inherent degradation, reproducible, repeated and tunable dosing. Here, we reported a thermo-degradable hydrogel that is rapidly degraded above 44 °C by a facile chemistry. Besides thermo-degradability, the hydrogel also undergoes rapid photolysis with ultraviolet light. By embedding photothermal nanoparticles or upconversion nanoparticles into the gel, it can release the entrapped cargoes such as dyes, enzymes and anticancer drugs in an on-demand and dose-tunable fashion upon near-infrared light exposure. The smart hydrogel works well both in vitro and in vivo without involving sophisticated syntheses, and is well suited for clinical cancer therapy due to the high transparency and non-invasiveness features of near-infrared light. Copyright © 2016 Elsevier Ltd. All rights reserved.

Pretreatment of lignocellulosic biomass using Fenton chemistry

USDA-ARS?s Scientific Manuscript database

Pretreatment is a necessary step in “biomass to biofuel conversion” due to the recalcitrant nature of lignocellulosic biomass. White-rot fungi utilize peroxidases and hydrogen peroxide (in vivo Fenton chemistry) to degrade lignin. In an attempt to mimic this process, solution phase Fenton chemistry ...

Evaluation of four commercial quantitative real-time PCR kits with inhibited and degraded samples.

PubMed

Holmes, Amy S; Houston, Rachel; Elwick, Kyleen; Gangitano, David; Hughes-Stamm, Sheree

2018-05-01

DNA quantification is a vital step in forensic DNA analysis to determine the optimal input amount for DNA typing. A quantitative real-time polymerase chain reaction (qPCR) assay that can predict DNA degradation or inhibitors present in the sample prior to DNA amplification could aid forensic laboratories in creating a more streamlined and efficient workflow. This study compares the results from four commercial qPCR kits: (1) Investigator® Quantiplex® Pro Kit, (2) Quantifiler® Trio DNA Quantification Kit, (3) PowerQuant® System, and (4) InnoQuant® HY with high molecular weight DNA, low template samples, degraded samples, and DNA spiked with various inhibitors.The results of this study indicate that all kits were comparable in accurately predicting quantities of high quality DNA down to the sub-picogram level. However, the InnoQuant(R) HY kit showed the highest precision across the DNA concentration range tested in this study. In addition, all kits performed similarly with low concentrations of forensically relevant PCR inhibitors. However, in general, the Investigator® Quantiplex® Pro Kit was the most tolerant kit to inhibitors and provided the most accurate quantification results with higher concentrations of inhibitors (except with salt). PowerQuant® and InnoQuant® HY were the most sensitive to inhibitors, but they did indicate significant levels of PCR inhibition. When quantifying degraded samples, each kit provided different degradation indices (DI), with Investigator® Quantiplex® Pro indicating the largest DI and Quantifiler® Trio indicating the smallest DI. When the qPCR kits were paired with their respective STR kit to genotype highly degraded samples, the Investigator® 24plex QS and GlobalFiler® kits generated more complete profiles when the small target concentrations were used for calculating input amount.

Quantitative Analysis of Heavy Metals in Children's Toys and Jewelry: A Multi-Instrument, Multitechnique Exercise in Analytical Chemistry and Public Health

ERIC Educational Resources Information Center

Finch, Lauren E.; Hillyer, Margot M.; Leopold, Michael C.

2015-01-01

For most chemistry curricula, laboratory-based activities in quantitative and instrumental analysis continue to be an important aspect of student development/training, one that can be more effective if conceptual understanding is delivered through an inquiry-based process relating the material to relevant issues of public interest and student…

Degradation of dichlorvos using hydrodynamic cavitation based treatment strategies.

PubMed

Joshi, Ravi K; Gogate, Parag R

2012-05-01

The degradation of an aqueous solution of dichlorvos, a commonly used pesticide in India, has been systematically investigated using hydrodynamic cavitation reactor. All the experiments have been carried out using a 20 ppm solution of commercially available dichlorvos. The effect of important operating parameters such as inlet pressure (over a range 3-6 bar), temperature (31 °C, 36 °C and 39 °C) and pH (natural pH = 5.7 and acidic pH = 3) on the extent of degradation has been investigated initially. It has been observed that an optimum value of pressure gives maximum degradation whereas low temperature and pH of 3 are favorable. Intensification studies have been carried out using different additives such as hydrogen peroxide, carbon tetrachloride, and Fenton's reagent. Use of hydrogen peroxide and carbon tetrachloride resulted in the enhancement of the extent of degradation at optimized conditions but significant enhancement was obtained with the combined use of hydrodynamic cavitation and Fenton's chemistry. The maximum extent of degradation as obtained by using a combination of hydrodynamic cavitation and Fenton's chemistry was 91.5% in 1h of treatment time. The present work has conclusively established that hydrodynamic cavitation in combination with Fenton's chemistry can be effectively used for the degradation of dichlorvos. Copyright © 2011 Elsevier B.V. All rights reserved.

Quantitative assessment of the degradation of aggregated TDP-43 mediated by the ubiquitin proteasome system and macroautophagy.

PubMed

Cascella, Roberta; Fani, Giulia; Capitini, Claudia; Rusmini, Paola; Poletti, Angelo; Cecchi, Cristina; Chiti, Fabrizio

2017-12-01

Amyotrophic lateral sclerosis and frontotemporal lobar degeneration with ubiquitin-positive inclusions are neurodegenerative disorders that share the cytosolic deposition of TDP-43 (TAR DNA-binding protein 43) in the CNS. TDP-43 is well known as being actively degraded by both the proteasome and macroautophagy. The well-documented decrease in the efficiency of these clearance systems in aging and neurodegeneration, as well as the genetic evidence that many of the familial forms of TDP-43 proteinopathies involve genes that are associated with them, suggest that a failure of these protein degradation systems is a major factor that contributes to the onset of TDP-43-associated disorders. Here, we inserted preformed human TDP-43 aggregates in the cytosol of murine NSC34 and N2a cells in diffuse form and observed their degradation under conditions in which exogenous TDP-43 is not expressed and endogenous nuclear TDP-43 is not recruited, thereby allowing a time zero to be established in TDP-43 degradation and to observe its disposal kinetically and analytically. TDP-43 degradation was observed in the absence and presence of selective inhibitors and small interfering RNAs against the proteasome and autophagy. We found that cytosolic diffuse aggregates of TDP-43 can be distinguished in 3 different classes on the basis of their vulnerability to degradation, which contributed to the definition-with previous reports-of a total of 6 distinct classes of misfolded TDP-43 species that range from soluble monomer to undegradable macroaggregates. We also found that the proteasome and macroautophagy-degradable pools of TDP-43 are fully distinguishable, rather than in equilibrium between them on the time scale required for degradation, and that a significant crosstalk exists between the 2 degradation processes.-Cascella, R., Fani, G., Capitini, C., Rusmini, P., Poletti, A., Cecchi, C., Chiti, F. Quantitative assessment of the degradation of aggregated TDP-43 mediated by the ubiquitin

Have a Chemistry Field Day in Your Area.

ERIC Educational Resources Information Center

Mattson, Bruce M.; And Others

1989-01-01

Describes a full day of chemistry fun and competition for high school chemistry students. Notes teams have five students from each high school. Lists five competitive events for each team: titration, qualitative analysis, balancing equations, general chemistry quiz, and quantitative analysis with atomic absorption spectroscopy. (MVL)

Effects of DCPD Cement Chemistry on Degradation Properties and Cytocompatibility: Comparison of MCPM/β-TCP and MCPM/HA Formulations

PubMed Central

Alge, Daniel L.; Goebel, W. Scott; Chu, Tien-Min Gabriel

2013-01-01

Dicalcium phosphate dihydrate (DCPD) cements are attractive biomaterials for bone repair, and a number of different DCPD cement formulations have been proposed in the literature. In this study we have specifically compared monocalcium phosphate monohydrate (MCPM)/hydroxyapatite (HA) and MCPM/β-tricalcium phosphate (β-TCP) formulations to test the hypothesis that DCPD cement chemistry affects the degradation properties and cytocompatibility of the cement. Using simple in vitro models we found that MCPM/β-TCP formulations degraded primarily by DCPD dissolution, which was associated with a slight pH drop and relatively low mass loss. Cytocompatibility testing of cement conditioned culture media revealed no significant change in cell viability relative to the negative control for all of the MCPM/β-TCP formulations. In contrast, the MCPM/HA formulations were prone to undergo rapid conversion of DCPD to HA, resulting in a sharp pH drop and extensive mass loss. A stoichiometric excess of HA in the cement was found to accelerate the conversion process, and significant cytotoxicity was observed for the MCPM/HA formulations containing excess HA. Collectively, these results show that, although the product of the setting reaction is the same, DCPD cements produced with MCPM/HA and MCPM/β-TCP formulations differ significantly in their degradation properties and cytocompatibility. These differences may have important implications for the selection of a DCPD cement formulation for clinical application. PMID:23428798

Hydrolytically degradable poly(ethylene glycol) hydrogel scaffolds with tunable degradation and mechanical properties

PubMed Central

Zustiak, Silviya P.

2011-01-01

The objective of this work was to create three-dimensional (3D) hydrogel matrices with defined mechanical properties, as well as tunable degradability for use in applications involving protein delivery and cell encapsulation. Thus, we report the synthesis and characterization of a novel hydrolytically degradable poly(ethylene glycol) (PEG) hydrogel composed of PEG vinyl sulfone (PEG-VS) cross-linked with PEG-diester-dithiol. Unlike previously reported degradable PEG-based hydrogels, these materials are homogeneous in structure, fully hydrophilic and have highly specific cross-linking chemistry. We characterized hydrogel degradation and associated trends in mechanical properties, i.e., storage modulus (G′), swelling ratio (QM), and mesh size (ξ). Degradation time and the monitored mechanical properties of the hydrogel correlated with cross-linker molecular weight, cross-linker functionality, and total polymer density; these properties changed predictably as degradation proceeded (G′ decreased, whereas QM and ξ increased) until the gels reached complete degradation. Balb/3T3 fibroblast adhesion and proliferation within the 3D hydrogel matrices were also verified. In sum, these unique properties indicate that the reported degradable PEG hydrogels are well poised for specific applications in protein and cell delivery to repair soft tissue. PMID:20355705

Priority survey between indicators and analytic hierarchy process analysis for green chemistry technology assessment.

PubMed

Kim, Sungjune; Hong, Seokpyo; Ahn, Kilsoo; Gong, Sungyong

2015-01-01

This study presents the indicators and proxy variables for the quantitative assessment of green chemistry technologies and evaluates the relative importance of each assessment element by consulting experts from the fields of ecology, chemistry, safety, and public health. The results collected were subjected to an analytic hierarchy process to obtain the weights of the indicators and the proxy variables. These weights may prove useful in avoiding having to resort to qualitative means in absence of weights between indicators when integrating the results of quantitative assessment by indicator. This study points to the limitations of current quantitative assessment techniques for green chemistry technologies and seeks to present the future direction for quantitative assessment of green chemistry technologies.

Two High-Resolution, Quantitative, Infrared Spectral Libraries for Atmospheric Chemistry

NASA Astrophysics Data System (ADS)

Johnson, T. J.; Sharpe, S. W.; Sams, R. L.; Chu, P. M.

2001-12-01

The Pacific Northwest National Laboratory (PNNL) and the National Institute of Standards and Technology (NIST) are independently creating quantitative, 0.10 cm-1 resolution, infrared spectral libraries of vapor phase compounds. Both libraries contain many species of use to the gas-phase spectroscopist, including for atmospheric chemistry. The NIST library will consist of approximately 100 vapor phase spectra primarily associated with volatile hazardous air pollutants (HAPs) and suspected greenhouse gases, whereas the PNNL library will consist of approximately 400 vapor phase spectra associated with DOE's remediation mission. Data are being recorded from 600 to 6500 cm-1 to cover not only the classical fingerprint region, but much of the near-infrared as well. The wavelength axis is calibrated against published standards. To prepare the samples, the two laboratories use significantly different sample preparation and handling techniques: NIST uses gravimetric dilution and a continuous flowing sample while PNNL uses partial pressure dilution and a static sample. The data are validated against one another and agreement on the ordinate axis is generally found to be within the statistical uncertainties (2σ ) of the Beer's law fit and less than 3 % of the total integrated band areas for the 4 chemicals used in this comparison. The nature of the two databases and the rigorous nature used to acquire the data will be briefly discussed.

Priority survey between indicators and analytic hierarchy process analysis for green chemistry technology assessment

PubMed Central

Kim, Sungjune; Hong, Seokpyo; Ahn, Kilsoo; Gong, Sungyong

2015-01-01

Objectives This study presents the indicators and proxy variables for the quantitative assessment of green chemistry technologies and evaluates the relative importance of each assessment element by consulting experts from the fields of ecology, chemistry, safety, and public health. Methods The results collected were subjected to an analytic hierarchy process to obtain the weights of the indicators and the proxy variables. Results These weights may prove useful in avoiding having to resort to qualitative means in absence of weights between indicators when integrating the results of quantitative assessment by indicator. Conclusions This study points to the limitations of current quantitative assessment techniques for green chemistry technologies and seeks to present the future direction for quantitative assessment of green chemistry technologies. PMID:26206364

Quantitative adhesion characterization of antireflective coatings in multijunction photovoltaics

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

Brock, Ryan; Rewari, Raunaq; Novoa, Fernando D.

We discuss the development of a new composite dual cantilever beam (cDCB) thin-film adhesion testing method, which enables the quantitative measurement of adhesion on the thin and fragile substrates used in multijunction photovoltaics. In particular, we address the adhesion of several 2- and 3-layer antireflective coating systems on multijunction cells. By varying interface chemistry and morphology through processing, we demonstrate the marked effects on adhesion and help to develop an understanding of how high adhesion can be achieved, as adhesion values ranging from 0.5 J/m2 to 10 J/m2 were measured. Damp heat (85 degrees C/85% RH) was used to invokemore » degradation of interfacial adhesion. We demonstrate that even with germanium substrates that fracture relatively easily, quantitative measurements of adhesion can be made at high test yield. The cDCB test is discussed as an important new methodology, which can be broadly applied to any system that makes use of thin, brittle, or otherwise fragile substrates.« less

Non-invasive monitoring of the degradation of organic contaminants: A laboratory investigation

NASA Astrophysics Data System (ADS)

Fernandez, Perrine M.; Bloem, Esther; Philippe, Romain; Binley, Andrew; French, Helen K.

2016-04-01

Degradation of organic chemicals under various fluid saturation conditions is a process highly relevant to the protection of groundwater quality. Redox potential drives the degradation of organic compounds; its variation affects the water chemistry, gas release and also the geo-electrical signature. This study explores how non-invasive measurements sensitive to geo-electrical properties provides quantitative information about the in-situ redox conditions. Our laboratory experiment focuses on the degradation of de-icing chemicals commonly used, for example, in Norwegian airports. The experiment was conducted in a number of (1.0x0.5x0.4 m) sand boxes. Two ends of each box was contaminated with propylene glycol, an aircraft deicing fluid. Each source was placed near the water table under static hydraulic conditions. At one side of the tank, a conductor linking the contamination zone, near the water table and the unsaturated zone with a low water content, was placed to improve the degradation by facilitating the electron exchange. At the other side, degradation occurred under natural conditions. Each box was equipped with 288 electrodes, distributed on six faces to perform 3D resistivity measurements. In addition, self-potential measurements were taken from electrodes on the sand surface. Four observation wells were installed above and below the water table to provide more information on the degradation processes. Moreover, measurements of carbon dioxide on the surface were performed as higher concentrations were expected where the pollutant degraded. We would like to present and discuss a selection of the preliminary results of 3D electrical resistivity and self-potential techniques from our laboratory setup.

Characterization of endoplasmic reticulum-associated degradation of a protein S mutant identified in a family of quantitative protein S deficiency.

PubMed

Tsuda, Hiroko; Tokunaga, Fuminori; Nagamitsu, Hiroshi; Koide, Takehiko

2006-01-01

Misfolded and unassembled glycoproteins are eliminated from the endoplasmic reticulum (ER) lumen by the ER-associated degradation (ERAD). We previously identified a Tyr595Cys (Y595C) mutation of protein S (PS) in a family of a quantitative PS deficiency. The mutation causes intracellular degradation and decreased secretion of the Y595C mutant PS. The aim of the present study was to further characterize the molecular basis of the intracellular degradation of the mutant. We stably expressed the mutant in mammalian cells, and analyzed the intracellular localization of the protein. The intracellular degradation pathway was determined by pulse-chase analyses in the presence of various inhibitors of ERAD. Endoglycosidase H digestion and immunofluorescence staining revealed the mutant being retained in the ER. Epoxomicin, a potent and specific proteasome inhibitor, and Ala-Ala-Phe-CH(2)Cl (AAF), an inhibitor of tripeptidyl peptidase II (TPPII), suppressed the intracellular degradation of the mutant by about 65% and 50%, respectively. When epoxomicin was combined with AAF, the inhibitory effect was substantially enhanced. Although castanospermine, an inhibitor of glucosidases I and II, did not affect the degradation, kifunensine, an inhibitor of ER mannosidase I, suppressed it. Thus, it appears that the Y595C mutant is degraded through more than one pathway of ERAD, including the proteasome-dependent pathway and an alternate proteasome-independent pathway where proteases such as TPPII may be involved. Production of the critical B isoform of Man(8)GlcNAc(2) targets the mutant for ERAD, however, the interaction with calnexin/calreticulin through monoglucosylated oligosaccharides may not be required for the degradation of the mutant.

Analysis of the Effect of Sequencing Lecture and Laboratory Instruction on Student Learning and Motivation Towards Learning Chemistry in an Organic Chemistry Lecture Course

ERIC Educational Resources Information Center

Pakhira, Deblina

2012-01-01

Exposure to organic chemistry concepts in the laboratory can positively affect student performance, learning new chemistry concepts and building motivation towards learning chemistry in the lecture. In this study, quantitative methods were employed to assess differences in student performance, learning, and motivation in an organic chemistry…

LC–MS/MS Quantitation of Esophagus Disease Blood Serum Glycoproteins by Enrichment with Hydrazide Chemistry and Lectin Affinity Chromatography

PubMed Central

2015-01-01

Changes in glycosylation have been shown to have a profound correlation with development/malignancy in many cancer types. Currently, two major enrichment techniques have been widely applied in glycoproteomics, namely, lectin affinity chromatography (LAC)-based and hydrazide chemistry (HC)-based enrichments. Here we report the LC–MS/MS quantitative analyses of human blood serum glycoproteins and glycopeptides associated with esophageal diseases by LAC- and HC-based enrichment. The separate and complementary qualitative and quantitative data analyses of protein glycosylation were performed using both enrichment techniques. Chemometric and statistical evaluations, PCA plots, or ANOVA test, respectively, were employed to determine and confirm candidate cancer-associated glycoprotein/glycopeptide biomarkers. Out of 139, 59 common glycoproteins (42% overlap) were observed in both enrichment techniques. This overlap is very similar to previously published studies. The quantitation and evaluation of significantly changed glycoproteins/glycopeptides are complementary between LAC and HC enrichments. LC–ESI–MS/MS analyses indicated that 7 glycoproteins enriched by LAC and 11 glycoproteins enriched by HC showed significantly different abundances between disease-free and disease cohorts. Multiple reaction monitoring quantitation resulted in 13 glycopeptides by LAC enrichment and 10 glycosylation sites by HC enrichment to be statistically different among disease cohorts. PMID:25134008

3D resistivity method to monitor degradation of an organic contaminant in sand boxes

NASA Astrophysics Data System (ADS)

Fernandez, P. M.; Bloem, E.; Philippe, R.; French, H. K.

2015-12-01

Degradation of organic chemicals under various saturation conditions is a process highly relevant to protect groundwater. The redox potential drives the degradation of organic compounds. Its variation affects the water chemistry, gas release and responses of the geo-electrical signature. This study explores how non-invasive measurements sensitive to geo-electrical properties provides quantitative information about the in-situ redox situation. During this presentation, the preliminary results of a laboratory experiment to study the degradation of deicing chemicals with 3D resistivity and self-potential techniques, water samples will be shown. The experiment consists of sand boxes (1.0x0.5x0.4 m) to which both sides of each box is contaminated with propylene glycol, an aircraft deicing fluid, commonly used in Norwegian airports. Each source is placed near the water table with static conditions. At one side a conductor is placed, linking the contamination zone at the water table and the unsaturated zone with a low water content, to improve the degradation by facilitating the electron exchange. At the other side, degradation occurs under natural conditions. Each box is equipped with 288 electrodes, distributed on six faces to perform 3D resistivity measurements. In addition to the resistivity, self-potential measurements are taken from the sand surface. Six water wells are installed above and below the water table to provide more information on the degradation processes. Moreover, measurements of carbon dioxide on the surface are performed as higher concentrations are expected where the pollutant is degraded.

Digital biology and chemistry.

PubMed

Witters, Daan; Sun, Bing; Begolo, Stefano; Rodriguez-Manzano, Jesus; Robles, Whitney; Ismagilov, Rustem F

2014-09-07

This account examines developments in "digital" biology and chemistry within the context of microfluidics, from a personal perspective. Using microfluidics as a frame of reference, we identify two areas of research within digital biology and chemistry that are of special interest: (i) the study of systems that switch between discrete states in response to changes in chemical concentration of signals, and (ii) the study of single biological entities such as molecules or cells. In particular, microfluidics accelerates analysis of switching systems (i.e., those that exhibit a sharp change in output over a narrow range of input) by enabling monitoring of multiple reactions in parallel over a range of concentrations of signals. Conversely, such switching systems can be used to create new kinds of microfluidic detection systems that provide "analog-to-digital" signal conversion and logic. Microfluidic compartmentalization technologies for studying and isolating single entities can be used to reconstruct and understand cellular processes, study interactions between single biological entities, and examine the intrinsic heterogeneity of populations of molecules, cells, or organisms. Furthermore, compartmentalization of single cells or molecules in "digital" microfluidic experiments can induce switching in a range of reaction systems to enable sensitive detection of cells or biomolecules, such as with digital ELISA or digital PCR. This "digitizing" offers advantages in terms of robustness, assay design, and simplicity because quantitative information can be obtained with qualitative measurements. While digital formats have been shown to improve the robustness of existing chemistries, we anticipate that in the future they will enable new chemistries to be used for quantitative measurements, and that digital biology and chemistry will continue to provide further opportunities for measuring biomolecules, understanding natural systems more deeply, and advancing molecular and

Development of Total Reflection X-ray fluorescence spectrometry quantitative methodologies for elemental characterization of building materials and their degradation products

NASA Astrophysics Data System (ADS)

García-Florentino, Cristina; Maguregui, Maite; Marguí, Eva; Torrent, Laura; Queralt, Ignasi; Madariaga, Juan Manuel

2018-05-01

In this work, a Total Reflection X-ray fluorescence (TXRF) spectrometry based quantitative methodology for elemental characterization of liquid extracts and solids belonging to old building materials and their degradation products from a building of the beginning of 20th century with a high historic cultural value in Getxo, (Basque Country, North of Spain) is proposed. This quantification strategy can be considered a faster methodology comparing to traditional Energy or Wavelength Dispersive X-ray fluorescence (ED-XRF and WD-XRF) spectrometry based methodologies or other techniques such as Inductively Coupled Plasma Mass Spectrometry (ICP-MS). In particular, two kinds of liquid extracts were analysed: (i) water soluble extracts from different mortars and (ii) acid extracts from mortars, black crusts, and calcium carbonate formations. In order to try to avoid the acid extraction step of the materials and their degradation products, it was also studied the TXRF direct measurement of the powdered solid suspensions in water. With this aim, different parameters such as the deposition volume and the measuring time were studied for each kind of samples. Depending on the quantified element, the limits of detection achieved with the TXRF quantitative methodologies for liquid extracts and solids were set around 0.01-1.2 and 2-200 mg/L respectively. The quantification of K, Ca, Ti, Mn, Fe, Zn, Rb, Sr, Sn and Pb in the liquid extracts was proved to be a faster alternative to other more classic quantification techniques (i.e. ICP-MS), accurate enough to obtain information about the composition of the acidic soluble part of the materials and their degradation products. Regarding the solid samples measured as suspensions, it was quite difficult to obtain stable and repetitive suspensions affecting in this way the accuracy of the results. To cope with this problem, correction factors based on the quantitative results obtained using ED-XRF were calculated to improve the accuracy of

Insight into Enzymatic Degradation of Corn, Wheat, and Soybean Cell Wall Cellulose Using Quantitative Secretome Analysis of Aspergillus fumigatus.

PubMed

Sharma Ghimire, Prakriti; Ouyang, Haomiao; Wang, Qian; Luo, Yuanming; Shi, Bo; Yang, Jinghua; Lü, Yang; Jin, Cheng

2016-12-02

Lignocelluloses contained in animal forage cannot be digested by pigs or poultry with 100% efficiency. On contrary, Aspergillus fumigatus, a saprophytic filamentous fungus, is known to harbor 263 glycoside hydrolase encoding genes, suggesting that A. fumigatus is an efficient lignocellulose degrader. Hence the present study uses corn, wheat, or soybean as a sole carbon source to culture A. fumigatus under animal physiological condition to understand how cellulolytic enzymes work together to achieve an efficient degradation of lignocellulose. Our results showed that A. fumigatus produced different sets of enzymes to degrade lignocelluloses derived from corn, wheat, or soybean cell wall. In addition, the cellulolytic enzymes produced by A. fumigatus were stable under acidic condition or at higher temperatures. Using isobaric tags for a relative and absolute quantification (iTRAQ) approach, a total of ∼600 extracellular proteins were identified and quantified, in which ∼50 proteins were involved in lignocellulolysis, including cellulases, hemicellulases, lignin-degrading enzymes, and some hypothetical proteins. Data are available via ProteomeXchange with identifier PXD004670. On the basis of quantitative iTRAQ results, 14 genes were selected for further confirmation by RT-PCR. Taken together, our results indicated that the expression and regulation of lignocellulolytic proteins in the secretome of A. fumigatus were dependent on both nature and complexity of cellulose, thus suggesting that a different enzyme system is required for degradation of different lignocelluloses derived from plant cells. Although A. fumigatus is a pathogenic fungus and cannot be directly used as an enzyme source, as an efficient lignocellulose degrader its strategy to synergistically degrade various lignocelluloses with different enzymes can be used to design enzyme combination for optimal digestion and absorption of corn, wheat, or soybean that are used as forage of pig and poultry.

Green polymer chemistry: biocatalysis and biomaterials

USDA-ARS?s Scientific Manuscript database

This overview briefly surveys the practice of green chemistry in polymer science. Eight related themes can be discerned from the current research activities: 1) biocatalysis, 2) bio-based building blocks and agricultural products, 3) degradable polymers, 4) recycling of polymer products and catalys...

Green Chemistry Challenge: 2017 Small Business Award

EPA Pesticide Factsheets

Green Chemistry Challenge 2017 award winner, UniEnergy,improved a vanadium redox flow battery to double the energy density, have a broader operating temperature range, a smaller footprint, reduced chemical usage, and very little capacity degradation.

Quantitative cardiac SPECT reconstruction with reduced image degradation due to patient anatomy

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

Tsui, B.M.W.; Zhao, X.D.; Gregoriou, G.K.

1994-12-01

Patient anatomy has complicated effects on cardiac SPECT images. The authors investigated reconstruction methods which substantially reduced these effects for improved image quality. A 3D mathematical cardiac-torso (MCAT) phantom which models the anatomical structures in the thorax region were used in the study. The phantom was modified to simulate variations in patient anatomy including regions of natural thinning along the myocardium, body size, diaphragmatic shape, gender, and size and shape of breasts for female patients. Distributions of attenuation coefficients and Tl-201 uptake in different organs in a normal patient were also simulated. Emission projection data were generated from the phantomsmore » including effects of attenuation and detector response. The authors have observed the attenuation-induced artifacts caused by patient anatomy in the conventional FBP reconstructed images. Accurate attenuation compensation using iterative reconstruction algorithms and attenuation maps substantially reduced the image artifacts and improved quantitative accuracy. They conclude that reconstruction methods which accurately compensate for non-uniform attenuation can substantially reduce image degradation caused by variations in patient anatomy in cardiac SPECT.« less

Research for the advancement of green chemistry practice: Studies in atmospheric and educational chemistry

NASA Astrophysics Data System (ADS)

Cullipher, Steven Gene

Green chemistry is a philosophy of chemistry that emphasizes a decreasing dependence on limited non-renewable resources and an increasing focus on preventing pollution byproducts of the chemical industry. In short, it is the discipline of chemistry practiced through the lens of environmental stewardship. In an effort to advance the practice of green chemistry, three studies will be described that have ramifications for the practice. The first study examines the atmospheric oxidation of a hydrofluorinated ether, a third-generation CFC replacement compound with primarily unknown atmospheric degradation products. Determination of these products has the potential to impact decisions on refrigerant usage in the future. The second study examines chemistry students' development of understanding benefits-costs-risks analysis when presented with two real-world scenarios: refrigerant choice and fuel choice. By studying how benefits-costs-risks thinking develops, curricular materials and instructional approaches can be designed to better foster the development of an ability that is both necessary for green chemists and important in daily decision-making for non-chemists. The final study uses eye tracking technology to examine students' abilities to interpret molecular properties from structural information in the context of global warming. Such abilities are fundamental if chemists are to appropriately assess risks and hazards of chemistry practice.

Developing and Implementing a Reorganized Undergraduate Chemistry Curriculum Based on the Foundational Chemistry Topics of Structure, Reactivity, and Quantitation

ERIC Educational Resources Information Center

Schaller, Chris P.; Graham, Kate J.; Johnson, Brian J.; Fazal, M. A.; Jones, T. Nicholas; McIntee, Edward J.; Jakubowski, Henry V.

2014-01-01

The recent revision of undergraduate curricular guidelines from the American Chemical Society Committee on Professional Training (ACS-CPT) has generated interest in examining new ways of organizing course sequences both for chemistry majors and for nonmajors. A radical reconstruction of the foundation-level chemistry curriculum is presented in…

Degradable polyphosphazene/poly(alpha-hydroxyester) blends: degradation studies.

PubMed

Ambrosio, Archel M A; Allcock, Harry R; Katti, Dhirendra S; Laurencin, Cato T

2002-04-01

Biomaterials based on the polymers of lactic acid and glycolic acid and their copolymers are used or studied extensively as implantable devices for drug delivery, tissue engineering and other biomedical applications. Although these polymers have shown good biocompatibility, concerns have been raised regarding their acidic degradation products, which have important implications for long-term implantable systems. Therefore, we have designed a novel biodegradable polyphosphazene/poly(alpha-hydroxyester) blend whose degradation products are less acidic than those of the poly(alpha-hydroxyester) alone. In this study, the degradation characteristics of a blend of poly(lactide-co-glycolide) (50:50 PLAGA) and poly[(50% ethyl glycinato)(50% p-methylphenoxy) phosphazene] (PPHOS-EG50) were qualitatively and quantitatively determined with comparisons made to the parent polymers. Circular matrices (14mm diameter) of the PLAGA, PPHOS-EG50 and PLAGA-PPHOS-EG50 blend were degraded in non-buffered solutions (pH 7.4). The degraded polymers were characterized for percentage mass loss and molecular weight and the degradation medium was characterized for acid released in non-buffered solutions. The amounts of neutralizing base necessary to bring about neutral pH were measured for each polymer or polymer blend during degradation. The poly(phosphazene)/poly(lactide-co-glycolide) blend required significantly less neutralizing base in order to bring about neutral solution pH during the degradation period studied. The results indicated that the blend degraded at a rate intermediate to that of the parent polymers and that the degradation products of the polyphosphazene neutralized the acidic degradation products of PLAGA. Thus, results from these in vitro degradation studies suggest that the PLAGA-PPHOS-EG50 blend may provide a viable improvement to biomaterials based on acid-releasing organic polymers.

Green polymer chemistry: a brief review

USDA-ARS?s Scientific Manuscript database

This review briefly surveys the research done on green polymer chemistry in the past few years. For convenience, these research activities can be grouped into 8 themes: 1) greener catalysis, 2) diverse feedstock base, 3) degradable polymers and waste minimization, 4) recycling of polymer products a...

Degradation and resilience of soils

PubMed Central

Lal, R.

1997-01-01

Debate on global soil degradation, its extent and agronomic impact, can only be resolved through understanding of the processes and factors leading to establishment of the cause-effect relationships for major soils, ecoregions, and land uses. Systematic evaluation through long-term experimentation is needed for establishing quantitative criteria of (i) soil quality in relation to specific functions; (ii) soil degradation in relation to critical limits of key soil properties and processes; and (iii) soil resilience in relation to the ease of restoration through judicious management and discriminate use of essential input. Quantitative assessment of soil degradation can be obtained by evaluating its impact on productivity for different land uses and management systems. Interdisciplinary research is needed to quantify soil degradation effects on decrease in productivity, reduction in biomass, and decline in environment quality throught pollution and eutrophication of natural waters and emission of radiatively-active gases from terrestrial ecosystems to the atmosphere. Data from long-term field experiments in principal ecoregions are specifically needed to (i) establish relationships between soil quality versus soil degradation and soil quality versus soil resilience; (ii) identify indicators of soil quality and soil resilience; and (iii) establish critical limits of important properties for soil degradation and soil resilience. There is a need to develop and standardize techniques for measuring soil resilience.

Photocatalytic degradation using design of experiments: a review and example of the Congo red degradation.

PubMed

Sakkas, Vasilios A; Islam, Md Azharul; Stalikas, Constantine; Albanis, Triantafyllos A

2010-03-15

The use of chemometric methods such as response surface methodology (RSM) based on statistical design of experiments (DOEs) is becoming increasingly widespread in several sciences such as analytical chemistry, engineering and environmental chemistry. Applied catalysis, is certainly not the exception. It is clear that photocatalytic processes mated with chemometric experimental design play a crucial role in the ability of reaching the optimum of the catalytic reactions. The present article reviews the major applications of RSM in modern experimental design combined with photocatalytic degradation processes. Moreover, the theoretical principles and designs that enable to obtain a polynomial regression equation, which expresses the influence of process parameters on the response are thoroughly discussed. An original experimental work, the photocatalytic degradation of the dye Congo red (CR) using TiO(2) suspensions and H(2)O(2), in natural surface water (river water) is comprehensively described as a case study, in order to provide sufficient guidelines to deal with this subject, in a rational and integrated way. (c) 2009 Elsevier B.V. All rights reserved.

Quality of dry chemistry testing.

PubMed

Nakamura, H; Tatsumi, N

1999-01-01

Since the development of the qualitative test paper for urine in 1950s, several kinds of dry-state-reagents and their automated analyzers have been developed. "Dry chemistry" has become to be called since the report on the development of quantitative test paper for serum bilirubin with reflectometer in the end of 1960s and dry chemistry has been world widely known since the presentation on the development of multilayer film reagent for serum biochemical analytes by Eastman Kodak Co at the 10th IFCC Meeting in the end of 1970s. We have reported test menu, results in external quality assessment, merits and demerits, and the future possibilities of dry chemistry.

Quantitative assessment on the contribution of direct photolysis and radical oxidation in photochemical degradation of 4-chlorophenol and oxytetracycline.

PubMed

Liu, Yiqing; He, Xuexiang; Fu, Yongsheng; Dionysiou, Dionysios D

2016-07-01

In UV-254 nm/H2O2 advanced oxidation process (AOP), the potential degradation pathways for organic pollutants include (1) hydrolysis, (2) direct H2O2 oxidation, (3) UV direct photolysis, and (4) hydroxyl radical (HO(•)) reaction. In this study, the contribution of these pathways was quantitatively assessed in the photochemical destruction of 4-chlorophenol (4-CP), demonstrating pathways (3) and (4) to be predominantly responsible for the removal of 4-CP by UV/H2O2 in 50 mM phosphate buffer solution. Increasing reaction pH could significantly enhance the contribution of direct photolysis in UV/H2O2 process. The contribution of HO(•) oxidation was improved with increasing initial H2O2 concentration probably due to the increased formation of HO(•). Presence of sodium carbonate (Na2CO3) as in UV/H2O2/Na2CO3 system promoted the degradation of 4-CP, with carbonate radical (CO3 (•-)) reaction and direct photolysis identified to be the main contributing pathways. The trends in the contribution of each factor were further evaluated and validated on the degradation of the antibiotic compound oxytetracycline (OTC). This study provides valuable information on the relative importance of different reaction pathways on the photochemical degradation of organic contaminants such as 4-CP and OTC in the presence and absence of a CO3 (•-) precursor.

Mathematics Competency for Beginning Chemistry Students Through Dimensional Analysis.

PubMed

Pursell, David P; Forlemu, Neville Y; Anagho, Leonard E

2017-01-01

Mathematics competency in nursing education and practice may be addressed by an instructional variation of the traditional dimensional analysis technique typically presented in beginning chemistry courses. The authors studied 73 beginning chemistry students using the typical dimensional analysis technique and the variation technique. Student quantitative problem-solving performance was evaluated. Students using the variation technique scored significantly better (18.3 of 20 points, p < .0001) on the final examination quantitative titration problem than those who used the typical technique (10.9 of 20 points). American Chemical Society examination scores and in-house assessment indicate that better performing beginning chemistry students were more likely to use the variation technique rather than the typical technique. The variation technique may be useful as an alternative instructional approach to enhance beginning chemistry students' mathematics competency and problem-solving ability in both education and practice. [J Nurs Educ. 2017;56(1):22-26.]. Copyright 2017, SLACK Incorporated.

Evaluating Environmental Chemistry Textbooks.

ERIC Educational Resources Information Center

Hites, Ronald A.

2001-01-01

A director of the Indiana University Center for Environmental Science Research reviews textbooks on environmental chemistry. Highlights clear writing, intellectual depth, presence of problem sets covering both the qualitative and quantitative aspects of the material, and full coverage of the topics of concern. Discusses the director's own approach…

Analytical Chemistry and the Microchip.

ERIC Educational Resources Information Center

Lowry, Robert K.

1986-01-01

Analytical techniques used at various points in making microchips are described. They include: Fourier transform infrared spectrometry (silicon purity); optical emission spectroscopy (quantitative thin-film composition); X-ray photoelectron spectroscopy (chemical changes in thin films); wet chemistry, instrumental analysis (process chemicals);…

Kinetics and Quantitative Structure—Activity Relationship Study on the Degradation Reaction from Perfluorooctanoic Acid to Trifluoroacetic Acid

PubMed Central

Gong, Chen; Sun, Xiaomin; Zhang, Chenxi; Zhang, Xue; Niu, Junfeng

2014-01-01

Investigation of the degradation kinetics of perfluorooctanoic acid (PFOA) has been carried out to calculate rate constants of the main elementary reactions using the multichannel Rice-Ramsperger-Kassel-Marcus theory and canonical variational transition state theory with small-curvature tunneling correction over a temperature range of 200~500 K. The Arrhenius equations of rate constants of elementary reactions are fitted. The decarboxylation is role step in the degradation mechanism of PFOA. For the perfluorinated carboxylic acids from perfluorooctanoic acid to trifluoroacetic acid, the quantitative structure–activity relationship of the decarboxylation was analyzed with the genetic function approximation method and the structure–activity model was constructed. The main parameters governing rate constants of the decarboxylation reaction from the eight-carbon chain to the two-carbon chain were obtained. As the structure–activity model shows, the bond length and energy of C1–C2 (RC1–C2 and EC1–C2) are positively correlated to rate constants, while the volume (V), the energy difference between EHOMO and ELUMO (ΔE), and the net atomic charges on atom C2 (QC2) are negatively correlated. PMID:25196516

Computing protein infrared spectroscopy with quantum chemistry.

PubMed

Besley, Nicholas A

2007-12-15

Quantum chemistry is a field of science that has undergone unprecedented advances in the last 50 years. From the pioneering work of Boys in the 1950s, quantum chemistry has evolved from being regarded as a specialized and esoteric discipline to a widely used tool that underpins much of the current research in chemistry today. This achievement was recognized with the award of the 1998 Nobel Prize in Chemistry to John Pople and Walter Kohn. As the new millennium unfolds, quantum chemistry stands at the forefront of an exciting new era. Quantitative calculations on systems of the magnitude of proteins are becoming a realistic possibility, an achievement that would have been unimaginable to the early pioneers of quantum chemistry. In this article we will describe ongoing work towards this goal, focusing on the calculation of protein infrared amide bands directly with quantum chemical methods.

Perspectives on Computational Organic Chemistry

PubMed Central

Streitwieser, Andrew

2009-01-01

The author reviews how his early love for theoretical organic chemistry led to experimental research and the extended search for quantitative correlations between experiment and quantum calculations. The experimental work led to ion pair acidities of alkali-organic compounds and most recently to equilibria and reactions of lithium and cesium enolates in THF. This chemistry is now being modeled by ab initio calculations. An important consideration is the treatment of solvation in which coordination of the alkali cation with the ether solvent plays a major role. PMID:19518150

Toward Quantitative Small Animal Pinhole SPECT: Assessment of Quantitation Accuracy Prior to Image Compensations

PubMed Central

Chen, Chia-Lin; Wang, Yuchuan; Lee, Jason J. S.; Tsui, Benjamin M. W.

2011-01-01

Purpose We assessed the quantitation accuracy of small animal pinhole single photon emission computed tomography (SPECT) under the current preclinical settings, where image compensations are not routinely applied. Procedures The effects of several common image-degrading factors and imaging parameters on quantitation accuracy were evaluated using Monte-Carlo simulation methods. Typical preclinical imaging configurations were modeled, and quantitative analyses were performed based on image reconstructions without compensating for attenuation, scatter, and limited system resolution. Results Using mouse-sized phantom studies as examples, attenuation effects alone degraded quantitation accuracy by up to −18% (Tc-99m or In-111) or −41% (I-125). The inclusion of scatter effects changed the above numbers to −12% (Tc-99m or In-111) and −21% (I-125), respectively, indicating the significance of scatter in quantitative I-125 imaging. Region-of-interest (ROI) definitions have greater impacts on regional quantitation accuracy for small sphere sources as compared to attenuation and scatter effects. For the same ROI, SPECT acquisitions using pinhole apertures of different sizes could significantly affect the outcome, whereas the use of different radii-of-rotation yielded negligible differences in quantitation accuracy for the imaging configurations simulated. Conclusions We have systematically quantified the influence of several factors affecting the quantitation accuracy of small animal pinhole SPECT. In order to consistently achieve accurate quantitation within 5% of the truth, comprehensive image compensation methods are needed. PMID:19048346

Video Episodes and Action Cameras in the Undergraduate Chemistry Laboratory: Eliciting Student Perceptions of Meaningful Learning

ERIC Educational Resources Information Center

Galloway, Kelli R.; Bretz, Stacey Lowery

2016-01-01

A series of quantitative studies investigated undergraduate students' perceptions of their cognitive and affective learning in the undergraduate chemistry laboratory. To explore these quantitative findings, a qualitative research protocol was developed to characterize student learning in the undergraduate chemistry laboratory. Students (N = 13)…

Degradability of Polymers for Implantable Biomedical Devices

PubMed Central

Lyu, SuPing; Untereker, Darrel

2009-01-01

Many key components of implantable medical devices are made from polymeric materials. The functions of these materials include structural support, electrical insulation, protection of other materials from the environment of the body, and biocompatibility, as well as other things such as delivery of a therapeutic drug. In such roles, the stability and integrity of the polymer, over what can be a very long period of time, is very important. For most of these functions, stability over time is desired, but in other cases, the opposite–the degradation and disappearance of the polymer over time is required. In either case, it is important to understand both the chemistry that can lead to the degradation of polymers as well as the kinetics that controls these reactions. Hydrolysis and oxidation are the two classes of reactions that lead to the breaking down of polymers. Both are discussed in detail in the context of the environmental factors that impact the utility of various polymers for medical device applications. Understanding the chemistry and kinetics allows prediction of stability as well as explanations for observations such as porosity and the unexpected behavior of polymeric composite materials in some situations. In the last part, physical degradation such interfacial delamination in composites is discussed. PMID:19865531

Degradation of Environmental Contaminants with Water-Soluble Cobalt Catalysts: An Integrative Inorganic Chemistry Investigation

ERIC Educational Resources Information Center

Evans, Alexandra L.; Messersmith, Reid E.; Green, David B.; Fritsch, Joseph M.

2011-01-01

We present an integrative laboratory investigation incorporating skills from inorganic chemistry, analytical instrumentation, and physical chemistry applied to a laboratory-scale model of the environmental problem of chlorinated ethylenes in groundwater. Perchloroethylene (C[subscript 2]Cl[subscript 4], PCE) a common dry cleaning solvent,…

In vitro quantitative study of the degradation of endomorphins.

PubMed

Tömböly, Csaba; Péter, Antal; Tóth, Géza

2002-09-01

The catabolism of the endomorphins was investigated in detail. The endomorphins were degraded relatively slowly in the rat brain homogenate (t1/2(endomorphin-1)=4.94 min; t1/2(endomorphin-2)=3.81 min). The inhibition of metalloproteases and aminopeptidases stabilised the endomorphins to the greatest extent. The digestion of endomorphins tritiated specifically on Tyr(1), Pro(2) or Phe(3) established also that only the aminopeptidase pathways were essential for inactivation of the endomorphins, and that the tetrapeptides were degraded by cleavage of the Pro(2)-Trp(3) or Pro(2)-Phe(3) bond. The end-products of the catabolism were amino acids; the fragments Tyr-Pro-OH and Pro-Trp-Phe-NH2 were present as intermediates. Metabolites produced by brain carboxypeptidases were not detected.

Green polymer chemistry: Some recent developments and examples

USDA-ARS?s Scientific Manuscript database

Green polymer chemistry continues to be a popular field, with many books and publications in print. Research is being conducted in several areas within this field, including: 1) green catalysis, 2) diverse feedstock base, 3) degradable polymers and waste minimization, 4) recycling of polymer produc...

Monitoring the dynamics of syntrophic β-oxidizing bacteria during anaerobic degradation of oleic acid by quantitative PCR.

PubMed

Ziels, Ryan M; Beck, David A C; Martí, Magalí; Gough, Heidi L; Stensel, H David; Svensson, Bo H

2015-04-01

The ecophysiology of long-chain fatty acid-degrading syntrophic β-oxidizing bacteria has been poorly understood due to a lack of quantitative abundance data. Here, TaqMan quantitative PCR (qPCR) assays targeting the 16S rRNA gene of the known mesophilic syntrophic β-oxidizing bacterial genera Syntrophomonas and Syntrophus were developed and validated. Microbial community dynamics were followed using qPCR and Illumina-based high-throughput amplicon sequencing in triplicate methanogenic bioreactors subjected to five consecutive batch feedings of oleic acid. With repeated oleic acid feeding, the initial specific methane production rate significantly increased along with the relative abundances of Syntrophomonas and methanogenic archaea in the bioreactor communities. The novel qPCR assays showed that Syntrophomonas increased from 7 to 31% of the bacterial community 16S rRNA gene concentration, whereas that of Syntrophus decreased from 0.02 to less than 0.005%. High-throughput amplicon sequencing also revealed that Syntrophomonas became the dominant genus within the bioreactor microbiomes. These results suggest that increased specific mineralization rates of oleic acid were attributed to quantitative shifts within the microbial communities toward higher abundances of syntrophic β-oxidizing bacteria and methanogenic archaea. The novel qPCR assays targeting syntrophic β-oxidizing bacteria may thus serve as monitoring tools to indicate the fatty acid β-oxidization potential of anaerobic digester communities. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Quantitative Clinical Chemistry Proteomics (qCCP) using mass spectrometry: general characteristics and application.

PubMed

Lehmann, Sylvain; Hoofnagle, Andrew; Hochstrasser, Denis; Brede, Cato; Glueckmann, Matthias; Cocho, José A; Ceglarek, Uta; Lenz, Christof; Vialaret, Jérôme; Scherl, Alexander; Hirtz, Christophe

2013-05-01

Proteomics studies typically aim to exhaustively detect peptides/proteins in a given biological sample. Over the past decade, the number of publications using proteomics methodologies has exploded. This was made possible due to the availability of high-quality genomic data and many technological advances in the fields of microfluidics and mass spectrometry. Proteomics in biomedical research was initially used in 'functional' studies for the identification of proteins involved in pathophysiological processes, complexes and networks. Improved sensitivity of instrumentation facilitated the analysis of even more complex sample types, including human biological fluids. It is at that point the field of clinical proteomics was born, and its fundamental aim was the discovery and (ideally) validation of biomarkers for the diagnosis, prognosis, or therapeutic monitoring of disease. Eventually, it was recognized that the technologies used in clinical proteomics studies [particularly liquid chromatography-tandem mass spectrometry (LC-MS/MS)] could represent an alternative to classical immunochemical assays. Prior to deploying MS in the measurement of peptides/proteins in the clinical laboratory, it seems likely that traditional proteomics workflows and data management systems will need to adapt to the clinical environment and meet in vitro diagnostic (IVD) regulatory constraints. This defines a new field, as reviewed in this article, that we have termed quantitative Clinical Chemistry Proteomics (qCCP).

Pretreatment of lignocellulosic biomass using Fenton chemistry.

PubMed

Kato, Dawn M; Elía, Noelia; Flythe, Michael; Lynn, Bert C

2014-06-01

In an attempt to mimic white-rot fungi lignin degradation via in vivo Fenton chemistry, solution phase Fenton chemistry (10 g biomass, 176 mmol hydrogen peroxide and 1.25 mmol Fe(2+) in 200 mL of water) was applied to four different biomass feedstocks. An enzymatic saccharification of Fenton pretreated biomass showed an average 212% increase relative to untreated control across all four feedstocks (P<0.05, statistically significant). A microbial fermentation of the same Fenton pretreated biomass showed a threefold increase in gas production upon a sequential co-culture with Clostridium thermocellum and Clostridium beijerinckii. These results demonstrate the use of solution phase Fenton chemistry as a viable pretreatment method to make cellulose more bioavailable for microbial biofuel conversion. Copyright © 2014 Elsevier Ltd. All rights reserved.

Experimental and theoretical studies on the OH-initiated degradation of tert-butylamine

NASA Astrophysics Data System (ADS)

Tan, Wen; D'Anna, Barbara; Eichler, Philipp; Mikoviny, Tomas; Müller, Markus; Jørgen Nielsen, Claus; Wisthaler, Armin; Zhu, Liang

2017-04-01

Amine-based carbon dioxide (CO2) capture facilities release small amounts of amines into the atmosphere. Once airborne, the amines are photochemically transformed into imines, amides, nitrosamines, nitramines and other breakdown products. As some of these products pose a risk to human health and the environment, we have elucidated photochemical decomposition mechanisms of various types of amines in previous work. Our studies did, however, not include amines in which the primary amino group is attached to a tertiary carbon atom, with 2-amino-2-methyl-1-propanol (AMP, (CH3)2C(NH2)CH2OH) being a prominent candidate used in CO2 capture. Our initial step in elucidating the degradation mechanism of AMP was to study tert-butylamine (tBA, (CH3)3C(NH2)), which is a similar molecule but lacks the OH group. OH-initiated degradation of tBA was studied in chamber experiments at the European Photoreactor (EUPHORE) in Valencia (Spain) using state-of-the-art analytical instrumentation. A Proton-Transfer-Reaction Time-of-Flight Mass Spectrometer (PTR-ToF-MS) was used to measure tBA and tBA degradation products in the gas phase. Propan-2-imine (PI, (CH3)2C(=NH)) and tert-butylnitramine (tBNA, (CH3)3C(NHNO2)) were observed as the two major gas-phase products. An Aerosol Mass Spectrometer (AMS) made quantitative measurements of tert-butylaminium nitrate in the particle phase. A PTR-ToF-MS instrument equipped with a "chemical analysis of aerosol online" (CHARON) inlet detected the two major tBA degradation products (PI, tBNA) in the particle phase. Experimental work was supplemented by quantum chemistry calculations. We will present measured product yields and a complete degradation scheme of tBA. This work was supported by the Norwegian Research Council CLIMIT program under contract 244055.

Chemistry and Heritage

NASA Astrophysics Data System (ADS)

Vittoria Barbarulo, Maria

2014-05-01

Chemistry is the central science, as it touches every aspect of the society we live in and it is intertwined with many aspects of our culture; in particular, the strong link between Chemistry and Archaeology and Art History is being explored, offering a penetrating insight into an area of growing interest from an educational point of view. A series of vital and vibrant examples (i.e., ancient bronzes composition, colour changes due to natural pigment decomposition, marble degradation) has been proposed, on one hand, to improve student understanding of the relationship between cultural and scientific issues arising from the examination, the conservation, and the maintenance of cultural Heritage, on the other, to illustrate the role of the underlying Chemistry. In some case studies, a survey of the most relevant atmospheric factors, which are involved in the deterioration mechanisms, has also been presented to the students. First-hand laboratory experiences have been providing an invaluable means of discovering the full and varied world of Chemistry. Furthermore, the promotion of an interdisciplinary investigation of a famous painting or fresco, involving the study of its nature and significance, the definition of its historical context, any related literature, the chemical knowledge of the materials used, may be an excellent occasion to experiment the Content and Language Integrated Learning (CLIL). The aim of this approach is to convey the important message that everyone has the responsibility to care for and preserve Heritage for the benefit of present and future generations.

College Students Solving Chemistry Problems: A Theoretical Model of Expertise

ERIC Educational Resources Information Center

Taasoobshirazi, Gita; Glynn, Shawn M.

2009-01-01

A model of expertise in chemistry problem solving was tested on undergraduate science majors enrolled in a chemistry course. The model was based on Anderson's "Adaptive Control of Thought-Rational" (ACT-R) theory. The model shows how conceptualization, self-efficacy, and strategy interact and contribute to the successful solution of quantitative,…

Citrate chemistry and biology for biomaterials design.

PubMed

Ma, Chuying; Gerhard, Ethan; Lu, Di; Yang, Jian

2018-05-04

Leveraging the multifunctional nature of citrate in chemistry and inspired by its important role in biological tissues, a class of highly versatile and functional citrate-based materials (CBBs) has been developed via facile and cost-effective polycondensation. CBBs exhibiting tunable mechanical properties and degradation rates, together with excellent biocompatibility and processability, have been successfully applied in vitro and in vivo for applications ranging from soft to hard tissue regeneration, as well as for nanomedicine designs. We summarize in the review, chemistry considerations for CBBs design to tune polymer properties and to introduce functionality with a focus on the most recent advances, biological functions of citrate in native tissues with the new notion of degradation products as cell modulator highlighted, and the applications of CBBs in wound healing, nanomedicine, orthopedic, cardiovascular, nerve and bladder tissue engineering. Given the expansive evidence for citrate's potential in biology and biomaterial science outlined in this review, it is expected that citrate based materials will continue to play an important role in regenerative engineering. Copyright © 2018 Elsevier Ltd. All rights reserved.

Determination of electrical properties of degraded mixed ionic conductors: Impedance studies with applied dc voltage

NASA Astrophysics Data System (ADS)

Bayer, T. J. M.; Carter, J. J.; Wang, Jian-Jun; Klein, Andreas; Chen, Long-Qing; Randall, C. A.

2017-12-01

Under electrical bias, mixed ionic conductors such as SrTiO3 are characterized by oxygen vacancy migration which leads to resistance degradation. The defect chemistry to describe the relationship between conductivity and oxygen vacancies is usually obtained by high temperature conductivity data or quenching experiments. These techniques can investigate the equilibrated state only. Here, we introduce a new approach using in-situ impedance studies with applied dc voltage to analyze the temperature dependent electrical properties of degraded SrTiO3 single crystals. This procedure is most beneficial since it includes electric field driven effects. The benefits of the approach are highlighted by comparing acceptor doped and undoped SrTiO3. This approach allows the determination of the temperature activation of both anodic and cathodic conductivity of Fe-doped SrTiO3 in the degraded state. The anodic activation energy matches well with the published results, while the activation energy of the degraded cathode region reported here is not in agreement with earlier assumptions. The specific discrepancies of the experimental data and the published defect chemistry are discussed, and a defect chemistry model that includes the strong temperature dependence of the electron conductivity in the cathode region is proposed.

Research on the development of green chemistry technology assessment techniques: a material reutilization case.

PubMed

Hong, Seokpyo; Ahn, Kilsoo; Kim, Sungjune; Gong, Sungyong

2015-01-01

This study presents a methodology that enables a quantitative assessment of green chemistry technologies. The study carries out a quantitative evaluation of a particular case of material reutilization by calculating the level of "greenness" i.e., the level of compliance with the principles of green chemistry that was achieved by implementing a green chemistry technology. The results indicate that the greenness level was enhanced by 42% compared to the pre-improvement level, thus demonstrating the economic feasibility of green chemistry. The assessment technique established in this study will serve as a useful reference for setting the direction of industry-level and government-level technological R&D and for evaluating newly developed technologies, which can greatly contribute toward gaining a competitive advantage in the global market.

Chemical Characterization of the Degradation of Necromass from Four Ascomycota Fungi: Implications for Soil Organic Carbon Turnover and Storage

NASA Astrophysics Data System (ADS)

Bruner, V. J.; Schreiner, K. M.; Blair, N. E.; Egerton, L.

2016-12-01

Terrestrial soils store vast amounts of organic carbon, approximately twice as much carbon as is currently in the atmospheric CO2 pool. Despite its importance in the global carbon cycle, much is still unknown about the source, turnover, and stability of this soil organic carbon (SOC) pool. For example, fungi are known to play an important role in shaping the chemistry of SOC by degrading common biopolymers, and fungal biomass has been found to be a significant portion of living microbial SOC, dominating over bacteria in some soils by as much as 90%. And yet, despite growing evidence that microbial necromass may be larger contributors to SOC than previously thought, very little is known about the specific degradation patterns of fungal necromass and subsequently its potential chemical contributions to long-lived SOC pools. This study addresses these knowledge gaps through a time-series analysis of the degradation patterns of fungal tissue from four different saprotrophic Ascomyota species in temperate restored prairie soils. Fungal tissue was buried in soils both within a temperature- and light-controlled laboratory environment, and in a field environment, and harvested at intervals from 1 day to two months. After harvest, chemical analysis of the dried tissue by thermochemolysis pyrolysis-GCMS was used for relative quantitation of a variety of common biomolecules and biopolymers within the fungal tissue that may be long lived in soils, including chitin, glucan, mannan, ergosterol, and melanin. The degradation of these specific molecules, bulk fungal tissue, and bulk C and N within the tissue, is modeled to (1) show that a small portion of fungal necromass persists in the environment even after the period of the experiment and could serve as a contributor to long-lived SOC, and (2) provide quantitative information on the contribution of fungal tissue to global SOC pools.

African land degradation in a world of global atmospheric change: fertilization conceals degradation?

NASA Astrophysics Data System (ADS)

Le, Lulseged Tamene, Paul L. G. Vlek, Quang Bao

2009-04-01

Land degradation is one of the most widespread environmental problems worldwide. The sub-Saharan Africa (SSA) is one of the most seriously affected regions with huge implications on food security and economic development. To plan plausible management measures, understanding the magnitude of the problem and identification of hotspot areas are necessary. Analysis of remote sensing and climate data observed from space for the period 1982 - 2003 showed significant improvement in vegetation productivity across 30% of SSA with decline on 5% of the subcontinent. Global change in atmospheric chemistry is likely responsible for the observed increasing trend in vegetation productivity. Such widespread greening observed from space could mask anthropogenic land degradation processes such as land conversion, selective logging, and soil nutrient mining. To assess this possible masking effect, a re-analysis of the vegetation productivity dynamics, taking into account atmospheric fertilization, was conducted. This was performed by analyzing the long-term trend in vegetation productivity of pristine lands (areas with minimum human- and climate- related impacts) identified across different biomes in SSA. The baseline slope values of biomass accrual calculated for those pristine lands were estimated and used to re-calculate the long-term trend of green biomass with and without the impact of atmospheric fertilization. This ultimately enabled to delineate the areas that would have experienced significant loss in vegetation productivity had the atmospheric chemistry not changed. The result suggests that seven times more than the area of actual productivity decline in SSA is affected by land degradation processes that are concealed by atmospheric fertilization. With this rate of surreptitious loss of vital land attributes and with the current rate of population growth (3%), the SSA subcontinent may soon lack the land resources necessary to foster economic development. Spatially

Proteogenomic Characterization of Monocyclic Aromatic Hydrocarbon Degradation Pathways in the Aniline-Degrading Bacterium Burkholderia sp. K24.

PubMed

Lee, Sang-Yeop; Kim, Gun-Hwa; Yun, Sung Ho; Choi, Chi-Won; Yi, Yoon-Sun; Kim, Jonghyun; Chung, Young-Ho; Park, Edmond Changkyun; Kim, Seung Il

2016-01-01

Burkholderia sp. K24, formerly known as Acinetobacter lwoffii K24, is a soil bacterium capable of utilizing aniline as its sole carbon and nitrogen source. Genomic sequence analysis revealed that this bacterium possesses putative gene clusters for biodegradation of various monocyclic aromatic hydrocarbons (MAHs), including benzene, toluene, and xylene (BTX), as well as aniline. We verified the proposed MAH biodegradation pathways by dioxygenase activity assays, RT-PCR, and LC/MS-based quantitative proteomic analyses. This proteogenomic approach revealed four independent degradation pathways, all converging into the citric acid cycle. Aniline and p-hydroxybenzoate degradation pathways converged into the β-ketoadipate pathway. Benzoate and toluene were degraded through the benzoyl-CoA degradation pathway. The xylene isomers, i.e., o-, m-, and p-xylene, were degraded via the extradiol cleavage pathways. Salicylate was degraded through the gentisate degradation pathway. Our results show that Burkholderia sp. K24 possesses versatile biodegradation pathways, which may be employed for efficient bioremediation of aniline and BTX.

Proteogenomic Characterization of Monocyclic Aromatic Hydrocarbon Degradation Pathways in the Aniline-Degrading Bacterium Burkholderia sp. K24

PubMed Central

Yun, Sung Ho; Choi, Chi-Won; Yi, Yoon-Sun; Kim, Jonghyun; Chung, Young-Ho; Park, Edmond Changkyun; Kim, Seung Il

2016-01-01

Burkholderia sp. K24, formerly known as Acinetobacter lwoffii K24, is a soil bacterium capable of utilizing aniline as its sole carbon and nitrogen source. Genomic sequence analysis revealed that this bacterium possesses putative gene clusters for biodegradation of various monocyclic aromatic hydrocarbons (MAHs), including benzene, toluene, and xylene (BTX), as well as aniline. We verified the proposed MAH biodegradation pathways by dioxygenase activity assays, RT-PCR, and LC/MS-based quantitative proteomic analyses. This proteogenomic approach revealed four independent degradation pathways, all converging into the citric acid cycle. Aniline and p-hydroxybenzoate degradation pathways converged into the β-ketoadipate pathway. Benzoate and toluene were degraded through the benzoyl-CoA degradation pathway. The xylene isomers, i.e., o-, m-, and p-xylene, were degraded via the extradiol cleavage pathways. Salicylate was degraded through the gentisate degradation pathway. Our results show that Burkholderia sp. K24 possesses versatile biodegradation pathways, which may be employed for efficient bioremediation of aniline and BTX. PMID:27124467

Theme-Based Bidisciplinary Chemistry Laboratory Modules

NASA Astrophysics Data System (ADS)

Leber, Phyllis A.; Szczerbicki, Sandra K.

1996-12-01

A thematic approach to each of the two introductory chemistry laboratory sequences, general and organic chemistry, not only provides an element of cohesion but also stresses the role that chemistry plays as the "central science" and emphasizes the intimate link between chemistry and other science disciplines. Thus, in general chemistry the rubric "Environmental Chemistry" affords connections to the geosciences, whereas experiments on the topic of "Plant Assays" bridge organic chemistry and biology. By establishing links with other science departments, the theme-based laboratory experiments will satisfy the following multidisciplinary criteria: (i) to demonstrate the general applicability of core methodologies to the sciences, (ii) to help students relate concepts to a broader multidisciplinary context, (iii) to foster an attitude of both independence and cooperation that can transcend the teaching laboratory to the research arena, and (iv) to promote greater cooperation and interaction between the science departments. Fundamentally, this approach has the potential to impact the chemistry curriculum significantly by including student decision-making in the experimental process. Furthermore, the incorporation of GC-MS, a powerful tool for separation and identification as well as a state-of-the-art analytical technique, in the modules will enhance the introductory general and organic chemistry laboratory sequences by making them more instrument-intensive and by providing a reliable and reproducible means of obtaining quantitative analyses. Each multifaceted module has been designed to meet the following criteria: (i) a synthetic protocol including full spectral characterization of products, (ii) quantitative and statistical analyses of data, and (iii) construction of a database of results. The database will provide several concrete functions. It will foster the idea that science is a continuous incremental process building on the results of earlier experimentalists

Organic Chemistry in Space

NASA Technical Reports Server (NTRS)

Charnley, Steven

2009-01-01

Astronomical observations, theoretical modeling, laboratory simulation and analysis of extraterrestrial material have enhanced our knowledge of the inventory of organic matter in the interstellar medium (ISM) and on small bodies such as comets and asteroids (Ehrenfreund & Charnley 2000). Comets, asteroids and their fragments, meteorites and interplanetary dust particles (IDPs), contributed significant amounts of extraterrestrial organic matter to the young Earth. This material degraded and reacted in a terrestrial prebiotic chemistry to form organic structures that may have served as building blocks for life on the early Earth. In this talk I will summarize our current understanding of the organic composition and chemistry of interstellar clouds. Molecules of astrobiological relevance include the building blocks of our genetic material: nucleic acids, composed of subunits such as N-heterocycles (purines and pyrimidines), sugars and amino acids. Signatures indicative of inheritance of pristine and modified interstellar material in comets and meteorites will also be discussed.

Nondestructive evaluation of degradation in papaya fruit using intensity based algorithms

NASA Astrophysics Data System (ADS)

Kumari, Shubhashri; Nirala, Anil Kumar

2018-05-01

In the proposed work degradation in Papaya fruit has been evaluated nondestructively using laser biospeckle technique. The biospeckle activity inside the fruit has been evaluated qualitatively and quantitatively during its maturity to degradation stage using intensity based algorithms. Co-occurrence matrix (COM) has been used for qualitative analysis whereas Inertia Moment (IM), Absolute value Difference (AVD) and Autocovariance methods have been used for quantitative analysis. The biospeckle activity has been found to first increase and then decrease during study period of five days. In addition Granulometric size distribution (GSD) has also been used for the first time for the evaluation of degradation of the papaya. It is concluded that the degradation process of papaya fruit can be evaluated nondestructively using all the mentioned algorithms.

[Degradation characteristics of swamps in Zoige Plateau induced by drainage based on quantitative classification of vegetation].

PubMed

Li, Ke; Yang, Yong-Xing; Yang, Yang; Han, Da-Yong

2012-07-01

Based on the field survey of swamp ecological characteristics and environmental quality and the ecological investigation of drained swamp transects in Zoige Plateau of Tibet in 2009, twenty typical swamp plots in the Plateau were classified into three types by TWINSPAN, i. e., primary swamp, long-term drained degraded swamp, and short-term drained degraded swamp, and each type of the degraded swamps was divided into three degradation grades, i. e., light degradation, moderate degradation, and severe degradation, with the degradation characteristics of vegetation and soil along the swamp degraded gradient studied. The swamp degradation in the Plateau was mainly driven by drainage pattern, drainage intensity, and soil moisture gradient, and the vegetation degradation was more obvious than the soil degradation. In the vegetation degradation, the structural change of hydro-type functional assemblage was most obvious, e. g., the importance value of helophytes under the stress of long-term drainage and short-term drainage decreased from 0.920 to 0.183 and 0.053, while that of mesophytes increased from 0.029 to 0.613 and 0.686, respectively. The soil response to the swamp degradation was in hysteresis, i. e., the soil physical and chemical properties presented definite variations but the differences were not significant among the swamps with different grades of degradation. The results of CCA indicated that soil moisture and nitrogen and potassium contents were the most important factors affecting the plant species distribution in drained degraded swamps in Zoige Plateau.

Development of a pressurized liquid extraction-solid-phase extraction followed by liquid chromatography-electrospray ionization tandem mass spectrometry method for the quantitative determination of benzoxazolinones and their degradation products in agricultural soil.

PubMed

Villagrasa, M; Guillamón, M; Navarro, A; Eljarrat, E; Barceló, D

2008-02-01

A new analytical method for the quantitative determination of benzoxazolinones and their degradation products in agricultural soils based on the use of pressurized liquid extraction (PLE) followed by solid-phase extraction (SPE) and then instrumental determination using liquid chromatography-electrospray ionization tandem mass spectrometry (LC-ESI-MS-MS) is described. Using this method, the characterization, separation and quantitative detection of a mixture of two benzoxazolinones, benzoxazolin-2-one (BOA) and 6-methoxybenzoxazolin-2-one (MBOA) and their degradation products, 2-aminophenol (APH), N-(2-hydroxyphenyl)malonamic acid (HMPMA), 2-amino-3-H-phenoxazin-3-one (APO), 9-methoxy-2-amino-3-H-phenoxazin-3-one (AMPO), 2-acetylamino-3-H-phenoxazin-3-one (AAPO) and 2-acetylamino-9-methoxy-2-amino-3-H-phenoxazin-3-one (AAMPO) was achieved. The complete LC-ESI-MS-MS precursor-product ion fragmentation pathways for the degradation products of benzoxazolinones are described for the first time. Quantitative analysis was done in the multiple reaction mode using two specific combinations of precursor-product ion transitions for each compound. The optimized method was quality assessed by the measure of parameter as recovery, linearity, sensitivity, repeatability and reproducibility. Recoveries of the analytes ranged from 53 to 123%. The developed method offered improvements to the sensitivity as compared with our previously LC-MS method, with detection limits down to 2.4-21 ng/g of dry weight. This achievement allows us to identify and quantify for the first time degradation products of benzoxazolinones in real agricultural soil samples. Analytes were found in the range of 20.6-149 ng/g dry weight.

Extraction and Antibacterial Properties of Thyme Leaf Extracts: Authentic Practice of Green Chemistry

ERIC Educational Resources Information Center

Purcell, Sean C.; Pande, Prithvi; Lin, Yingxin; Rivera, Ernesto J.; Paw U, Latisha; Smallwood, Luisa M.; Kerstiens, Geri A.; Armstrong, Laura B.; Robak, MaryAnn T.; Baranger, Anne M.; Douskey, Michelle C.

2016-01-01

In this undergraduate analytical chemistry experiment, students quantitatively assess the antibacterial activity of essential oils found in thyme leaves ("Thymus vulgaris") in an authentic, research-like environment. This multi-week experiment aims to instill green chemistry principles as intrinsic to chemical problem solving. Students…

Undergraduate Introductory Quantitative Chemistry Laboratory Course: Interdisciplinary Group Projects in Phytoremediation

ERIC Educational Resources Information Center

Van Engelen, Debra L.; Suljak, Steven W.; Hall, J. Patrick; Holmes, Bert E.

2007-01-01

The laboratory course around the phytoremediation is designed to develop both individual skills and promote cooperative learning while starting students work on projects in a specific area of environmental chemistry and analysis. Many research-active undergraduate institutions have developed courses, which are interdisciplinary in nature that…

Revitalizing chemistry laboratory instruction

NASA Astrophysics Data System (ADS)

McBride, Phil Blake

This dissertation involves research in three major domains of chemical education as partial fulfillment of the requirements for the Ph.D. program in chemistry at Miami University with a major emphasis on chemical education, and concurrent study in organic chemistry. Unit I, Development and Assessment of a Column Chromatography Laboratory Activity, addresses the domain of Instructional Materials Development and Testing. This unit outlines the process of developing a publishable laboratory activity, testing and revising that activity, and subsequently sharing that activity with the chemical education community. A laboratory activity focusing on the separation of methylene blue and sodium fluorescein was developed to demonstrate the effects of both the stationary and mobile phase in conducting a separation. Unit II, Bringing Industry to the Laboratory, addresses the domain of Curriculum Development and Testing. This unit outlines the development of the Chemistry of Copper Mining module, which is intended for use in high school or undergraduate college chemistry. The module uses the learning cycle approach to present the chemistry of the industrial processes of mining copper to the students. The module includes thirteen investigations (three of which are web-based and ten which are laboratory experiments) and an accompanying interactive CD-ROM, which provides an explanation of the chemistry used in copper mining with a virtual tour of an operational copper mine. Unit III, An Alternative Method of Teaching Chemistry. Integrating Lecture and the Laboratory, is a project that addresses the domain of Research in Student Learning. Fundamental Chemistry was taught at Eastern Arizona College as an integrated lecture/laboratory course that met in two-hour blocks on Monday, Wednesday, and Friday. The students taking this integrated course were compared with students taking the traditional 1-hour lectures held on Monday, Wednesday, and Friday, with accompanying 3-hour lab on

In-Package Chemistry Abstraction

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

E. Thomas

2004-11-09

breached but the drip shield remains intact, so all of the seepage flow is diverted from the waste package. The chemistry from the vapor influx case is used to determine the stability of colloids and the solubility of radionuclides available for transport by diffusion, and to determine the degradation rates for the waste forms. TSPA-LA uses the water influx case for the seismic scenario, where the waste package has been breached and the drip shield has been damaged such that seepage flow is actually directed into the waste package. The chemistry from the water influx case that is a function of the flow rate is used to determine the stability of colloids and the solubility of radionuclides available for transport by diffusion and advection, and to determine the degradation rates for the CSNF and HLW glass. TSPA-LA does not use this model for the igneous scenario. Outputs from the in-package chemistry model implemented inside TSPA-LA include pH, ionic strength, and total carbonate concentration. These inputs to TSPA-LA will be linked to the following principle factors: dissolution rates of the CSNF and HLWG, dissolved concentrations of radionuclides, and colloid generation.« less

The cell-in-series method: A technique for accelerated electrode degradation in redox flow batteries

DOE PAGES

Pezeshki, Alan M.; Sacci, Robert L.; Veith, Gabriel M.; ...

2015-11-21

Here, we demonstrate a novel method to accelerate electrode degradation in redox flow batteries and apply this method to the all-vanadium chemistry. Electrode performance degradation occurred seven times faster than in a typical cycling experiment, enabling rapid evaluation of materials. This method also enables the steady-state study of electrodes. In this manner, it is possible to delineate whether specific operating conditions induce performance degradation; we found that both aggressively charging and discharging result in performance loss. Post-mortem x-ray photoelectron spectroscopy of the degraded electrodes was used to resolve the effects of state of charge (SoC) and current on the electrodemore » surface chemistry. For the electrode material tested in this work, we found evidence that a loss of oxygen content on the negative electrode cannot explain decreased cell performance. Furthermore, the effects of decreased electrode and membrane performance on capacity fade in a typical cycling battery were decoupled from crossover; electrode and membrane performance decay were responsible for a 22% fade in capacity, while crossover caused a 12% fade.« less

Chemistry Teachers' Knowledge and Application of Models

ERIC Educational Resources Information Center

Wang, Zuhao; Chi, Shaohui; Hu, Kaiyan; Chen, Wenting

2014-01-01

Teachers' knowledge and application of model play an important role in students' development of modeling ability and scientific literacy. In this study, we investigated Chinese chemistry teachers' knowledge and application of models. Data were collected through test questionnaire and analyzed quantitatively and qualitatively. The result indicated…

Development and validation of InnoQuant™, a sensitive human DNA quantitation and degradation assessment method for forensic samples using high copy number mobile elements Alu and SVA.

PubMed

Pineda, Gina M; Montgomery, Anne H; Thompson, Robyn; Indest, Brooke; Carroll, Marion; Sinha, Sudhir K

2014-11-01

There is a constant need in forensic casework laboratories for an improved way to increase the first-pass success rate of forensic samples. The recent advances in mini STR analysis, SNP, and Alu marker systems have now made it possible to analyze highly compromised samples, yet few tools are available that can simultaneously provide an assessment of quantity, inhibition, and degradation in a sample prior to genotyping. Currently there are several different approaches used for fluorescence-based quantification assays which provide a measure of quantity and inhibition. However, a system which can also assess the extent of degradation in a forensic sample will be a useful tool for DNA analysts. Possessing this information prior to genotyping will allow an analyst to more informatively make downstream decisions for the successful typing of a forensic sample without unnecessarily consuming DNA extract. Real-time PCR provides a reliable method for determining the amount and quality of amplifiable DNA in a biological sample. Alu are Short Interspersed Elements (SINE), approximately 300bp insertions which are distributed throughout the human genome in large copy number. The use of an internal primer to amplify a segment of an Alu element allows for human specificity as well as high sensitivity when compared to a single copy target. The advantage of an Alu system is the presence of a large number (>1000) of fixed insertions in every human genome, which minimizes the individual specific variation possible when using a multi-copy target quantification system. This study utilizes two independent retrotransposon genomic targets to obtain quantification of an 80bp "short" DNA fragment and a 207bp "long" DNA fragment in a degraded DNA sample in the multiplex system InnoQuant™. The ratio of the two quantitation values provides a "Degradation Index", or a qualitative measure of a sample's extent of degradation. The Degradation Index was found to be predictive of the observed loss

The Chemistry of Paper Preservation Part 4. Alkaline Paper.

ERIC Educational Resources Information Center

Carter, Henry A.

1997-01-01

Discusses the problem of the inherent instability of paper due to the presence of acids that catalyze the hydrolytic degradation of cellulose. Focuses on the chemistry involved in the sizing of both acid and alkaline papers and the types of fillers used. Discusses advantages and problems of alkaline papermaking. Contains 48 references. (JRH)

Indices of marine degradation: Their utility

NASA Astrophysics Data System (ADS)

O'Connor, Joel S.; Dewling, Richard T.

1986-05-01

Improved definition of pollutant effects in coastal marine environments is needed for two principal reasons. First, we need better understanding of how much pollutant degradation exists. Then we need more agreement on its social importance. Only then can society decide more consistently and equitably how much pollutant impact is tolerable and how much is too much. Scientists alone cannot define “unreasonable degradation” in a social sense, of course, but we can define quantitative scales of degradation and (together with nonscientists) specify ranges on these scales of “warning” and “alarm.” Rationales are presented for the urgency of these improvements. A strategy is described for indexing the socially relevant features of coastal environments at greatest risk from pollutants. The strategy differs from most existing environmental indices in several respects. Each of the 11 indices proposed is constrained by the following design criteria: (1) socially relevant, (2) simple and easily understood by laymen, (3) scientifically defensible, (4) quantitative and expressed probabilistically, and (5) acceptable in terms of cost. Evaluations of the draft indices are being completed by more than 50 collaborating scientists. One index is described to illustrate the utility of simple, socially relevant measures of marine degradation.

Coupling Processes Between Atmospheric Chemistry and Climate

NASA Technical Reports Server (NTRS)

Ko, Malcolm K. W.; Weisenstein, Debra; Shia, Run-Lie; Sze, N. D.

1998-01-01

The overall objective of this project is to improve the understanding of coupling processes between atmospheric chemistry and climate. Model predictions of the future distributions of trace gases in the atmosphere constitute an important component of the input necessary for quantitative assessments of global change. We will concentrate on the changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The key modeling tools for this work are the AER 2-dimensional chemistry-transport model, the AER 2-dimensional stratospheric sulfate model, and the AER three-wave interactive model with full chemistry. We will continue developing our three-wave model so that we can help NASA determine the strength and weakness of the next generation assessment models.

Coupling Processes Between Atmospheric Chemistry and Climate

NASA Technical Reports Server (NTRS)

Ko, M. K. W.; Weisenstein, Debra; Shia, Run-Lie; Sze, N. D.

1998-01-01

The overall objective of this project is to improve the understanding of coupling processes between atmospheric chemistry and climate. Model predictions of the future distributions of trace gases in the atmosphere constitute an important component of the input necessary for quantitative assessments of global change. We will concentrate on the changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The key modeling tools for this work are the AER two-dimensional chemistry-transport model, the AER two-dimensional stratospheric sulfate model, and the AER three-wave interactive model with full chemistry. We will continue developing our three-wave model so that we can help NASA determine the strength and weakness of the next generation assessment models.

Quantitative Analysis of Representations of Nature of Science in Nordic Upper Secondary School Textbooks Using Framework of Analysis Based on Philosophy of Chemistry

NASA Astrophysics Data System (ADS)

Vesterinen, Veli-Matti; Aksela, Maija; Lavonen, Jari

2013-07-01

The aim of this study was to assess how the different aspects of nature of science (NOS) were represented in Finnish and Swedish upper secondary school chemistry textbooks. The dimensions of NOS were analyzed from five popular chemistry textbook series. The study provides a quantitative method for analysis of representations of NOS in chemistry textbooks informed by domain-specific research on the philosophy of chemistry and chemical education. The selection of sections analyzed was based on the four themes of scientific literacy: knowledge of science, investigate nature of science, science as a way of thinking, and interaction of science, technology and society. For the second round of analysis the theme of science as a way of thinking was chosen for a closer inspection. The units of analysis in this theme were analyzed using seven domain specific dimensions of NOS: tentative, empirical, model-based, inferential, technological products, instrumentation, and social and societal dimensions. Based on the inter-rater agreement, the procedure and frameworks of analysis presented in this study was a reliable way of assessing the emphasis given to the domain specific aspects of NOS. All textbooks have little emphasis on the theme science as a way of thinking on a whole. In line with the differences of curricula, Swedish textbooks emphasize the tentative dimension of NOS more than Finnish textbooks. To provide teachers with a sufficiently wide variety of examples to discuss the different dimensions of NOS changes to the national core curricula are needed. Although changing the emphasis of the curricula would be the most obvious way to affect the emphasis of the textbooks, other efforts such as pre- and in-service courses for developing teachers understanding of NOS and pedagogic approaches for NOS instruction to their classroom practice might also be needed.

Biotechnological potential for degradation of isoprene: a review.

PubMed

Srivastva, Navnita; Singh, Abhishek; Bhardwaj, Yashpal; Dubey, Suresh Kumar

2018-06-01

Isoprene, the ubiquitous, highly emitted non-methane volatile hydrocarbon, affects atmospheric chemistry and human health, and this makes its removal from the contaminated environment imperative. Physicochemical degradation of isoprene is inefficient and generates secondary pollutants. Therefore, biodegradation can be considered as the safer approach for its efficient abatement. This review summarizes efforts in this regard that led to tracking the diverse groups of isoprene degrading bacteria such as Methanotrophs, Xanthobacter, Nocardia, Alcaligenes, Rhodococcus, Actinobacteria, Alphaproteobacteria, Bacteriodetes, Pseudomonas, and Alcanivorax. Biodegradation of isoprene by such bacteria in batch and continuous modes has been elaborated. The products, pathways and the key enzymes associated with isoprene biodegradation have also been presented.

Elementary and brief introduction of hadronic chemistry

NASA Astrophysics Data System (ADS)

Tangde, Vijay M.

2013-10-01

The discipline, today known as Quantum Chemistry for atomic and subatomic level interactions has no doubt made a significant historical contributions to the society. Despite of its significant achievements, quantum chemistry is also known for its widespread denial of insufficiencies it inherits. An Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustained research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures without any quantitative scientific contents. Professor R M Santilli first formulated the iso-, geno- and hyper-mathematics [1-4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli's mathematics[3-5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6-8]. In the present discussion, we have briefly reviewed the conceptual foundations of Hadronic Chemistry that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary and its application in development of a new chemical species called Magnecules.

Interactive degraded document enhancement and ground truth generation

NASA Astrophysics Data System (ADS)

Bal, G.; Agam, G.; Frieder, O.; Frieder, G.

2008-01-01

Degraded documents are frequently obtained in various situations. Examples of degraded document collections include historical document depositories, document obtained in legal and security investigations, and legal and medical archives. Degraded document images are hard to to read and are hard to analyze using computerized techniques. There is hence a need for systems that are capable of enhancing such images. We describe a language-independent semi-automated system for enhancing degraded document images that is capable of exploiting inter- and intra-document coherence. The system is capable of processing document images with high levels of degradations and can be used for ground truthing of degraded document images. Ground truthing of degraded document images is extremely important in several aspects: it enables quantitative performance measurements of enhancement systems and facilitates model estimation that can be used to improve performance. Performance evaluation is provided using the historical Frieder diaries collection.1

High School Chemistry Students' Scientific Epistemologies and Perceptions of the Nature of Laboratory Inquiry

ERIC Educational Resources Information Center

Vhurumuku, Elaosi

2011-01-01

This quantitative study investigated the relationship between Chemistry students' scientific epistemologies and their perceptions of the nature of laboratory inquiry. Seventy-two Advanced Level Chemistry students were surveyed. The students were sampled from twelve schools in three of Zimbabwe's nine administrative provinces. Students' scientific…

Film/chemistry selection for the earth resources technology satellite /ERTS/ ground data handling system

NASA Technical Reports Server (NTRS)

Shaffer, R. M.

1973-01-01

A detailed description is given of the methods of choose the duplication film and chemistry currently used in the NASA-ERTS Ground Data Handling System. The major ERTS photographic duplication goals are given as background information to justify the specifications for the desirable film/chemistry combination. Once these specifications were defined, a quantitative evaluation program was designed and implemented to determine if any recommended combinations could meet the ERTS laboratory specifications. The specifications include tone reproduction, granularity, MTF and cosmetic effects. A complete description of the techniques used to measure the test response variables is given. It is anticipated that similar quantitative techniques could be used on other programs to determine the optimum film/chemistry consistent with the engineering goals of the program.

Degradation of creatinine using boron-doped diamond electrode: Statistical modeling and degradation mechanism.

PubMed

Zhang, Zhefeng; Xian, Jiahui; Zhang, Chunyong; Fu, Degang

2017-09-01

This study investigated the degradation performance and mechanism of creatinine (a urine metabolite) with boron-doped diamond (BDD) anodes. Experiments were performed using a synthetic creatinine solution containing two supporting electrolytes (NaCl and Na 2 SO 4 ). A three-level central composite design was adopted to optimize the degradation process, a mathematical model was thus constructed and used to explore the optimum operating conditions. A maximum mineralization percentage of 80% following with full creatinine removal had been achieved within 120 min of electrolysis, confirming the strong oxidation capability of BDD anodes. Moreover, the results obtained suggested that supporting electrolyte concentration should be listed as one of the most important parameters in BDD technology. Lastly, based on the results from quantum chemistry calculations and LC/MS analyses, two different reaction pathways which governed the electrocatalytic oxidation of creatinine irrespective of the supporting electrolytes were identified. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ensuring Sustainability of Tomorrow through Green Chemistry Integrated with Sustainable Development Concepts (SDCS)

ERIC Educational Resources Information Center

Karpudewan, Mageswary; Ismail, Zurida; Roth, Wolff-Michael

2012-01-01

The purpose of this article is to describe a best practice: an approach to teaching chemistry that our quantitative research has shown to produce large differences between experimental and control groups in terms of achievement, pro-environmental attitudes, values, and motivation. Our interest in teaching chemistry by focusing on sustainable…

Quantitative Secretome Analysis of Activated Jurkat Cells Using Click Chemistry-Based Enrichment of Secreted Glycoproteins.

PubMed

Witzke, Kathrin E; Rosowski, Kristin; Müller, Christian; Ahrens, Maike; Eisenacher, Martin; Megger, Dominik A; Knobloch, Jürgen; Koch, Andrea; Bracht, Thilo; Sitek, Barbara

2017-01-06

Quantitative secretome analyses are a high-performance tool for the discovery of physiological and pathophysiological changes in cellular processes. However, serum supplements in cell culture media limit secretome analyses, but serum depletion often leads to cell starvation and consequently biased results. To overcome these limiting factors, we investigated a model of T cell activation (Jurkat cells) and performed an approach for the selective enrichment of secreted proteins from conditioned medium utilizing metabolic marking of newly synthesized glycoproteins. Marked glycoproteins were labeled via bioorthogonal click chemistry and isolated by affinity purification. We assessed two labeling compounds conjugated with either biotin or desthiobiotin and the respective secretome fractions. 356 proteins were quantified using the biotin probe and 463 using desthiobiotin. 59 proteins were found differentially abundant (adjusted p-value ≤0.05, absolute fold change ≥1.5) between inactive and activated T cells using the biotin method and 86 using the desthiobiotin approach, with 31 mutual proteins cross-verified by independent experiments. Moreover, we analyzed the cellular proteome of the same model to demonstrate the benefit of secretome analyses and provide comprehensive data sets of both. 336 proteins (61.3%) were quantified exclusively in the secretome. Data are available via ProteomeXchange with identifier PXD004280.

Photosensitized degradation of losartan potassium in an extemporaneous suspension formulation.

PubMed

Seburg, Randal A; Ballard, John M; Hwang, Tsang-Lin; Sullivan, Caitlin M

2006-10-11

During development of an extemporaneous suspension formulation for losartan potassium, previously unknown degradation products were observed in experimental suspensions prepared in a commercial cherry syrup vehicle. These degradates increased rapidly when analytical solutions prepared from that suspension were exposed to ambient light. The structures of the degradates were determined using a combination of preparative HPLC, LC/MS, (13)C and (1)H NMR (1D and 2D), and mechanistic chemistry. Each degradate results from destruction of the imidazole ring of losartan. Formation of the two major degradates required exposure to light (UV or visible) and the presence of oxygen. Experiments using Rose Bengal (a singlet oxygen photosensitizer) and 1,4-diazabicyclooctane (DABCO; a singlet oxygen quencher) established that the major photodegradates are formed via the intermediacy of singlet oxygen. The identity of the photosensitizer in the formulation was not unequivocally determined; however, the experiments implicated the artificial flavoring in fulfilling this role.

Organic chemistry and biology of the interstellar medium

NASA Technical Reports Server (NTRS)

Sagan, C.

1973-01-01

Interstellar organic chemistry is discussed as the field of study emerging from the discovery of microwave lines of formaldehyde and of hydrogen cyanide in the interstellar medium. The reliability of molecular identifications and comparisons of interstellar and cometary compounds are considered, along with the degradational origin of simple organics. It is pointed out that the contribution of interstellar organic chemistry to problems in biology is not substantive but analogical. The interstellar medium reveals the operation of chemical processes which, on earth and perhaps on vast numbers of planets throughout the universe, led to the origin of life, but the actual molecules of the interstellar medium are unlikely to play any significant biological role.

Quantitative Hyperspectral Reflectance Imaging

PubMed Central

Klein, Marvin E.; Aalderink, Bernard J.; Padoan, Roberto; de Bruin, Gerrit; Steemers, Ted A.G.

2008-01-01

Hyperspectral imaging is a non-destructive optical analysis technique that can for instance be used to obtain information from cultural heritage objects unavailable with conventional colour or multi-spectral photography. This technique can be used to distinguish and recognize materials, to enhance the visibility of faint or obscured features, to detect signs of degradation and study the effect of environmental conditions on the object. We describe the basic concept, working principles, construction and performance of a laboratory instrument specifically developed for the analysis of historical documents. The instrument measures calibrated spectral reflectance images at 70 wavelengths ranging from 365 to 1100 nm (near-ultraviolet, visible and near-infrared). By using a wavelength tunable narrow-bandwidth light-source, the light energy used to illuminate the measured object is minimal, so that any light-induced degradation can be excluded. Basic analysis of the hyperspectral data includes a qualitative comparison of the spectral images and the extraction of quantitative data such as mean spectral reflectance curves and statistical information from user-defined regions-of-interest. More sophisticated mathematical feature extraction and classification techniques can be used to map areas on the document, where different types of ink had been applied or where one ink shows various degrees of degradation. The developed quantitative hyperspectral imager is currently in use by the Nationaal Archief (National Archives of The Netherlands) to study degradation effects of artificial samples and original documents, exposed in their permanent exhibition area or stored in their deposit rooms. PMID:27873831

Designing degradable hydrogels for orthogonal control of cell microenvironments

PubMed Central

Kharkar, Prathamesh M.

2013-01-01

Degradable and cell-compatible hydrogels can be designed to mimic the physical and biochemical characteristics of native extracellular matrices and provide tunability of degradation rates and related properties under physiological conditions. Hence, such hydrogels are finding widespread application in many bioengineering fields, including controlled bioactive molecule delivery, cell encapsulation for controlled three-dimensional culture, and tissue engineering. Cellular processes, such as adhesion, proliferation, spreading, migration, and differentiation, can be controlled within degradable, cell-compatible hydrogels with temporal tuning of biochemical or biophysical cues, such as growth factor presentation or hydrogel stiffness. However, thoughtful selection of hydrogel base materials, formation chemistries, and degradable moieties is necessary to achieve the appropriate level of property control and desired cellular response. In this review, hydrogel design considerations and materials for hydrogel preparation, ranging from natural polymers to synthetic polymers, are overviewed. Recent advances in chemical and physical methods to crosslink hydrogels are highlighted, as well as recent developments in controlling hydrogel degradation rates and modes of degradation. Special attention is given to spatial or temporal presentation of various biochemical and biophysical cues to modulate cell response in static (i.e., non-degradable) or dynamic (i.e., degradable) microenvironments. This review provides insight into the design of new cell-compatible, degradable hydrogels to understand and modulate cellular processes for various biomedical applications. PMID:23609001

Systemic elastin degradation in chronic obstructive pulmonary disease.

PubMed

Maclay, John D; McAllister, David A; Rabinovich, Roberto; Haq, Imran; Maxwell, Scott; Hartland, Stephen; Connell, Martin; Murchison, John T; van Beek, Edwin J R; Gray, Robert D; Mills, Nicholas L; Macnee, William

2012-07-01

Development of emphysema and vascular stiffness in chronic obstructive pulmonary disease (COPD) may be due to a common mechanism of susceptibility to pulmonary and systemic elastin degradation. To investigate whether patients with COPD have evidence of systemic elastin degradation in the skin. The authors measured cutaneous elastin degradation using immunohistochemistry (percentage area of elastin fibres) in sun-exposed (exposed) and non-sun-exposed (non-exposed) skin biopsies in 16 men with COPD and 15 controls matched for age and cigarette smoke exposure. Quantitative PCR of matrix metalloproteinase (MMP)-2, -9, -12 and tissue inhibitor of metalloproteinase-1 mRNA and zymography for protein expression of MMP-2 and -9 were performed on homogenised skin. Arterial stiffness and emphysema severity were measured using carotid-femoral pulse wave velocity and quantitative CT scanning. Skin elastin degradation was greater in exposed and non-exposed skin of patients with COPD compared with controls (exposed, mean (SD); 43.5 (12.1)% vs 26.3 (6.9)%, p<0.001; non-exposed 22.4 (5.2)% vs 18.1 (4.3)%, p=0.02). Cutaneous expression of MMP-9 mRNA and proMMP-9 concentrations was increased in exposed skin of COPD patients (p=0.004 and p=0.02, respectively) and was also associated with increased skin elastin degradation (r=0.62, p<0.001 and r=0.47, p=0.01, respectively). In the entire cohort of ex-smokers, cutaneous elastin degradation was associated with emphysema severity, FEV(1) and pulse wave velocity. Patients with COPD have increased skin elastin degradation compared with controls, which is related to emphysema severity and arterial stiffness. Systemic elastin degradation due to increased proteolytic activity may represent a novel shared mechanism for the pulmonary, vascular and cutaneous features of COPD.

Students' Attitudes toward Chemistry Lessons: The Interaction Effect between Grade Level and Gender

ERIC Educational Resources Information Center

Cheung, Derek

2009-01-01

The purpose of this quantitative study was to examine the interaction effect between grade level and gender with respect to students' attitudes toward chemistry lessons taught in secondary schools. The sample consisted of 954 chemistry students in grades Secondary 4-7 (approximately 16-19 years of age) in Hong Kong. Students' attitudes were…

The Role of Green Chemistry Activities in Fostering Secondary School Students' Understanding of Acid-Base Concepts and Argumentation Skills

ERIC Educational Resources Information Center

Karpudewan, Mageswary; Roth, Wolff Michael; Sinniah, Devananthini

2016-01-01

In a world where environmental degradation is taking on alarming levels, understanding, and acting to minimize, the individual environmental impact is an important goal for many science educators. In this study, a green chemistry curriculum--combining chemistry experiments with everyday, environmentally friendly substances with a student-centered…

Modeling the Explicit Chemistry of Anthropogenic and Biogenic Organic Aerosols

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

Madronich, Sasha

2015-12-09

The atmospheric burden of Secondary Organic Aerosols (SOA) remains one of the most important yet uncertain aspects of the radiative forcing of climate. This grant focused on improving our quantitative understanding of SOA formation and evolution, by developing, applying, and improving a highly detailed model of atmospheric organic chemistry, the Generation of Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) model. Eleven (11) publications have resulted from this grant.

Experimental interstellar organic chemistry: Preliminary findings

NASA Technical Reports Server (NTRS)

Khare, B. N.; Sagan, C.

1971-01-01

In a simulation of interstellar organic chemistry in dense interstellar clouds or on grain surfaces, formaldehyde, water vapor, ammonia and ethane are deposited on a quartz cold finger and ultraviolet-irradiated in high vacuum at 77K. The HCHO photolytic pathway which produces an aldehyde radical and a superthermal hydrogen atom initiates solid phase chain reactions leading to a range of new compounds, including methanol, ethanol, acetaldehyde, acetonitrile, acetone, methyl formate, and possibly formic acid. Higher nitriles are anticipated. Genetic relations among these interstellar organic molecules (e.g., the Cannizzaro and Tischenko reactions) must exist. Some of them, rather than being synthesized from smaller molecules, may be degradation products of larger organic molecules, such as hexamethylene tetramine, which are candidate consitituents of the interstellar grains. The experiments reported here may also be relevant to cometary chemistry.

Micromotors for "Chemistry-on-the-Fly".

PubMed

Karshalev, Emil; Esteban-Fernández de Ávila, Berta; Wang, Joseph

2018-03-21

This perspective reviews mobile micro/nanomotor scaffolds for performing "chemistry-on-the-fly". Synthetic nano/micromotors offer great versatility and distinct advantages in diverse chemical applications owing to their efficient propulsion and facile surface functionalization that allow these mobile platforms to move and disperse reactive materials across the solution. Such dynamic microreactors have led to accelerated chemical processes, including organic pollutant degradation, metal chelation, biorecognition, redox chemistry, chemical "writing", and a variety of other chemical transformations. Representative examples of such micromotor-enhanced chemical reactions are discussed, focusing on the specific chemical role of these mobile microreactors. The advantages, gaps and limitations of using micromotors as mobile chemical platforms are discussed, concluding with the future prospects of this emerging field. We envision that artificial nano/micromotors will become attractive dynamic tools for speeding up and enhancing "on-the-fly" chemical reactions.

Degraded document image enhancement

NASA Astrophysics Data System (ADS)

Agam, G.; Bal, G.; Frieder, G.; Frieder, O.

2007-01-01

Poor quality documents are obtained in various situations such as historical document collections, legal archives, security investigations, and documents found in clandestine locations. Such documents are often scanned for automated analysis, further processing, and archiving. Due to the nature of such documents, degraded document images are often hard to read, have low contrast, and are corrupted by various artifacts. We describe a novel approach for the enhancement of such documents based on probabilistic models which increases the contrast, and thus, readability of such documents under various degradations. The enhancement produced by the proposed approach can be viewed under different viewing conditions if desired. The proposed approach was evaluated qualitatively and compared to standard enhancement techniques on a subset of historical documents obtained from the Yad Vashem Holocaust museum. In addition, quantitative performance was evaluated based on synthetically generated data corrupted under various degradation models. Preliminary results demonstrate the effectiveness of the proposed approach.

Degradable polymeric nanoparticles by aggregation of thermoresponsive polymers and ``click'' chemistry

NASA Astrophysics Data System (ADS)

Dworak, Andrzej; Lipowska, Daria; Szweda, Dawid; Suwinski, Jerzy; Trzebicka, Barbara; Szweda, Roza

2015-10-01

This study describes a novel approach to the preparation of crosslinked polymeric nanoparticles of controlled sizes that can be degraded under basic conditions. For this purpose thermoresponsive copolymers containing azide and alkyne functions were obtained by ATRP of di(ethylene glycol) monomethyl ether methacrylate (D) and 2-aminoethyl methacrylate (A) followed by post polymerization modification. The amino groups of A were reacted with propargyl chloroformate or 2-azido-1,3-dimethylimidazolinium hexafluorophosphate, which led to two types of copolymers. Increasing the temperature of aqueous solutions of the mixed copolymers caused their aggregation into spherical nanoparticles composed of both types of chains. Their dimensions could be controlled by changing the concentration and heating rate of the solutions. Covalent stabilization of aggregated chains was performed by a ``click'' reaction between the azide and alkyne groups. Due to the presence of a carbamate bond the nanoparticles undergo pH dependent degradation under mild basic conditions. The proposed procedure opens a route to new carriers for the controlled release of active species.This study describes a novel approach to the preparation of crosslinked polymeric nanoparticles of controlled sizes that can be degraded under basic conditions. For this purpose thermoresponsive copolymers containing azide and alkyne functions were obtained by ATRP of di(ethylene glycol) monomethyl ether methacrylate (D) and 2-aminoethyl methacrylate (A) followed by post polymerization modification. The amino groups of A were reacted with propargyl chloroformate or 2-azido-1,3-dimethylimidazolinium hexafluorophosphate, which led to two types of copolymers. Increasing the temperature of aqueous solutions of the mixed copolymers caused their aggregation into spherical nanoparticles composed of both types of chains. Their dimensions could be controlled by changing the concentration and heating rate of the solutions. Covalent

Multi-technique approach for qualitative and quantitative characterization of furazidin degradation kinetics under alkaline conditions.

PubMed

Bērziņš, Kārlis; Kons, Artis; Grante, Ilze; Dzabijeva, Diana; Nakurte, Ilva; Actiņš, Andris

2016-09-10

Degradation of drug furazidin was studied under different conditions of environmental pH (11-13) and temperature (30-60°C). The novel approach of hybrid hard- and soft-multivariate curve resolution-alternating least squares (HS-MCR-ALS) method was applied to UV-vis spectral data to determine a valid kinetic model and kinetic parameters of the degradation process. The system was found to be comprised of three main species and best characterized by two consecutive first-order reactions. Furazidin degradation rate was found to be highly dependent on the applied environmental conditions, showing more prominent differences between both degradation steps towards higher pH and temperature. Complimentary qualitative analysis of the degradation process was carried out using HPLC-DAD-TOF-MS. Based on the obtained chromatographic and mass spectrometric results, as well as additional computational analysis of the species (theoretical UV-vis spectra calculations utilizing TD-DFT methodology), the operating degradation mechanism was proposed to include formation of a 5-hydroxyfuran derivative, followed by complete hydrolysis of furazidin hydantoin ring. Copyright © 2016 Elsevier B.V. All rights reserved.

Thermal and Chemical Denaturation of "Bacillus circulans" Xylanase: A Biophysical Chemistry Laboratory Module

ERIC Educational Resources Information Center

Raabe, Richard; Gentile, Lisa

2008-01-01

A number of institutions have been, or are in the process of, modifying their biochemistry major to include some emphasis on the quantitative physical chemistry of biomolecules. Sometimes this is done as a replacement for part for the entire physical chemistry requirement, while at other institutions this is incorporated as a component into the…

Coupling Processes Between Atmospheric Chemistry and Climate

NASA Technical Reports Server (NTRS)

Ko, M. K. W.; Weisenstein, Debra; Shia, Run-Li; Sze, N. D.

1997-01-01

This is the first semi-annual report for NAS5-97039 summarizing work performed for January 1997 through June 1997. Work in this project is related to NAS1-20666, also funded by NASA ACMAP. The work funded in this project also benefits from work at AER associated with the AER three-dimensional isentropic transport model funded by NASA AEAP and the AER two-dimensional climate-chemistry model (co-funded by Department of Energy). The overall objective of this project is to improve the understanding of coupling processes between atmospheric chemistry and climate. Model predictions of the future distributions of trace gases in the atmosphere constitute an important component of the input necessary for quantitative assessments of global change. We will concentrate on the changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The key modeling tools for this work are the AER two-dimensional chemistry-transport model, the AER two-dimensional stratospheric sulfate model, and the AER three-wave interactive model with full chemistry.

Quantitative correlation between the void morphology of niobium-tin wires and their irreversible critical current degradation upon mechanical loading

DOE PAGES

Barth, Christian; Seeber, B.; Rack, A.; ...

2018-04-26

Understanding the critical current performance variation of Nb 3Sn superconducting wires under mechanical loading is a crucial issue for the design of next generation accelerator and fusion magnets. In these applications, the mechanical properties of the conductors may become a limiting factor due to the strong electro-magnetic forces resulting from the combination of large magnets and intense magnetic fields. In particular, the presence of voids in the superconducting filament structure, which are formed during the fabrication and the reaction heat treatment, determines localized stress concentrations and possibly the formation of cracks. In this work, we demonstrate a quantitative correlation betweenmore » the void morphology and the electro-mechanical limits measured on different Bronze route Nb 3Sn wires. Hot Isostatic Pressing (HIP) prior to the reaction heat treatment is utilized to partially eliminate the voids. The wires’ void distributions - with and without HIP treatment - are detected and statistically analyzed using high energy X-ray micro tomography. The stress concentration due to the shape and distribution of the voids as well as their impact on the electro-mechanical properties are determined through finite element method modeling. Lastly, the results are quantitatively correlated with the experimentally determined limits of the irreversible critical current degradation upon mechanical loading.« less

Quantitative correlation between the void morphology of niobium-tin wires and their irreversible critical current degradation upon mechanical loading

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

Barth, Christian; Seeber, B.; Rack, A.

Understanding the critical current performance variation of Nb 3Sn superconducting wires under mechanical loading is a crucial issue for the design of next generation accelerator and fusion magnets. In these applications, the mechanical properties of the conductors may become a limiting factor due to the strong electro-magnetic forces resulting from the combination of large magnets and intense magnetic fields. In particular, the presence of voids in the superconducting filament structure, which are formed during the fabrication and the reaction heat treatment, determines localized stress concentrations and possibly the formation of cracks. In this work, we demonstrate a quantitative correlation betweenmore » the void morphology and the electro-mechanical limits measured on different Bronze route Nb 3Sn wires. Hot Isostatic Pressing (HIP) prior to the reaction heat treatment is utilized to partially eliminate the voids. The wires’ void distributions - with and without HIP treatment - are detected and statistically analyzed using high energy X-ray micro tomography. The stress concentration due to the shape and distribution of the voids as well as their impact on the electro-mechanical properties are determined through finite element method modeling. Lastly, the results are quantitatively correlated with the experimentally determined limits of the irreversible critical current degradation upon mechanical loading.« less

Quantitative correlation between the void morphology of niobium-tin wires and their irreversible critical current degradation upon mechanical loading.

PubMed

Barth, C; Seeber, B; Rack, A; Calzolaio, C; Zhai, Y; Matera, D; Senatore, C

2018-04-26

Understanding the critical current performance variation of Nb 3 Sn superconducting wires under mechanical loading is a crucial issue for the design of next generation accelerator and fusion magnets. In these applications, the mechanical properties of the conductors may become a limiting factor due to the strong electro-magnetic forces resulting from the combination of large magnets and intense magnetic fields. In particular, the presence of voids in the superconducting filament structure, which are formed during the fabrication and the reaction heat treatment, determines localized stress concentrations and possibly the formation of cracks. In this work, we demonstrate a quantitative correlation between the void morphology and the electro-mechanical limits measured on different Bronze route Nb 3 Sn wires. Hot Isostatic Pressing (HIP) prior to the reaction heat treatment is utilized to partially eliminate the voids. The wires' void distributions - with and without HIP treatment - are detected and statistically analyzed using high energy X-ray micro tomography. The stress concentration due to the shape and distribution of the voids as well as their impact on the electro-mechanical properties are determined through finite element method modeling. Finally, the results are quantitatively correlated with the experimentally determined limits of the irreversible critical current degradation upon mechanical loading.

Quantum chemistry in environmental pesticide risk assessment.

PubMed

Villaverde, Juan J; López-Goti, Carmen; Alcamí, Manuel; Lamsabhi, Al Mokhtar; Alonso-Prados, José L; Sandín-España, Pilar

2017-11-01

The scientific community and regulatory bodies worldwide, currently promote the development of non-experimental tests that produce reliable data for pesticide risk assessment. The use of standard quantum chemistry methods could allow the development of tools to perform a first screening of compounds to be considered for the experimental studies, improving the risk assessment. This fact results in a better distribution of resources and in better planning, allowing a more exhaustive study of the pesticides and their metabolic products. The current paper explores the potential of quantum chemistry in modelling toxicity and environmental behaviour of pesticides and their by-products by using electronic descriptors obtained computationally. Quantum chemistry has potential to estimate the physico-chemical properties of pesticides, including certain chemical reaction mechanisms and their degradation pathways, allowing modelling of the environmental behaviour of both pesticides and their by-products. In this sense, theoretical methods can contribute to performing a more focused risk assessment of pesticides used in the market, and may lead to higher quality and safer agricultural products. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

A four-dimensional variational chemistry data assimilation scheme for Eulerian chemistry transport modeling

NASA Astrophysics Data System (ADS)

Eibern, Hendrik; Schmidt, Hauke

1999-08-01

The inverse problem of data assimilation of tropospheric trace gas observations into an Eulerian chemistry transport model has been solved by the four-dimensional variational technique including chemical reactions, transport, and diffusion. The University of Cologne European Air Pollution Dispersion Chemistry Transport Model 2 with the Regional Acid Deposition Model 2 gas phase mechanism is taken as the basis for developing a full four-dimensional variational data assimilation package, on the basis of the adjoint model version, which includes the adjoint operators of horizontal and vertical advection, implicit vertical diffusion, and the adjoint gas phase mechanism. To assess the potential and limitations of the technique without degrading the impact of nonperfect meteorological analyses and statistically not established error covariance estimates, artificial meteorological data and observations are used. The results are presented on the basis of a suite of experiments, where reduced records of artificial "observations" are provided to the assimilation procedure, while other "data" is retained for performance control of the analysis. The paper demonstrates that the four-dimensional variational technique is applicable for a comprehensive chemistry transport model in terms of computational and storage requirements on advanced parallel platforms. It is further shown that observed species can generally be analyzed, even if the "measurements" have unbiased random errors. More challenging experiments are presented, aiming to tax the skill of the method (1) by restricting available observations mostly to surface ozone observations for a limited assimilation interval of 6 hours and (2) by starting with poorly chosen first guess values. In this first such application to a three-dimensional chemistry transport model, success was also achieved in analyzing not only observed but also chemically closely related unobserved constituents.

Understanding Microbial Sensing in Inflammatory Bowel Disease Using Click Chemistry

DTIC Science & Technology

2017-10-01

pathogens and commensals. However, the technology available to track these molecules in host cells and tissues remains primitive. To address this...live, luminal bacteria into specific host intestinal immune cells and their subsequent degradation in host phagocytes. Notably, this approach also...click-chemistry, bacterial cell wall, bacterial outer membrane, peptidoglycan, lipopolysaccharide, endotoxin, capsular polysaccharide, inflammatory

Generalized Subset Designs in Analytical Chemistry.

PubMed

Surowiec, Izabella; Vikström, Ludvig; Hector, Gustaf; Johansson, Erik; Vikström, Conny; Trygg, Johan

2017-06-20

Design of experiments (DOE) is an established methodology in research, development, manufacturing, and production for screening, optimization, and robustness testing. Two-level fractional factorial designs remain the preferred approach due to high information content while keeping the number of experiments low. These types of designs, however, have never been extended to a generalized multilevel reduced design type that would be capable to include both qualitative and quantitative factors. In this Article we describe a novel generalized fractional factorial design. In addition, it also provides complementary and balanced subdesigns analogous to a fold-over in two-level reduced factorial designs. We demonstrate how this design type can be applied with good results in three different applications in analytical chemistry including (a) multivariate calibration using microwave resonance spectroscopy for the determination of water in tablets, (b) stability study in drug product development, and (c) representative sample selection in clinical studies. This demonstrates the potential of generalized fractional factorial designs to be applied in many other areas of analytical chemistry where representative, balanced, and complementary subsets are required, especially when a combination of quantitative and qualitative factors at multiple levels exists.

An interpenetrating HA/G/CS biomimic hydrogel via Diels-Alder click chemistry for cartilage tissue engineering.

PubMed

Yu, Feng; Cao, Xiaodong; Zeng, Lei; Zhang, Qing; Chen, Xiaofeng

2013-08-14

In order to mimic the natural cartilage extracellular matrix, a novel biological degradable interpenetrating network hydrogel was synthesized from the gelatin (G), hyaluronic acid (HA) and chondroitin sulfate (CS) by Diels-Alder "click" chemistry. HA was modified with furylamine and G was modified with furancarboxylic acid respectively. (1)H NMR spectra and elemental analysis showed that the substitution degrees of HA-furan and G-furan were 71.5% and 44.5%. Then the hydrogels were finally synthesized by cross-linking furan-modified HA and G derivatives with dimaleimide poly(ethylene glycol) (MAL-PEG-MAL). The mechanical and degradation properties of the hydrogels could be tuned simply through varying the molar ratio between furan and maleimide. Rheological, mechanical and degradation studies demonstrated that the Diels-Alder "click" chemistry is an efficient method for preparing high performance biological interpenetrating hydrogels. This biomimic hydrogel with improved mechanical properties could have great potential applications in cartilage tissue engineering. Copyright © 2013 Elsevier Ltd. All rights reserved.

Diagnosing Changes in Attitude in First-Year College Chemistry Students with a Shortened Version of Bauer's Semantic Differential

ERIC Educational Resources Information Center

Brandriet, Alexandra R.; Xu, Xiaoying; Bretz, Stacey Lowery; Lewis, Jennifer E.

2011-01-01

In this quantitative study, a shortened version of the Attitude toward the Subject of Chemistry Inventory (ASCI) created by Bauer (2008) was used to identify the chemistry attitudes of two populations of general chemistry students at two universities. The ASCIv2 contained just two factors from the original instrument. These factors measured…

Particulate matter formation from photochemical degradation of organophosphorus pesticides

NASA Astrophysics Data System (ADS)

Borrás, E.; Ródenas, M.; Vera, T.; Muñoz, A.

2015-12-01

Several experiments were performed in the European Photo-reactor - EUPHORE - for studying aerosol formation from organophosphorus pesticides such as diazinon, chlorpyrifos, chlorpyrifos-methyl and pirimiphos-methyl. The mass concentration yields obtained (Y) were in the range 5 - 44% for the photo-oxidation reactions in the presence and the absence of NOx. These results confirm the importance of studying pesticides as significant precursors of atmospheric particulate matter due to the serious risks associated to them. The studies based on the use of EUPHORE photoreactor provide useful data about atmospheric degradation processes of organophosphorus pesticides to the atmosphere. Knowledge of the specific degradation products, including the formation of secondary particulate matter, could complete the assessment of their potential impact, since the formation of those degradation products plays a significant role in the atmospheric chemistry, global climate change, radiative force, and are related to health effects.

Coupling Processes between Atmospheric Chemistry and Climate

NASA Technical Reports Server (NTRS)

Ko, M. K. W.; Weisenstein, Debra; Shia, Run-Lie; Sze, N. D.

1998-01-01

This is the third semi-annual report for NAS5-97039, covering January through June 1998. The overall objective of this project is to improve the understanding of coupling processes between atmospheric chemistry and climate. Model predictions of the future distributions of trace gases in the atmosphere constitute an important component of the input necessary for quantitative assessments of global change. We will concentrate on the changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The key modeling for this work are the AER 2-dimensional chemistry-transport model, the AER 2-dimensional stratospheric sulfate model, and the AER three-wave interactive model with full chemistry. We will continue developing our three-wave model so that we can help NASA determine the strengths and weaknesses of the next generation assessment models.

Sonochemical degradation of perfluorooctanesulfonate in aqueous film-forming foams.

PubMed

Vecitis, Chad D; Wang, Yajuan; Cheng, Jie; Park, Hyunwoong; Mader, Brian T; Hoffmann, Michael R

2010-01-01

Aqueous film-forming foams (AFFFs) are fire extinguishing agents developed by the Navy to quickly and effectively combat fires occurring close to explosive materials and are utilized today at car races, airports, oil refineries, and military locations. Fluorochemical (FC) surfactants represent 1-5% of the AFFF composition, which impart properties such as high spreadability, negligible fuel diffusion, and thermal stability to the foam. FC's are oxidatively recalcitrant, persistent in the environment, and have been detected in groundwater at AFFF training sites. Ultrasonic irradiation of aqueous FCs has been reported to degrade and subsequently mineralize the FC surfactants perfluorooctanoate (PFOA) and perfluorooctanesulfonate (PFOS). Here we present results of the sonochemical degradation of aqueous dilutions of FC-600, a mixture of hydrocarbon (HC) and fluorochemical components including cosolvents, anionic hydrocarbon surfactants, fluorinated amphiphilic surfactants, anionic fluorinated surfactants, and thickeners such as starch. The primary FC surfactant in FC-600, PFOS, was sonolytically degraded over a range of FC-600 aqueous dilutions, 65 ppb < [PFOS]i < 13100 ppb. Sonochemical PFOS-AFFF decomposition rates, RAFFF-PFOS, are similar to PFOS-Milli-Q rates, RMQ-PFOS, indicating that the AFFF matrix only had a minor effect on the sonochemical degradation rate, 0.5 < RAFFF-PFOS/RMQ-PFOS < 2.0, even though the total organic concentration was 50 times the PFOS concentration, [Org]tot/[PFOS] 50, consistent with the superior FC surfactant properties. Sonochemical sulfate production is quantitative, delta[SO42-]/delta[PFOS] > or = 1, indicating that bubble-water interfacial pyrolytic cleavage of the C-S bond in PFOS is the initial degradation step, in agreement with previous studies done in Milli-Q water. Sonochemical fluoride production is significantly below quantitative expectations, delta[F-]/delta[PFOS] 4 vs 17, suggesting that in the AFFF matrix, PFOS

Visualization of Problem Solving Related to the Quantitative Composition of Solutions in the Dynamic "GeoGebra" Environment

ERIC Educational Resources Information Center

Kostic, V. Dj.; Jovanovic, V. P. Stankov; Sekulic, T. M.; Takaci, Dj. B.

2016-01-01

Problem solving in the field of quantitative composition of solutions (QCS), expressed as mass share and molar concentration, is essential for chemistry students. Since successful chemistry education is based on different mathematical contents, it is important to be proficient in both mathematical and chemistry concepts as well as interconnections…

Understanding Microbial Sensing in Inflammatory Bowel Disease Using Click Chemistry

DTIC Science & Technology

2017-10-01

both pathogens and commensals. However, the technology available to track these molecules in host cells and tissues remains primitive. To address this...from live, luminal bacteria into specific host intestinal immune cells and their subsequent degradation in host phagocytes. Notably, this approach...Bioorthogonal click-chemistry, bacterial cell wall, bacterial outer membrane, peptidoglycan, lipopolysaccharide, endotoxin, capsular polysaccharide

A validated stability-indicating RP-HPLC method for levofloxacin in the presence of degradation products, its process related impurities and identification of oxidative degradant.

PubMed

Lalitha Devi, M; Chandrasekhar, K B

2009-12-05

The objective of current study was to develop a validated specific stability indicating reversed-phase liquid chromatographic method for the quantitative determination of levofloxacin as well as its related substances determination in bulk samples, pharmaceutical dosage forms in the presence of degradation products and its process related impurities. Forced degradation studies were performed on bulk sample of levofloxacin as per ICH prescribed stress conditions using acid, base, oxidative, water hydrolysis, thermal stress and photolytic degradation to show the stability indicating power of the method. Significant degradation was observed during oxidative stress and the degradation product formed was identified by LCMS/MS, slight degradation in acidic stress and no degradation was observed in other stress conditions. The chromatographic method was optimized using the samples generated from forced degradation studies and the impurity spiked solution. Good resolution between the peaks corresponds to process related impurities and degradation products from the analyte were achieved on ACE C18 column using the mobile phase consists a mixture of 0.5% (v/v) triethyl amine in sodium dihydrogen orthophosphate dihydrate (25 mM; pH 6.0) and methanol using a simple linear gradient. The detection was carried out at 294 nm. The limit of detection and the limit of quantitation for the levofloxacin and its process related impurities were established. The stressed test solutions were assayed against the qualified working standard of levofloxacin and the mass balance in each case was in between 99.4 and 99.8% indicating that the developed LC method was stability indicating. Validation of the developed LC method was carried out as per ICH requirements. The developed LC method was found to be suitable to check the quality of bulk samples of levofloxacin at the time of batch release and also during its stability studies (long term and accelerated stability).

Photochemical Reactions of Tris (Oxalato) Iron (III): A First-Year Chemistry Experiment.

ERIC Educational Resources Information Center

Baker, A. D.; And Others

1980-01-01

Describes a first-year chemistry experiment that illustrates the fundamental concepts of a photoinduced reaction. Qualitative and quantitative parts of the photoreduction of potassium ferrioxalate are detailed. (CS)

Representational Technologies and Learner Problem-Solving Strategies in Chemistry

ERIC Educational Resources Information Center

McCollum, Brett; Sepulveda, Ana; Moreno, Yuritzel

2016-01-01

Learning within the sciences is often considered through a quantitative lens, but acquiring proficiency with the symbolic representations in chemistry is arguably more akin to language learning. Representational competencies are central to successful communication of chemical information including molecular composition, structure, and properties.…

Challenges and perspectives in quantitative NMR.

PubMed

Giraudeau, Patrick

2017-01-01

This perspective article summarizes, from the author's point of view at the beginning of 2016, the major challenges and perspectives in the field of quantitative NMR. The key concepts in quantitative NMR are first summarized; then, the most recent evolutions in terms of resolution and sensitivity are discussed, as well as some potential future research directions in this field. A particular focus is made on methodologies capable of boosting the resolution and sensitivity of quantitative NMR, which could open application perspectives in fields where the sample complexity and the analyte concentrations are particularly challenging. These include multi-dimensional quantitative NMR and hyperpolarization techniques such as para-hydrogen-induced polarization or dynamic nuclear polarization. Because quantitative NMR cannot be dissociated from the key concepts of analytical chemistry, i.e. trueness and precision, the methodological developments are systematically described together with their level of analytical performance. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Degradation of net primary production in a semiarid rangeland

NASA Astrophysics Data System (ADS)

Jackson, Hasan; Prince, Stephen D.

2016-08-01

Anthropogenic land degradation affects many biogeophysical processes, including reductions of net primary production (NPP). Degradation occurs at scales from small fields to continental and global. While measurement and monitoring of NPP in small areas is routine in some studies, for scales larger than 1 km2, and certainly global, there is no regular monitoring and certainly no attempt to measure degradation. Quantitative and repeatable techniques to assess the extent of deleterious effects and monitor changes are needed to evaluate its effects on, for example, economic yields of primary products such as crops, lumber, and forage, and as a measure of land surface properties which are currently missing from dynamic global vegetation models, assessments of carbon sequestration, and land surface models of heat, water, and carbon exchanges. This study employed the local NPP scaling (LNS) approach to identify patterns of anthropogenic degradation of NPP in the Burdekin Dry Tropics (BDT) region of Queensland, Australia, from 2000 to 2013. The method starts with land classification based on the environmental factors presumed to control (NPP) to group pixels having similar potential NPP. Then, satellite remotely sensing data were used to compare actual NPP with its potential. The difference in units of mass of carbon and percentage loss were the measure of degradation. The entire BDT (7.45 × 106 km2) was investigated at a spatial resolution of 250 × 250 m. The average annual reduction in NPP due to anthropogenic land degradation in the entire BDT was -2.14 MgC m-2 yr-1, or 17 % of the non-degraded potential, and the total reduction was -214 MgC yr-1. Extreme average annual losses of 524.8 gC m-2 yr-1 were detected. Approximately 20 % of the BDT was classified as "degraded". Varying severities and rates of degradation were found among the river basins, of which the Belyando and Suttor were highest. Interannual, negative trends in reductions of NPP occurred in 7 % of the

Service-Learning General Chemistry: Lead Paint Analyses

NASA Astrophysics Data System (ADS)

Kesner, Laya; Eyring, Edward M.

1999-07-01

Houses painted with lead-based paints are ubiquitous in the United States because the houses and the paint have not worn out two decades after federal regulations prohibited inclusion of lead in paint. Remodeling older homes thus poses a health threat for infants and small children living in those homes. In a service-learning general chemistry class, students disseminate information about this health threat in an older neighborhood. At some of the homes they collect paint samples that they analyze for lead both qualitatively and quantitatively. This service-learning experience generates enthusiasm for general chemistry through the process of working on a "real" problem. Sample collection familiarizes the students with the concept of "representative" sampling. The sample preparation for atomic absorption spectroscopic (AAS) analysis enhances their laboratory skills. The focus of this paper is on the mechanics of integrating this particular service project into the first-term of the normal general chemistry course.

Development and Implementation of a Series of Laboratory Field Trips for Advanced High School Students to Connect Chemistry to Sustainability

ERIC Educational Resources Information Center

Aubrecht, Katherine B.; Padwa, Linda; Shen, Xiaoqi; Bazargan, Gloria

2015-01-01

We describe the content and organization of a series of day-long field trips to a university for high school students that connect chemistry content to issues of sustainability. The seven laboratory activities are in the areas of environmental degradation, energy production, and green chemistry. The laboratory procedures have been modified from…

Unraveling the Reaction Chemistry of Icy Ocean World Surfaces

NASA Astrophysics Data System (ADS)

Hudson, R.; Loeffler, M. J.; Gerakines, P.

2017-12-01

The diverse endogenic chemistry of ocean worlds can be divided among interior, surface, and above-surface process, with contributions from exogenic agents such as solar, cosmic, and magnetospheric radiation. Bombardment from micrometeorites to comets also can influence chemistry by both delivering new materials and altering pre-existing ones, and providing energy to drive reactions. Geological processes further complicate the chemistry by transporting materials from one environment to another. In this presentation the focus will be on some of the thermally driven and radiation-induced changes expected from icy materials, primarily covalent and ionic compounds. Low-temperature conversions of a few relatively simple molecules into ions possessing distinct infrared (IR) features will be covered, with an emphasis on such features as might be identified through either orbiting spacecraft or landers. The low-temperature degradation of a few bioorganic molecules, such as DNA nucleobases and some common amino acids, will be used as examples of the more complex, and potentially misleading, chemistry expected for icy moons of the outer solar system. This work was supported by NASA's Emerging Worlds and Outer Planets Research programs, as well as the NASA Astrobiology Institute's Goddard Center for Astrobiology.

Potential Environmental Factors Affecting Oil-Degrading Bacterial Populations in Deep and Surface Waters of the Northern Gulf of Mexico

PubMed Central

Liu, Jiqing; Bacosa, Hernando P.; Liu, Zhanfei

2017-01-01

Understanding bacterial community dynamics as a result of an oil spill is important for predicting the fate of oil released to the environment and developing bioremediation strategies in the Gulf of Mexico. In this study, we aimed to elucidate the roles of temperature, water chemistry (nutrients), and initial bacterial community in selecting oil degraders through a series of incubation experiments. Surface (2 m) and bottom (1537 m) waters, collected near the Deepwater Horizon site, were amended with 200 ppm light Louisiana sweet crude oil and bacterial inoculums from surface or bottom water, and incubated at 4 or 24°C for 50 days. Bacterial community and residual oil were analyzed by pyrosequencing and gas chromatography-mass spectrometry (GC-MS), respectively. The results showed that temperature played a key role in selecting oil-degrading bacteria. Incubation at 4°C favored the development of Cycloclasticus, Pseudoalteromonas, Sulfitobacter, and Reinekea, while 24°C incubations enhanced Oleibacter, Thalassobius, Phaeobacter, and Roseobacter. Water chemistry and the initial community also had potential roles in the development of hydrocarbon-degrading bacterial communities. Pseudoalteromonas, Oleibacter, and Winogradskyella developed well in the nutrient-enriched bottom water, while Reinekea and Thalassobius were favored by low-nutrient surface water. We revealed that the combination of 4°C, crude oil and bottom inoculum was a key factor for the growth of Cycloclasticus, while the combination of surface inoculum and bottom water chemistry was important for the growth of Pseudoalteromonas. Moreover, regardless of the source of inoculum, bottom water at 24°C was a favorable condition for Oleibacter. Redundancy analysis further showed that temperature and initial community explained 57 and 19% of the variation observed, while oil and water chemistry contributed 14 and 10%, respectively. Overall, this study revealed the relative roles of temperature, water

Potential Environmental Factors Affecting Oil-Degrading Bacterial Populations in Deep and Surface Waters of the Northern Gulf of Mexico.

PubMed

Liu, Jiqing; Bacosa, Hernando P; Liu, Zhanfei

2016-01-01

Understanding bacterial community dynamics as a result of an oil spill is important for predicting the fate of oil released to the environment and developing bioremediation strategies in the Gulf of Mexico. In this study, we aimed to elucidate the roles of temperature, water chemistry (nutrients), and initial bacterial community in selecting oil degraders through a series of incubation experiments. Surface (2 m) and bottom (1537 m) waters, collected near the Deepwater Horizon site, were amended with 200 ppm light Louisiana sweet crude oil and bacterial inoculums from surface or bottom water, and incubated at 4 or 24°C for 50 days. Bacterial community and residual oil were analyzed by pyrosequencing and gas chromatography-mass spectrometry (GC-MS), respectively. The results showed that temperature played a key role in selecting oil-degrading bacteria. Incubation at 4°C favored the development of Cycloclasticus, Pseudoalteromonas , Sulfitobacter , and Reinekea , while 24°C incubations enhanced Oleibacter, Thalassobius, Phaeobacter, and Roseobacter. Water chemistry and the initial community also had potential roles in the development of hydrocarbon-degrading bacterial communities. Pseudoalteromonas , Oleibacter , and Winogradskyella developed well in the nutrient-enriched bottom water, while Reinekea and Thalassobius were favored by low-nutrient surface water. We revealed that the combination of 4°C, crude oil and bottom inoculum was a key factor for the growth of Cycloclasticus , while the combination of surface inoculum and bottom water chemistry was important for the growth of Pseudoalteromonas . Moreover, regardless of the source of inoculum, bottom water at 24°C was a favorable condition for Oleibacter. Redundancy analysis further showed that temperature and initial community explained 57 and 19% of the variation observed, while oil and water chemistry contributed 14 and 10%, respectively. Overall, this study revealed the relative roles of temperature, water

A transformative model for undergraduate quantitative biology education.

PubMed

Usher, David C; Driscoll, Tobin A; Dhurjati, Prasad; Pelesko, John A; Rossi, Louis F; Schleiniger, Gilberto; Pusecker, Kathleen; White, Harold B

2010-01-01

The BIO2010 report recommended that students in the life sciences receive a more rigorous education in mathematics and physical sciences. The University of Delaware approached this problem by (1) developing a bio-calculus section of a standard calculus course, (2) embedding quantitative activities into existing biology courses, and (3) creating a new interdisciplinary major, quantitative biology, designed for students interested in solving complex biological problems using advanced mathematical approaches. To develop the bio-calculus sections, the Department of Mathematical Sciences revised its three-semester calculus sequence to include differential equations in the first semester and, rather than using examples traditionally drawn from application domains that are most relevant to engineers, drew models and examples heavily from the life sciences. The curriculum of the B.S. degree in Quantitative Biology was designed to provide students with a solid foundation in biology, chemistry, and mathematics, with an emphasis on preparation for research careers in life sciences. Students in the program take core courses from biology, chemistry, and physics, though mathematics, as the cornerstone of all quantitative sciences, is given particular prominence. Seminars and a capstone course stress how the interplay of mathematics and biology can be used to explain complex biological systems. To initiate these academic changes required the identification of barriers and the implementation of solutions.

A Transformative Model for Undergraduate Quantitative Biology Education

PubMed Central

Driscoll, Tobin A.; Dhurjati, Prasad; Pelesko, John A.; Rossi, Louis F.; Schleiniger, Gilberto; Pusecker, Kathleen; White, Harold B.

2010-01-01

The BIO2010 report recommended that students in the life sciences receive a more rigorous education in mathematics and physical sciences. The University of Delaware approached this problem by (1) developing a bio-calculus section of a standard calculus course, (2) embedding quantitative activities into existing biology courses, and (3) creating a new interdisciplinary major, quantitative biology, designed for students interested in solving complex biological problems using advanced mathematical approaches. To develop the bio-calculus sections, the Department of Mathematical Sciences revised its three-semester calculus sequence to include differential equations in the first semester and, rather than using examples traditionally drawn from application domains that are most relevant to engineers, drew models and examples heavily from the life sciences. The curriculum of the B.S. degree in Quantitative Biology was designed to provide students with a solid foundation in biology, chemistry, and mathematics, with an emphasis on preparation for research careers in life sciences. Students in the program take core courses from biology, chemistry, and physics, though mathematics, as the cornerstone of all quantitative sciences, is given particular prominence. Seminars and a capstone course stress how the interplay of mathematics and biology can be used to explain complex biological systems. To initiate these academic changes required the identification of barriers and the implementation of solutions. PMID:20810949

Click chemistry in the Development of Contrast Agents for Magnetic Resonance Imaging

PubMed Central

Hapuarachchige, Sudath; Artemov, Dmitri

2016-01-01

Click chemistry provides fast, convenient, versatile and reliable chemical reactions that take place between pairs of functional groups of small molecules that can be purified without chromatographic methods. Due to the fast kinetics and low or no elimination of byproducts, click chemistry is a promising approach that is rapidly gaining acceptance in drug discovery, radiochemistry, bioconjugation, and nanoscience applications. Increasing use of click chemistry in synthetic procedures or as a bioconjugation technique in diagnostic imaging is occurring because click reactions are fast, provide a quantitative yield, and produce minimal amount of nontoxic byproducts. This review summarizes the recent application of click chemistry in magnetic resonance imaging and discusses the directions for applying novel click reactions and strategies for further improving MRI performance. PMID:27748712

Chemistry vs. Physics: A Comparison of How Biology Majors View Each Discipline

NASA Astrophysics Data System (ADS)

Perkins, K. K.; Barbera, J.; Adams, W. K.; Wieman, C. E.

2007-01-01

A student's beliefs about science and learning science may be more or less sophisticated depending on the specific science discipline. In this study, we used the physics and chemistry versions of the Colorado Learning Attitudes about Science Survey (CLASS) to measure student beliefs in the large, introductory physics and chemistry courses, respectively. We compare how biology majors — generally required to take both of the courses — view these two disciplines. We find that these students' beliefs are more sophisticated about physics (more like the experts in that discipline) than they are about chemistry. At the start of the term, the average % Overall Favorable score on the CLASS is 59% in physics and 53% in chemistry. The students' responses are statistically more expert-like in physics than in chemistry on 10 statements (P ⩽ 0.01), indicating that these students think chemistry is more about memorizing disconnected pieces of information and sample problems, and has less to do with the real world. In addition, these students' view of chemistry degraded over the course of the term. Their favorable scores shifted -5.7% and -13.5% in `Overall' and the `Real World Connection' category, respectively, in the physics course, which used a variety of research-based teaching practices, these scores shifted 0.0% and +0.3%, respectively. The chemistry shifts are comparable to those previously observed in traditional introductory physics courses.

Attitudes towards chemistry among engineering students

NASA Astrophysics Data System (ADS)

Olivo Delgado, Carlos J.

The attitudes towards chemistry of the engineering students enrolled in an introductory course at the Polytechnic University of Puerto Rico were explored (n = 115). A mixed methodology was used in an exploratory-oriented research approach. The first stage consisted of the administration of a Likert scale attitudinal survey which was validated during the study's design process. The survey allowed collecting information about the participant's attitudes towards their personal opinion, their perspectives about peer's or relatives' opinion, relevant aspects of the discipline, and difficulty-increasing factors in the chemistry course. The scale internal reliability was measured in a pilot study with a convenience simple, obtaining an acceptable coefficient (Cronbach alpha = 0.731). Survey results evidenced a mainly neutral attitude towards the chemistry course, not highly negative or highly positive, in contrast with other studies in this field. On the other hand, the normality hypothesis was tested for the scores obtained by participants in the survey. Although the pilot study sample had an approximately normal distribution, the scores in obtained by the participants in the survey failed the normality test criteria. The second stage of the study was accomplished using a case study. Among the survey participants, some students were invited to in-depth interviews to elucidate the reasons why they have certain attitudes towards chemistry. Study time, instructor, motivation, term of study, and course schedule are the factors that interviewees agreed as contributors to success or failure in the chemistry course. Interview's participants emphasized that study time is determinant to pass the class. This methodological approach, quantitative followed by qualitative, was useful in describing the attitudes towards chemistry among university students of engineering.

Quantitative Determination of Iron in Limonite Using Spectroscopic Methods with Senior and General Chemistry Students: Geology-Inspired Chemistry Lab Explorations

ERIC Educational Resources Information Center

Bopegedera, A. M. R. P.; Coughenour, Christopher L.; Oswalt, Andrew J.

2016-01-01

Limonite is the field term for a mixed assemblage of ferric oxyhydroxides, often containing nonferric silicate impurities. It is abundant on Earth's surface, possesses variable iron content, and is easily recognized by distinctive yellow and ochre hues. Limonite is a unique centerpiece for undergraduate chemistry laboratories because each sample…

Is microbiolgy an alternative route to photochemistry in atmospheric chemistry?

NASA Astrophysics Data System (ADS)

Vaitilingom, M.; Parazols, M.; Sancelme, M.; Deguillaume, L.; Mailhot, G.; Delort, A.-M.

2009-04-01

Until very recently scientists from atmospheric sciences focussed their studies on physical and chemical phenomena taking place in cloud water phase neglecting the presence of active microorganisms in this medium. For instance, considering atmospheric chemistry, solar light is considered as the predominant catalyser for chemical reactions occurring in the atmosphere. However recent studies show that living and active microorganisms, including bacteria, yeasts and fungi, are present in the atmospheric water phase and could play an active role in chemistry of clouds. Indeed living microorganisms are clearly biocatalysts which could transform organic compounds as an alternative route to photochemistry. The objective of our project is to bring answers to this new scientific question by a multidisciplinary approach involving atmospheric physicists, photochemists and microbiologists. Microorganisms have been isolated and identified in cloud water sampled at the puy de Dôme summit which is an atmospheric observatory and a European referenced site. Laboratory experiments were carried out to evaluate the potential of organic species (carboxylic acids) degradation by the photochemical or microbiological ways. The project was centred on few carboxylic acids among them succinic, acetic, formic and oxalic acids (the most important organic acids in cloud water sampled at Puy de Dôme). Degradation rates were measured during biodegradation alone (Pseudomonas syringae), photochemistry alone (hydrogen peroxide + light) and combing both processed using artificial reconstituted cloud water. Our first results show that the obtained degradation rates are in the range of order.

The Interaction Effects of Gender and Grade Level on Secondary School Students' Attitude towards Learning Chemistry

ERIC Educational Resources Information Center

Heng, Chua Kah; Karpudewan, Mageswary

2015-01-01

This quantitative study reports the effects of gender and grade level on secondary students' attitude towards chemistry lessons. For this purpose, the Attitude towards Chemistry Lessons Scale (ATCLS) was administered to 446 secondary school students between 16-19 years old. The ATCLS consists of four different subscales: liking for chemistry…

Experimental and Theoretical Studies of Atmosphereic Inorganic Chlorine Chemistry

NASA Technical Reports Server (NTRS)

Sander, Stanley P.; Friedl, Randall R.

1993-01-01

Over the last five years substantial progress has been made in defining the realm of new chlorine chemistry in the polar stratosphere. Application of existing experimental techniques to potentially important chlorine-containing compounds has yielded quantitative kinetic and spectroscopic data as well as qualitative mechanistic insights into the relevant reactions.

Effective passivation of exfoliated black phosphorus transistors against ambient degradation.

PubMed

Wood, Joshua D; Wells, Spencer A; Jariwala, Deep; Chen, Kan-Sheng; Cho, EunKyung; Sangwan, Vinod K; Liu, Xiaolong; Lauhon, Lincoln J; Marks, Tobin J; Hersam, Mark C

2014-12-10

Unencapsulated, exfoliated black phosphorus (BP) flakes are found to chemically degrade upon exposure to ambient conditions. Atomic force microscopy, electrostatic force microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and Fourier transform infrared spectroscopy are employed to characterize the structure and chemistry of the degradation process, suggesting that O2 saturated H2O irreversibly reacts with BP to form oxidized phosphorus species. This interpretation is further supported by the observation that BP degradation occurs more rapidly on hydrophobic octadecyltrichlorosilane self-assembled monolayers and on H-Si(111) versus hydrophilic SiO2. For unencapsulated BP field-effect transistors, the ambient degradation causes large increases in threshold voltage after 6 h in ambient, followed by a ∼ 10(3) decrease in FET current on/off ratio and mobility after 48 h. Atomic layer deposited AlOx overlayers effectively suppress ambient degradation, allowing encapsulated BP FETs to maintain high on/off ratios of ∼ 10(3) and mobilities of ∼ 100 cm(2) V(-1) s(-1) for over 2 weeks in ambient conditions. This work shows that the ambient degradation of BP can be managed effectively when the flakes are sufficiently passivated. In turn, our strategy for enhancing BP environmental stability will accelerate efforts to implement BP in electronic and optoelectronic applications.

Quantitative mass spectrometry: an overview

NASA Astrophysics Data System (ADS)

Urban, Pawel L.

2016-10-01

Mass spectrometry (MS) is a mainstream chemical analysis technique in the twenty-first century. It has contributed to numerous discoveries in chemistry, physics and biochemistry. Hundreds of research laboratories scattered all over the world use MS every day to investigate fundamental phenomena on the molecular level. MS is also widely used by industry-especially in drug discovery, quality control and food safety protocols. In some cases, mass spectrometers are indispensable and irreplaceable by any other metrological tools. The uniqueness of MS is due to the fact that it enables direct identification of molecules based on the mass-to-charge ratios as well as fragmentation patterns. Thus, for several decades now, MS has been used in qualitative chemical analysis. To address the pressing need for quantitative molecular measurements, a number of laboratories focused on technological and methodological improvements that could render MS a fully quantitative metrological platform. In this theme issue, the experts working for some of those laboratories share their knowledge and enthusiasm about quantitative MS. I hope this theme issue will benefit readers, and foster fundamental and applied research based on quantitative MS measurements. This article is part of the themed issue 'Quantitative mass spectrometry'.

Spectroscopic Studies of Pre-Biotic Carbon Chemistry

NASA Technical Reports Server (NTRS)

Blake, Geoffrey A.

2002-01-01

As described in the original proposal and in our progress reports, research in the Blake group supported by the Exobiology program seeks to understand the pre-biotic chemistry of carbon along with that of other first- and second-row elements from the earliest stages of star formation through the development of planetary systems. The major tool used is spectroscopy, and the program has observational, laboratory, and theoretical components. The observational and theoretical programs are concerned primarily with a quantitative assessment of the chemical budgets of the biogenic elements in star-forming molecular cloud cores, while the laboratory work is focused on the complex species that characterize the prebiotic chemistry of carbon. We outline below our results over the past two years acquired, in part, with Exobiology support.

Degradation of Akt using protein-catalyzed capture agents.

PubMed

Henning, Ryan K; Varghese, Joseph O; Das, Samir; Nag, Arundhati; Tang, Grace; Tang, Kevin; Sutherland, Alexander M; Heath, James R

2016-04-01

Abnormal signaling of the protein kinase Akt has been shown to contribute to human diseases such as diabetes and cancer, but Akt has proven to be a challenging target for drugging. Using iterative in situ click chemistry, we recently developed multiple protein-catalyzed capture (PCC) agents that allosterically modulate Akt enzymatic activity in a protein-based assay. Here, we utilize similar PCCs to exploit endogenous protein degradation pathways. We use the modularity of the anti-Akt PCCs to prepare proteolysis targeting chimeric molecules that are shown to promote the rapid degradation of Akt in live cancer cells. These novel proteolysis targeting chimeric molecules demonstrate that the epitope targeting selectivity of PCCs can be coupled with non-traditional drugging moieties to inhibit challenging targets. Copyright © 2016 European Peptide Society and John Wiley & Sons, Ltd.

Fitting It All In: Adapting a Green Chemistry Extraction Experiment for Inclusion in an Undergraduate Analytical Laboratory

ERIC Educational Resources Information Center

Buckley, Heather L.; Beck, Annelise R.; Mulvihill, Martin J.; Douskey, Michelle C.

2013-01-01

Several principles of green chemistry are introduced through this experiment designed for use in the undergraduate analytical chemistry laboratory. An established experiment of liquid CO2 extraction of D-limonene has been adapted to include a quantitative analysis by gas chromatography. This facilitates drop-in incorporation of an exciting…

Quantitative Analysis of Driving Factors of Grassland Degradation: A Case Study in Xilin River Basin, Inner Mongolia

PubMed Central

Xie, Yichun; Sha, Zongyao

2012-01-01

Current literature suggests that grassland degradation occurs in areas with poor soil conditions or noticeable environmental changes and is often a result of overgrazing or human disturbances. However, these views are questioned in our analyses. Based on the analysis of satellite vegetation maps from 1984, 1998, and 2004 for the Xilin River Basin, Inner Mongolia, China, and binary logistic regression (BLR) analysis, we observe the following: (1) grassland degradation is positively correlated with the growth density of climax communities; (2) our findings do not support a common notion that a decrease of biological productivity is a direct indicator of grassland degradation; (3) a causal relationship between grazing intensity and grassland degradation was not found; (4) degradation severity increased steadily towards roads but showed different trends near human settlements. This study found complex relationships between vegetation degradation and various microhabitat conditions, for example, elevation, slope, aspect, and proximity to water. PMID:22619613

EnviroLand: A Simple Computer Program for Quantitative Stream Assessment.

ERIC Educational Resources Information Center

Dunnivant, Frank; Danowski, Dan; Timmens-Haroldson, Alice; Newman, Meredith

2002-01-01

Introduces the Enviroland computer program which features lab simulations of theoretical calculations for quantitative analysis and environmental chemistry, and fate and transport models. Uses the program to demonstrate the nature of linear and nonlinear equations. (Author/YDS)

Dissociation of the Ethyl Radical: An Exercise in Computational Chemistry

ERIC Educational Resources Information Center

Nassabeh, Nahal; Tran, Mark; Fleming, Patrick E.

2014-01-01

A set of exercises for use in a typical physical chemistry laboratory course are described, modeling the unimolecular dissociation of the ethyl radical to form ethylene and atomic hydrogen. Students analyze the computational results both qualitatively and quantitatively. Qualitative structural changes are compared to approximate predicted values…

From supramolecular chemistry towards constitutional dynamic chemistry and adaptive chemistry.

PubMed

Lehn, Jean-Marie

2007-02-01

Supramolecular chemistry has developed over the last forty years as chemistry beyond the molecule. Starting with the investigation of the basis of molecular recognition, it has explored the implementation of molecular information in the programming of chemical systems towards self-organisation processes, that may occur either on the basis of design or with selection of their components. Supramolecular entities are by nature constitutionally dynamic by virtue of the lability of non-covalent interactions. Importing such features into molecular chemistry, through the introduction of reversible bonds into molecules, leads to the emergence of a constitutional dynamic chemistry, covering both the molecular and supramolecular levels. It considers chemical objects and systems capable of responding to external solicitations by modification of their constitution through component exchange or reorganisation. It thus opens the way towards an adaptive and evolutive chemistry, a further step towards the chemistry of complex matter.

Application of ion chemistry and the SIFT technique to the quantitative analysis of trace gases in air and on breath

NASA Astrophysics Data System (ADS)

Smith, David; Španěl, Patrik

. These results and those for banana and onion vapours and butane/air flame forcibly demonstrate the value and the scope of our Sift ion chemistry approach to the analysis of very complex gas mixtures, and that this method is accurately quantitative if the appropriate ion chemistry is properly understood.

Physics and Chemistry of Earth Materials

NASA Astrophysics Data System (ADS)

Navrotsky, Alexandra

1994-11-01

Stressing the fundamental solid state behavior of minerals, and emphasizing both theory and experiment, this text surveys the physics and chemistry of earth materials. The author begins with a systematic tour of crystal chemistry of both simple and complex structures (with completely new structural drawings) and discusses how to obtain structural and thermodynamic information experimentally. Dr. Navrotsky also reviews the quantitative concepts of chemical bonding--band theory, molecular orbit and ionic models. She then covers physical properties and relates microscopic features to macroscopic thermodynamic behavior and treats high pressure phase transitions, amorphous materials and solid state reactions. The author concludes with a look at the interface between mineral physics and materials science. Highly illustrated throughout, this book fills the gap between undergraduate texts and specialized review volumes and is appropriate for students and researchers in earth science and materials science.

Properties, performance and associated hazards of state-of-the-art durable water repellent (DWR) chemistry for textile finishing.

PubMed

Holmquist, H; Schellenberger, S; van der Veen, I; Peters, G M; Leonards, P E G; Cousins, I T

2016-05-01

Following the phase-out of long-chain per- and polyfluoroalkyl substances (PFASs), the textile industry had to find alternatives for side-chain fluorinated polymer based durable water repellent (DWR) chemistries that incorporated long perfluoroalkyl side chains. This phase-out and subsequent substitution with alternatives has resulted in a market where both fluorinated and non-fluorinated DWRs are available. These DWR alternatives can be divided into four broad groups that reflect their basic chemistry: side-chain fluorinated polymers, silicones, hydrocarbons and other chemistries (includes dendrimer and inorganic nanoparticle chemistries). In this critical review, the alternative DWRs are assessed with regards to their structural properties and connected performance, loss and degradation processes resulting in diffuse environmental emissions, and hazard profiles for selected emitted substances. Our review shows that there are large differences in performance between the alternative DWRs, most importantly the lack of oil repellence of non-fluorinated alternatives. It also shows that for all alternatives, impurities and/or degradation products of the DWR chemistries are diffusively emitted to the environment. Our hazard ranking suggests that hydrocarbon based DWR is the most environmentally benign, followed by silicone and side-chain fluorinated polymer-based DWR chemistries. Industrial commitments to reduce the levels of impurities in silicone based and side-chain fluorinated polymer based DWR formulations will lower the actual risks. There is a lack of information on the hazards associated with DWRs, in particular for the dendrimer and inorganic nanoparticle chemistries, and these data gaps must be filled. Until environmentally safe alternatives, which provide the required performance, are available our recommendation is to choose DWR chemistry on a case-by-case basis, always weighing the benefits connected to increased performance against the risks to the

Quantitative Ultrasound-Assisted Extraction for Trace-Metal Determination: An Experiment for Analytical Chemistry

ERIC Educational Resources Information Center

Lavilla, Isela; Costas, Marta; Pena-Pereira, Francisco; Gil, Sandra; Bendicho, Carlos

2011-01-01

Ultrasound-assisted extraction (UAE) is introduced to upper-level analytical chemistry students as a simple strategy focused on sample preparation for trace-metal determination in biological tissues. Nickel extraction in seafood samples and quantification by electrothermal atomic absorption spectrometry (ETAAS) are carried out by a team of four…

Assessing Prospective Chemistry Teachers' Understanding of Gases through Qualitative and Quantitative Analyses of Their Concept Maps

ERIC Educational Resources Information Center

Kibar, Zeynep Bak; Yaman, Fatma; Ayas, Alipasa

2013-01-01

The use of concept mapping as a tool to measure the meaningful learning of students is the focus of this study. The study was carried out with 24 last year students (22 years old) from the Department of Chemistry Teaching at Fatih Faculty of Education, Karadeniz Technical University (KTU). Prospective Chemistry Teachers (PCT) were asked to create…

Surface-Sensitive and Bulk Studies on the Complexation and Photosensitized Degradation of Catechol by Iron(III) as a Model for Multicomponent Aerosol Systems

NASA Astrophysics Data System (ADS)

Al-abadleh, H. A.; Tofan-Lazar, J.; Situm, A.; Ruffolo, J.; Slikboer, S.

2013-12-01

Surface water plays a crucial role in facilitating or inhibiting surface reactions in atmospheric aerosols. Little is known about the role of surface water in the complexation of organic molecules to transition metals in multicomponent aerosol systems. We will show results from real time diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments for the in situ complexation of catechol to Fe(III) and its photosensitized degradation under dry and humid conditions. Catechol was chosen as a simple model for humic-like substances (HULIS) in aerosols and aged polyaromatic hydrocarbons (PAH). It has also been detected in secondary organic aerosols (SOA) formed from the reaction of hydroxyl radicals with benzene. Given the importance of the iron content in aerosols and its biogeochemistry, our studies were conducted using FeCl3. For comparison, these surface-sensitive studies were complemented with bulk aqueous ATR-FTIR, UV-vis, and HPLC measurements for structural, quantitative and qualitative information about complexes in the bulk, and potential degradation products. The implications of our studies on understanding interfacial and condensed phase chemistry relevant to multicomponent aerosols, water thin islands on buildings, and ocean surfaces containing transition metals will be discussed.

Quantitative Susceptibility Mapping and R2* Measured Changes during White Matter Lesion Development in Multiple Sclerosis: Myelin Breakdown, Myelin Debris Degradation and Removal, and Iron Accumulation.

PubMed

Zhang, Y; Gauthier, S A; Gupta, A; Chen, W; Comunale, J; Chiang, G C-Y; Zhou, D; Askin, G; Zhu, W; Pitt, D; Wang, Y

2016-09-01

Quantitative susceptibility mapping and R2* are sensitive to myelin and iron changes in multiple sclerosis lesions. This study was designed to characterize lesion changes on quantitative susceptibility mapping and R2* at various gadolinium-enhancement stages. This study included 64 patients with MS with different enhancing patterns in white matter lesions: nodular, shell-like, nonenhancing < 1 year old, and nonenhancing 1-3 years old. These represent acute, late acute, early chronic, and late chronic lesions, respectively. Susceptibility values measured on quantitative susceptibility mapping and R2* values were compared among the 4 lesion types. Their differences were assessed with a generalized estimating equation, controlling for Expanded Disability Status Scale score, age, and disease duration. We analyzed 203 lesions: 80 were nodular-enhancing, of which 77 (96.2%) were isointense on quantitative susceptibility mapping; 33 were shell-enhancing, of which 30 (90.9%) were hyperintense on quantitative susceptibility mapping; and 49 were nonenhancing lesions < 1 year old and 41 were nonenhancing lesions 1-3 years old, all of which were hyperintense on quantitative susceptibility mapping. Their relative susceptibility/R2* values were 0.5 ± 4.4 parts per billion/-5.6 ± 2.9 Hz, 10.2 ± 5.4 parts per billion/-8.0 ± 2.6 Hz, 20.2 ± 7.8 parts per billion/-3.1 ± 2.3 Hz, and 33.2 ± 8.2 parts per billion/-2.0 ± 2.6 Hz, respectively, and were significantly different (P < .005). Early active MS lesions with nodular enhancement show R2* decrease but no quantitative susceptibility mapping change, reflecting myelin breakdown; late active lesions with peripheral enhancement show R2* decrease and quantitative susceptibility mapping increase in the lesion center, reflecting further degradation and removal of myelin debris; and early or late chronic nonenhancing lesions show both quantitative susceptibility mapping and R2* increase, reflecting iron accumulation. © 2016 by

Material State Awareness for Composites Part II: Precursor Damage Analysis and Quantification of Degraded Material Properties Using Quantitative Ultrasonic Image Correlation (QUIC)

PubMed Central

Patra, Subir; Banerjee, Sourav

2017-01-01

Material state awareness of composites using conventional Nondestructive Evaluation (NDE) method is limited by finding the size and the locations of the cracks and the delamination in a composite structure. To aid the progressive failure models using the slow growth criteria, the awareness of the precursor damage state and quantification of the degraded material properties is necessary, which is challenging using the current NDE methods. To quantify the material state, a new offline NDE method is reported herein. The new method named Quantitative Ultrasonic Image Correlation (QUIC) is devised, where the concept of microcontinuum mechanics is hybrid with the experimentally measured Ultrasonic wave parameters. This unique combination resulted in a parameter called Nonlocal Damage Entropy for the precursor awareness. High frequency (more than 25 MHz) scanning acoustic microscopy is employed for the proposed QUIC. Eight woven carbon-fiber-reinforced-plastic composite specimens were tested under fatigue up to 70% of their remaining useful life. During the first 30% of the life, the proposed nonlocal damage entropy is plotted to demonstrate the degradation of the material properties via awareness of the precursor damage state. Visual proofs for the precursor damage states are provided with the digital images obtained from the micro-optical microscopy, the scanning acoustic microscopy and the scanning electron microscopy. PMID:29258256

QUANTITATIVE PCR OF SELECTED ASPERGILLUS, PENICILLIUM AND PAECILOMYCES SPECIES

EPA Science Inventory

A total of 65 quantitative PCR (QPCR) assays, incorporating fluorigenic 5' nuclease (TaqMan®) chemistry and directed at the nuclear ribosomal RNA operon, internal transcribed spacer regions (ITS1 or ITS2) was developed and tested for the detection of Aspergillus, Penicillium and ...

Using Cooperative Learning to Teach Chemistry: A Meta-Analytic Review

ERIC Educational Resources Information Center

Warfa, Abdi-Rizak M.

2016-01-01

A meta-analysis of recent quantitative studies that examine the effects of cooperative learning (CL) on achievement outcomes in chemistry is presented. Findings from 25 chemical education studies involving 3985 participants (N[subscript treatment] = 1,845; N[subscript control] = 2,140) and published since 2001 show positive association between…

Constitutional dynamic chemistry: bridge from supramolecular chemistry to adaptive chemistry.

PubMed

Lehn, Jean-Marie

2012-01-01

Supramolecular chemistry aims at implementing highly complex chemical systems from molecular components held together by non-covalent intermolecular forces and effecting molecular recognition, catalysis and transport processes. A further step consists in the investigation of chemical systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined functional supramolecular architectures by self-assembly from their components, thus behaving as programmed chemical systems. Supramolecular chemistry is intrinsically a dynamic chemistry in view of the lability of the interactions connecting the molecular components of a supramolecular entity and the resulting ability of supramolecular species to exchange their constituents. The same holds for molecular chemistry when the molecular entity contains covalent bonds that may form and break reversibility, so as to allow a continuous change in constitution by reorganization and exchange of building blocks. These features define a Constitutional Dynamic Chemistry (CDC) on both the molecular and supramolecular levels.CDC introduces a paradigm shift with respect to constitutionally static chemistry. The latter relies on design for the generation of a target entity, whereas CDC takes advantage of dynamic diversity to allow variation and selection. The implementation of selection in chemistry introduces a fundamental change in outlook. Whereas self-organization by design strives to achieve full control over the output molecular or supramolecular entity by explicit programming, self-organization with selection operates on dynamic constitutional diversity in response to either internal or external factors to achieve adaptation.The merging of the features: -information and programmability, -dynamics and reversibility, -constitution and structural diversity, points to the emergence of adaptive and evolutive chemistry, towards a chemistry of complex matter.

Next Steps Forward in Understanding Martian Surface and Subsurface Chemistry

NASA Astrophysics Data System (ADS)

Carrier, Brandi L.

2017-09-01

The presence of oxidants such as hydrogen peroxide (H2O2) and perchlorate (ClO4-), which have been detected on Mars, has significant implications for chemistry and astrobiology. These oxidants can increase the reactivity of the Martian soil, accelerate the decomposition of organic molecules, and depress the freezing point of water. The study by Crandall et al. "Can Perchlorates be Transformed to Hydrogen Peroxide Products by Cosmic Rays on the Martian Surface" reveals a new formation mechanism by which hydrogen peroxide and other potential oxidants can be generated via irradiation of perchlorate by cosmic rays. This study represents an important next step in developing a full understanding of Martian surface and subsurface chemistry, particularly with respect to degradation of organic molecules and potential biosignatures.

Influence of macromer molecular weight and chemistry on poly(beta-amino ester) network properties and initial cell interactions.

PubMed

Brey, Darren M; Erickson, Isaac; Burdick, Jason A

2008-06-01

A library of photocrosslinkable poly(beta-amino ester)s (PBAEs) was recently synthesized to expand the number of degradable polymers that can be screened and developed for a variety of biological applications. In this work, the influence of variations in macromer chemistry and macromer molecular weight (MMW) on network reaction behavior, overall bulk properties, and cell interactions were investigated. The MMW was controlled through alterations in the initial diacrylate to amine ratio (> or =1) during synthesis and decreased with an increase in this ratio. Lower MMWs reacted more quickly and to higher double bond conversions than higher MMWs, potentially due to the higher concentration of reactive groups. Additionally, the lower MMWs led to networks with higher compressive and tensile moduli that degraded slower than networks formed from higher MMWs because of an increase in the crosslinking density and decrease in the number of degradable units per crosslink. The adhesion and spreading of osteoblast-like cells on polymer films was found to be dependent on both the macromer chemistry and the MMW. In general, the number of cells was similar on networks formed from a range of MMWs, but the spreading was dramatically influenced by MMW (higher spreading with lower MMWs). These results illustrate further diversity in photocrosslinkable PBAE properties and that the chemistry and macromer structure must be carefully selected for the desired application. Copyright 2007 Wiley Periodicals, Inc.

The Relationship between Chemistry Self-Efficacy of South African First Year University Students and Their Academic Performance

ERIC Educational Resources Information Center

Ramnarain, Umesh; Ramaila, Sam

2018-01-01

This study investigated the self-efficacy of first-year Chemistry students at a South African university. The research involved a quantitative survey of 333 students using the College Chemistry Self-Efficacy Scale (CCSS) developed by Uzuntiryaki and Capa Aydin (2009). Descriptive statistics on data for the CCSS scales suggested that students have…

A Quantitative Method to Determine Preservice Chemistry Teachers' Perceptions of Chemical Representations

ERIC Educational Resources Information Center

Head, M. L.; Yoder, K.; Genton, E.; Sumperl, J.

2017-01-01

Chemical representations serve as a cornerstone to guide the teaching of chemistry concepts. The influence that a chemical representation has on instruction is largely dependent on how well the viewer interprets the information in the representation. Teachers serve as a guide to the students as they point out and make connections between the…

Comprehensive understanding of mole concept subject matter according to the tetrahedral chemistry education (empirical study on the first-year chemistry students of Technische Universität Dresden)

NASA Astrophysics Data System (ADS)

Prabowo, D. W.; Mulyani, S.; van Pée, K.-H.; Indriyanti, N. Y.

2018-05-01

This research aims to apprehend: (1) the shape of tetrahedral chemistry education which is called the future of chemistry education, (2) comprehensive understanding of chemistry first-year students of Technische Universität Dresden according to the chemistry education’s tetrahedral shape on mole concept subject matter. This research used quantitative and qualitative; paper and pencil test and interview. The former was conducted in the form of test containing objective test instrument. The results of this study are (1) learning based on tetrahedral shape of chemistry education put the chemical substance (macroscopic), symbolic representation (symbol), and its process (molecular) in the context of human beings (human element) by integrating content and context, without emphasis on one thing and weaken another, (2) first-year chemistry students of Technische Universität Dresden have comprehensively understood the mole concept associated with the context of everyday life, whereby students are able to find out macroscopic information from statements that are contextual to human life and then by using symbols and formulas are able to comprehend the molecular components as well as to interpret and analyse problems effectively.

Spectroscopic Studies of Pre-Biotic Carbon Chemistry

NASA Technical Reports Server (NTRS)

Blake, Geoffrey A.

2003-01-01

As described in the original proposal and in our progress reports, research in the Blake group supported by the Exobiology program seeks to understand the pre-biotic chemistry of carbon along with that of other first- and second-row elements from the earliest stages of star formation through the development of planetary systems. The major tool used is spectroscopy, and the program has observational, laboratory, and theoretical components. The observational and theoretical programs are concerned primarily with a quantitative assessment of the chemical budgets of the biogenic elements in the circumstellar environment of forming stars and planetary systems, while the laboratory work is focused on the complex species that characterize the pre-biotic chemistry of carbon. We outline below our results over the past year acquired, in part, with Exobiology support.

Quantification of air plasma chemistry for surface disinfection

NASA Astrophysics Data System (ADS)

Pavlovich, Matthew J.; Clark, Douglas S.; Graves, David B.

2014-12-01

Atmospheric-pressure air plasmas, created by a variety of discharges, are promising sources of reactive species for the emerging field of plasma biotechnology because of their convenience and ability to operate at ambient conditions. One biological application of ambient-air plasma is microbial disinfection, and the ability of air plasmas to decontaminate both solid surfaces and liquid volumes has been thoroughly established in the literature. However, the mechanism of disinfection and which reactive species most strongly correlate with antimicrobial effects are still not well understood. We describe quantitative gas-phase measurements of plasma chemistry via infrared spectroscopy in confined volumes, focusing on air plasma generated via surface micro-discharge (SMD). Previously, it has been shown that gaseous chemistry is highly sensitive to operating conditions, and the measurements we describe here extend those findings. We quantify the gaseous concentrations of ozone (O3) and nitrogen oxides (NO and NO2, or NOx) throughout the established ‘regimes’ for SMD air plasma chemistry: the low-power, ozone-dominated mode; the high-power, nitrogen oxides-dominated mode; and the intermediate, unstable transition region. The results presented here are in good agreement with previously published experimental studies of aqueous chemistry and parameterized models of gaseous chemistry. The principal finding of the present study is the correlation of bacterial inactivation on dry surfaces with gaseous chemistry across these time and power regimes. Bacterial decontamination is most effective in ‘NOx mode’ and less effective in ‘ozone mode’, with the weakest antibacterial effects in the transition region. Our results underscore the dynamic nature of air plasma chemistry and the importance of careful chemical characterization of plasma devices intended for biological applications.

A Degree Is Not Enough: A Quantitative Study of Aspects of Pre-Service Science Teachers' Chemistry Content Knowledge

ERIC Educational Resources Information Center

Kind, Vanessa

2014-01-01

Aspects of chemistry content knowledge held by 265 UK-based pre-service teachers (PSTs) were probed using 28 diagnostic questions in five chemistry concept areas, "Particle theory and changes of state", "Mass conservation" (taught to 11-14-year-olds), and "Chemical bonding", "Mole calculations" and…

Paracetamol degradation in aqueous solution by non-thermal plasma

NASA Astrophysics Data System (ADS)

Baloul, Yasmine; Aubry, Olivier; Rabat, Hervé; Colas, Cyril; Maunit, Benoît; Hong, Dunpin

2017-08-01

This study deals with paracetamol degradation in water using a non-thermal plasma (NTP) created by a dielectric barrier discharge (DBD). The effects of the NTP operating conditions on the degradation were studied, showing that the treatment efficiency of the process was highly dependent on the electrical parameters and working gas composition in the reactor containing the aqueous solution. A conversion rate higher than 99% was reached with an energy yield of 12 g/kWh. High resolution mass spectrometry (HRMS) measurements showed that the main species produced in water during the process were nitrogen compounds, carboxylic acids and aromatic compounds. Contribution to the topical issue "The 15th International Symposium on High Pressure Low Temperature Plasma Chemistry (HAKONE XV)", edited by Nicolas Gherardi and Tomáš Hoder

Simultaneous assessment of phase chemistry, phase abundance and bulk chemistry with statistical electron probe micro-analyses: Application to cement clinkers

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

Wilson, William; Krakowiak, Konrad J.; Ulm, Franz-Josef, E-mail: ulm@mit.edu

2014-01-15

According to recent developments in cement clinker engineering, the optimization of chemical substitutions in the main clinker phases offers a promising approach to improve both reactivity and grindability of clinkers. Thus, monitoring the chemistry of the phases may become part of the quality control at the cement plants, along with the usual measurements of the abundance of the mineralogical phases (quantitative X-ray diffraction) and the bulk chemistry (X-ray fluorescence). This paper presents a new method to assess these three complementary quantities with a single experiment. The method is based on electron microprobe spot analyses, performed over a grid located onmore » a representative surface of the sample and interpreted with advanced statistical tools. This paper describes the method and the experimental program performed on industrial clinkers to establish the accuracy in comparison to conventional methods. -- Highlights: •A new method of clinker characterization •Combination of electron probe technique with cluster analysis •Simultaneous assessment of phase abundance, composition and bulk chemistry •Experimental validation performed on industrial clinkers.« less

Computational Chemistry and Lubrication

NASA Technical Reports Server (NTRS)

Zehe, Michael J.

1998-01-01

Members of NASA Lewis Research Center's Tribology and Surface Science Branch are applying high-level computational chemistry techniques to the development of new lubrication systems for space applications and for future advanced aircraft engines. The next generation of gas turbine engines will require a liquid lubricant to function at temperatures in excess of 350 C in oxidizing environments. Conventional hydrocarbon-based lubricants are incapable of operating in these extreme environments, but a class of compounds known as the perfluoropolyether (PFAE) liquids (see the preceding illustration) shows promise for such applications. These commercially available products are already being used as lubricants in conditions where low vapor pressure and chemical stability are crucial, such as in satellite bearings and composite disk platters. At higher temperatures, however, these compounds undergo a decomposition process that is assisted (catalyzed) by metal and metal oxide bearing surfaces. This decomposition process severely limits the applicability of PFAE's at higher temperatures. A great deal of laboratory experimentation has revealed that the extent of fluid degradation depends on the chemical properties of the bearing surface materials. Lubrication engineers would like to understand the chemical breakdown mechanism to design a less vulnerable PFAE or to develop a chemical additive to block this degradation.

Dominant petroleum hydrocarbon-degrading bacteria in the Archipelago Sea in South-West Finland (Baltic Sea) belong to different taxonomic groups than hydrocarbon degraders in the oceans.

PubMed

Reunamo, Anna; Riemann, Lasse; Leskinen, Piia; Jørgensen, Kirsten S

2013-07-15

The natural petroleum hydrocarbon degrading capacity of the Archipelago Sea water in S-W Finland was studied in a microcosm experiment. Pristine and previously oil exposed sites were examined. Bacterial community fingerprinting was performed using terminal restriction fragment length polymorphism (T-RFLP) and samples from selected microcosms were sequenced. The abundance of PAH degradation genes was measured by quantitative PCR. Bacterial communities in diesel exposed microcosms diverged from control microcosms during the experiment. Gram positive PAH degradation genes dominated at both sites in situ, whereas gram negative PAH degrading genes became enriched in diesel microcosms. The dominant bacterial groups after a 14 days of diesel exposure were different depending on the sampling site, belonging to the class Actinobacteria (32%) at a pristine site and Betaproteobacteria (52%) at a previously oil exposed site. The hydrocarbon degrading bacteria in the Baltic Sea differ from those in the oceans, where most hydrocarbon degraders belong to Gammaproteobacteria. Copyright © 2013 Elsevier Ltd. All rights reserved.

Evaluation of mean climate in a chemistry-climate model simulation

NASA Astrophysics Data System (ADS)

Hong, S.; Park, H.; Wie, J.; Park, R.; Lee, S.; Moon, B. K.

2017-12-01

Incorporation of the interactive chemistry is essential for understanding chemistry-climate interactions and feedback processes in climate models. Here we assess a newly developed chemistry-climate model (GRIMs-Chem), which is based on the Global/Regional Integrated Model system (GRIMs) including the aerosol direct effect as well as stratospheric linearized ozone chemistry (LINOZ). We conducted GRIMs-Chem with observed sea surface temperature during the period of 1979-2010, and compared the simulation results with observations and also with CMIP models. To measure the relative performance of our model, we define the quantitative performance metric using the Taylor diagram. This metric allow us to assess overall features in simulating multiple variables. Overall, our model better reproduce the zonal mean spatial pattern of temperature, horizontal wind, vertical motion, and relative humidity relative to other models. However, the model did not produce good simulations at upper troposphere (200 hPa). It is currently unclear which model processes are responsible for this. AcknowledgementsThis research was supported by the Korea Ministry of Environment (MOE) as "Climate Change Correspondence Program."

Chemical Degradation of the Cathodic Electrical Contact Between Carbon and Cast Iron in Aluminum Production Cells

NASA Astrophysics Data System (ADS)

Brassard, Martin; Désilets, Martin; Soucy, Gervais; Bilodeau, Jean-François; Forté, Martin

2017-06-01

The cathodic carbon to cast iron electrical contact degradation is one of the factors to consider in the cathode voltage drop (CVD) increase over the lifetime of aluminum production cells. Lab-scale experiments were carried out to study the cast iron to carbon interface chemical degradation and the impact of important cell parameters like temperature and bath chemistry. Laboratory degradation results were compared with industrial samples. A thermoelectric Ansys numerical model was then used to predict the effect of cast iron surface degradation over CVD. Results show that the aluminum formation on the cast iron surface and its subsequent diffusion creates an immiscible mixture of Fe-Al metal alloy and electrolytic bath. Disparities were also observed between industrial samples taken from two different technologies, suggesting that the degradation can be slowed down. Thermoelectric calculations finally revealed that the impact of the contact resistance augmentation is by far greater than the cast iron degradation.

Analysis of Copper-Bearing Rocks and Minerals for Their Metal Content Using Visible Spectroscopy: A First Year Chemistry Laboratory Exploration

ERIC Educational Resources Information Center

Bopegedera, A. M. R. P.

2016-01-01

General chemistry and introductory chemistry students were presented with a laboratory exploration for the determination of the mass percent of copper in rock and mineral samples. They worked independently in the laboratory, which involved multiple lab (pipetting, preparing standard solutions by quantitative dilution, recording visible spectra…

Stable isotope dimethyl labelling for quantitative proteomics and beyond

PubMed Central

Hsu, Jue-Liang; Chen, Shu-Hui

2016-01-01

Stable-isotope reductive dimethylation, a cost-effective, simple, robust, reliable and easy-to- multiplex labelling method, is widely applied to quantitative proteomics using liquid chromatography-mass spectrometry. This review focuses on biological applications of stable-isotope dimethyl labelling for a large-scale comparative analysis of protein expression and post-translational modifications based on its unique properties of the labelling chemistry. Some other applications of the labelling method for sample preparation and mass spectrometry-based protein identification and characterization are also summarized. This article is part of the themed issue ‘Quantitative mass spectrometry’. PMID:27644970

Multiple mechanisms determine the order of APC/C substrate degradation in mitosis

PubMed Central

Lu, Dan; Hsiao, Jennifer Y.; Davey, Norman E.; Van Voorhis, Vanessa A.; Foster, Scott A.

2014-01-01

The ubiquitin protein ligase anaphase-promoting complex or cyclosome (APC/C) controls mitosis by promoting ordered degradation of securin, cyclins, and other proteins. The mechanisms underlying the timing of APC/C substrate degradation are poorly understood. We explored these mechanisms using quantitative fluorescence microscopy of GFP-tagged APC/CCdc20 substrates in living budding yeast cells. Degradation of the S cyclin, Clb5, begins early in mitosis, followed 6 min later by the degradation of securin and Dbf4. Anaphase begins when less than half of securin is degraded. The spindle assembly checkpoint delays the onset of Clb5 degradation but does not influence securin degradation. Early Clb5 degradation depends on its interaction with the Cdk1–Cks1 complex and the presence of a Cdc20-binding “ABBA motif” in its N-terminal region. The degradation of securin and Dbf4 is delayed by Cdk1-dependent phosphorylation near their Cdc20-binding sites. Thus, a remarkably diverse array of mechanisms generates robust ordering of APC/CCdc20 substrate destruction. PMID:25287299

Degradation of TBC Systems in Environments Relevant to Advanced Gas Turbines for IGCC Systems

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

Gleeson, Brian

2014-09-30

Air plasma sprayed (APS) thermal barrier coatings (TBCs) are used to provide thermal insulation for the hottest components in gas turbines. Zirconia stabilized with 7wt% yttria (7YSZ) is the most common ceramic top coat used for turbine blades. The 7YSZ coating can be degraded from the buildup of fly-ash deposits created in the power-generation process. Fly ash from an integrated gasification combined cycle (IGCC) system can result from coal-based syngas. TBCs are also exposed to harsh gas environments containing CO 2, SO 2, and steam. Degradation from the combined effects of fly ash and harsh gas atmospheres has the potentialmore » to severely limit TBC lifetimes. The main objective of this study was to use lab-scale testing to systematically elucidate the interplay between prototypical deposit chemistries (i.e., ash and its constituents, K 2SO 4, and FeS) and environmental oxidants (i.e., O 2, H 2O and CO 2) on the degradation behavior of advanced TBC systems. Several mechanisms of early TBC failure were identified, as were the specific fly-ash constituents responsible for degradation. The reactivity of MCrAlY bondcoats used in TBC systems was also investigated. The specific roles of oxide and sulfate components were assessed, together with the complex interplay between gas composition, deposit chemistry and alloy reactivity. Bondcoat composition design strategies to mitigate corrosion were established, particularly with regard to controlling phase constitution and the amount of reactive elements the bondcoat contains in order to achieve optimal corrosion resistance.« less

Differentiating climate- and human-induced drivers of grassland degradation in the Liao River Basin, China.

PubMed

He, Chunyang; Tian, Jie; Gao, Bin; Zhao, Yuanyuan

2015-01-01

Quantitatively distinguishing grassland degradation due to climatic variations from that due to human activities is of great significance to effectively governing degraded grassland and realizing sustainable utilization. The objective of this study was to differentiate these two types of drivers in the Liao River Basin during 1999-2009 using the residual trend (RESTREND) method and to evaluate the applicability of the method in semiarid and semihumid regions. The relationship between the normalized difference vegetation index (NDVI) and each climatic factor was first determined. Then, the primary driver of grassland degradation was identified by calculating the change trend of the normalized residuals between the observed and the predicted NDVI assuming that climate change was the only driver. We found that the RESTREND method can be used to quantitatively and effectively differentiate climate and human drivers of grassland degradation. We also found that the grassland degradation in the Liao River Basin was driven by both natural processes and human activities. The driving factors of grassland degradation varied greatly across the study area, which included regions having different precipitation and altitude. The degradation in the Horqin Sandy Land, with lower altitude, was driven mainly by human activities, whereas that in the Kungl Prairie, with higher altitude and lower precipitation, was caused primarily by climate change. Therefore, the drivers of degradation and local conditions should be considered in an appropriate strategy for grassland management to promote the sustainability of grasslands in the Liao River Basin.

The Role of Cations on the Performance of Lithium Ion Batteries: A Quantitative Analytical Approach.

PubMed

Nowak, Sascha; Winter, Martin

2018-02-20

Lithium ion batteries are nowadays the state-of-the-art power sources for portable electronic devices and the most promising candidate for energy storage in large-size batteries, e.g., pure and hybrid vehicles. However, the degradation of the cell components minimizes both storage and operation lifetime (calendar and cycle life), which is called aging. Due to the numerous different aging effects, in either the single constituents or their interactions with each other, many reports about methodologies and techniques, both electrochemical and analytical, can be found in the literature. However, quantitative data about the degradation effects were seldom stated. One important effect is the cation distribution and migration during operation. Metal dissolution and metal migration of the cathode and the corresponding deposition of these metals on the graphitic anode are known harmful degradation effects, especially for the formed solid electrolyte interphase on the surface of the anode. Depending on the applied cell chemistries and therefore the cathode material, different mechanisms were reported so far. For lithium manganese oxide based cells, the acidification of the electrolyte due to composition of the conduction salt is attributed as the main source of metal migration. Due to subsequent loss of manganese from the cathode, the overall performance of the cell is seriously impaired. Based on the obtained observations, this degradation mechanism was adapted to lithium nickel cobalt manganese based cells as main cause of the capacity fading. However, with the help a developed total X-ray fluorescence method and additional surface and electrolyte investigations, the proposed HF based mechanism was disproven. Instead, the migration was directly associated with material defects or mechanical spalling of the particles. Furthermore, with the obtained quantitative data of the migrated transition metals on the anode and separator, the contribution on the capacity fade was

Organic chemical degradation by remote study of the redox conditions

NASA Astrophysics Data System (ADS)

Fernandez, P. M.; Revil, A.; Binley, A. M.; Bloem, E.; French, H. K.

2014-12-01

Monitoring the natural (and enhanced) degradation of organic contaminants is essential for managing groundwater quality in many parts of the world. Contaminated sites often have limited access, hence non-intrusive methods for studying redox processes, which drive the degradation of organic compounds, are required. One example is the degradation of de-icing chemicals (glycols and organic salts) released to the soil near airport runways during winter. This issue has been broadly studied at Oslo airport, Gardermoen, Norway using intrusive and non-intrusive methods. Here, we report on laboratory experiments that aim to study the potential of using a self-potential, DCresistivity, and time-domain induced polarization for geochemical characterization of the degradation of Propylene Glycol (PG). PG is completely miscible in water, does not adsorb to soil particles and does not contribute to the electrical conductivity of the soil water. When the contaminant is in the unsaturated zone near the water table, the oxygen is quickly consumed and the gas exchange with the surface is insufficient to ensure aerobic degradation, which is faster than anaerobic degradation. Since biodegradation of PG is highly oxygen demanding, anaerobic pockets can exist causing iron and manganese reduction. It is hypothesised that nitrate would boost the degradation rate under such conditions. In our experiment, we study PG degradation in a sand tank. We provide the system with an electron highway to bridge zones with different redox potential. This geo-battery system is characterized by self-potential, resistivity and induced polarization anomalies. An example of preliminary results with self-potential at two different times of the experiment can be seen in the illustration. These will be supplemented with more direct information on the redox chemistry: in-situ water sampling, pH, redox potential and electrical conductivity measurements. In parallel, a series of batch experiments have been

Structure elucidation and degradation kinetic study of Ofloxacin using surface enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

El-Zahry, Marwa R.; Lendl, Bernhard

2018-03-01

A simple, fast and sensitive surface enhanced Raman spectroscopy (SERS) method for quantitative determination of fluoroquinolone antibiotic Ofloxacin (OFX) is presented. Also the stability behavior of OFX was investigated by monitoring the SERS spectra of OFX after various degradation processes. Acidic, basic and oxidative force degradation processes were applied at different time intervals. The forced degradation conditions were conducted and followed using SERS method utilizing silver nanoparticles (Ag NPs) as a SERS substrate. The Ag NPs colloids were prepared by reduction of silver nitrate using polyethyelene glycol (PEG) as a reducing and stabilizing agent. Validation tests were done in accordance with International Conference on Harmonization (ICH) guidelines. The calibration curve with a correlation coefficient (R = 0.9992) was constructed as a relationship between the concentration range of OFX (100-500 ng/ml) and SERS intensity at 1394 cm- 1 band. LOD and LOQ values were calculated and found to be 23.5 ng/ml and 72.6 ng/ml, respectively. The developed method was applied successfully for quantitation of OFX in different pharmaceutical dosage forms. Kinetic parameters were calculated including rate constant of the degradation of the studied antibiotic.

Development of a chlorine chemistry module for the Master Chemical Mechanism

NASA Astrophysics Data System (ADS)

Xue, L. K.; Saunders, S. M.; Wang, T.; Gao, R.; Wang, X. F.; Zhang, Q. Z.; Wang, W. X.

2015-06-01

The chlorine atom (Cl·) has a high potential to perturb atmospheric photochemistry by oxidizing volatile organic compounds (VOCs), but the exact role it plays in the polluted troposphere remains unclear. The Master Chemical Mechanism (MCM) is a near explicit mechanism that has been widely applied in the atmospheric chemistry research. While it addresses comprehensively the chemistry initiated by the OH, O3 and NO3 radicals, its representation of the Cl· chemistry is incomplete as it only considers the reactions for alkanes. In this paper, we develop a more comprehensive Cl· chemistry module that can be directly incorporated within the MCM framework. A suite of 199 chemical reactions describes the Cl·-initiated degradation of alkenes, aromatics, aldehydes, ketones, alcohols, and some organic acids and nitrates, along with the inorganic chemistry involving Cl· and its precursors. To demonstrate the potential influence of the new chemistry module, it was incorporated into a MCM box model to evaluate the impacts of nitryl chloride (ClNO2), a product of nocturnal halogen activation by nitrogen oxides (NOx), on the following-day's atmospheric photochemistry. With constraints of recent observations collected at a coastal site in Hong Kong, southern China, the modeling analyses suggest that the Cl· produced from ClNO2 photolysis may substantially enhance the atmospheric oxidative capacity, VOC oxidation, and O3 formation, particularly in the early morning period. The results demonstrate the critical need for photochemical models to include more fully chlorine chemistry in order to better understand the atmospheric photochemistry in polluted environments subject to intense emissions of NOx, VOCs and chlorine-containing constituents.

Development of a chlorine chemistry module for the Master Chemical Mechanism

NASA Astrophysics Data System (ADS)

Xue, L. K.; Saunders, S. M.; Wang, T.; Gao, R.; Wang, X. F.; Zhang, Q. Z.; Wang, W. X.

2015-10-01

The chlorine atom (Cl·) has a high potential to perturb atmospheric photochemistry by oxidizing volatile organic compounds (VOCs), but the exact role it plays in the polluted troposphere remains unclear. The Master Chemical Mechanism (MCM) is a near-explicit mechanism that has been widely applied in the atmospheric chemistry research. While it addresses comprehensively the chemistry initiated by the OH, O3 and NO3 radicals, its representation of the Cl· chemistry is incomplete as it only considers the reactions for alkanes. In this paper, we develop a more comprehensive Cl· chemistry module that can be directly incorporated within the MCM framework. A suite of 205 chemical reactions describes the Cl·-initiated degradation of alkenes, aromatics, alkynes, aldehydes, ketones, alcohols, and some organic acids and nitrates, along with the inorganic chemistry involving Cl· and its precursors. To demonstrate the potential influence of the new chemistry module, it was incorporated into a MCM box model to evaluate the impacts of nitryl chloride (ClNO2), a product of nocturnal halogen activation by nitrogen oxides (NOX), on the following day's atmospheric photochemistry. With constraints of recent observations collected at a coastal site in Hong Kong, southern China, the modeling analyses suggest that the Cl· produced from ClNO2 photolysis may substantially enhance the atmospheric oxidative capacity, VOC oxidation and O3 formation, particularly in the early morning period. The results demonstrate the critical need for photochemical models to include more detailed chlorine chemistry in order to better understand the atmospheric photochemistry in polluted environments subject to intense emissions of NOX, VOCs and chlorine-containing constituents.

Interfacial chemistry of a perfluoropolyether lubricant studied by XPS and TDS

NASA Technical Reports Server (NTRS)

Herrera-Fierro, Pilar C.; Jones, William R., Jr.; Pepper, Stephen V.

1992-01-01

The interfacial chemistry of Fomblin Z25, a commercial perfluoropolyether used as lubricant for space applications, with different metallic surfaces: 440C steel, gold and aluminum was studied. Thin layers of Fomblin Z25 were evaporated onto the oxide-free substrates and the interfacial chemistry studied using XPS and TDS. The reactions were induced by heating the substrate and by rubbing the substrate with a steel ball. Gold was found to be completely unreactive towards Fomblin at any temperature. Reaction at room temperature was observed only in the case of the aluminum substrate, the most reactive towards Fomblin Z25 of the substrates studied. It was necessary to heat the 440C steel substrate to 190 degree C to induce decomposition of the fluid. The degradation of the fluid was indicated by the formation of a debris layer at the interface. This debris layer, composed of inorganic and organic reaction products, when completely formed, passivated the surface from further attack to the Fromblin on top. The tribologically induced reactions on 440C steel formed a debris layer of similar chemical characteristics to the thermally induced layer. In all cases, the degradation reaction resulted in preferential consumption of the difluoroformyl carbon (-OCF2O-).

Rapid, Quantitative Assessment of Submerged Cultural Resource Degradation Using Repeat Video Surveys and Structure from Motion

NASA Astrophysics Data System (ADS)

Mertes, J. R.; Zant, C. N.; Gulley, J. D.; Thomsen, T. L.

2017-08-01

Monitoring, managing and preserving submerged cultural resources (SCR) such as shipwrecks can involve time consuming detailed physical surveys, expensive side-scan sonar surveys, the study of photomosaics and even photogrammetric analysis. In some cases, surveys of SCR have produced 3D models, though these models have not typically been used to document patterns of site degradation over time. In this study, we report a novel approach for quantifying degradation and changes to SCR that relies on diver-acquired video surveys, generation of 3D models from data acquired at different points in time using structure from motion, and differencing of these models. We focus our study on the shipwreck S.S. Wisconsin, which is located roughly 10.2 km southeast of Kenosha, Wisconsin, in Lake Michigan. We created two digital elevation models of the shipwreck using surveys performed during the summers of 2006 and 2015 and differenced these models to map spatial changes within the wreck. Using orthomosaics and difference map data, we identified a change in degradation patterns. Degradation was anecdotally believed to be caused by inward collapse, but maps indicated a pattern of outward collapse of the hull structure, which has resulted in large scale shifting of material in the central upper deck. In addition, comparison of the orthomosaics with the difference map clearly shows movement of objects, degradation of smaller pieces and in some locations, an increase in colonization of mussels.

Photo- and radiation chemical induced degradation of lignin model compounds.

PubMed

Lanzalunga; Bietti, M

2000-07-01

The basic mechanistic aspects of the photo- and radiation chemistry of lignin model compounds (LMCs) are discussed with respect to important processes related to lignin degradation. Several reactions occur after direct irradiation, photosensitized or radiation chemically induced oxidation of LMCs. Direct irradiation studies on LMCs have provided supportive evidence for the involvement of hydrogen abstraction reactions from phenols, beta-cleavage of substituted alpha-aryloxyacetophenones and cleavage of ketyl radicals (formed by photoreduction of aromatic ketones or hydrogen abstraction from arylglycerol beta-aryl ethers) in the photoyellowing of lignin rich pulps. Photosensitized and radiation chemically induced generation of reactive oxygen species and their reaction with LMCs are reviewed. The side-chain reactivity of LMC radical cations, generated by radiation chemical means, is also discussed in relation with the enzymatic degradation of lignin.

Chemistry Rocks: Redox Chemistry as a Geologic Tool.

ERIC Educational Resources Information Center

Burns, Mary Sue

2001-01-01

Applies chemistry to earth science, uses rocks in chemistry laboratories, and teaches about transition metal chemistry, oxidation states, and oxidation-reduction reactions from firsthand experiences. (YDS)

Trospospheric degradation chemistry of HCFC-123 (CF 3CHCl 2): A proposed replacement chlorofluorocarbon

NASA Astrophysics Data System (ADS)

Hayman, G. D.; Jenkin, M. E.; Murrells, T. P.; Johnson, C. E.

HCFC-123 has been proposed as a replacement for some of the fully halogenated chlorofluorocarbons and other chlorinated hydrocarbons, which are being phased out under the Montreal Protocol. This paper reports laboratory studies which were undertaken to determine kinetic and mechanistic parameters of reactions involved in the atmospheric degradation of HCFC-123 and the use of these parameters in a 2D global model of the troposphere to evaluate the yields of products formed in the degradation. The experimental studies have made use of the laser flash photolysis technique with time-resolved ultra-violet absorption spectroscopy for the kinetic measurements and broad-band ultra-violet absorption spectroscopy for product characterization. Rate coefficients have been determined for the self-reaction of CF 3CCl 2O 2 as (3.6±0.5)×10 -12 cm 3 mol -1 s -1 and for its reactions with HO 2 and NO as (1.9±0.7)×10 -12 cm 3 mol -1 s -1 and (1.5-2.0)×10 -11 cm 3 mol -1 s -1, respectively, at room temperature. Kinetic data have also been obtained for the reaction of CF 3CCl 2O 2 with C 2H 5O 2 and two channels have been identified; CF 3CCl 2+O 2+C 2H 5O 2→CF 3CCl 2O+C 2H 5O+ C 2H 5O+O 2, k=(9 +9-5)×10 13 cm 3 mol -1 s -1 and CF 3CCl 2O 2+C 2H 5O 2→CF 3CCl 2OH+CH 3CHO+O 2, k=(3.6±0.5)× 10 -12 cm 3 mol -1 s -1. Studies undertaken using the Cl-initiated oxidation of HCFC-123 suggest that trifluoroacetyl chloride, CF 3COCl, is the major product of the gas-phase degradation. The kinetic and mechanistic data have been used to formulate a chemical module of the degradation of HCFC-123 in the trophosphere. The module has been incorporated into a 2D model of the global troposphere so that the potential atmospheric impact of using HCFC-123 can be assessed.

Significant steps in the evolution of analytical chemistry--is the today's analytical chemistry only chemistry?

PubMed

Karayannis, Miltiades I; Efstathiou, Constantinos E

2012-12-15

In this review the history of chemistry and specifically the history and the significant steps of the evolution of analytical chemistry are presented. In chronological time spans, covering the ancient world, the middle ages, the period of the 19th century, and the three evolutional periods, from the verge of the 19th century to contemporary times, it is given information for the progress of chemistry and analytical chemistry. During this period, analytical chemistry moved gradually from its pure empirical nature to more rational scientific activities, transforming itself to an autonomous branch of chemistry and a separate discipline. It is also shown that analytical chemistry moved gradually from the status of exclusive serving the chemical science, towards serving, the environment, health, law, almost all areas of science and technology, and the overall society. Some recommendations are also directed to analytical chemistry educators concerning the indispensable nature of knowledge of classical analytical chemistry and the associated laboratory exercises and to analysts, in general, why it is important to use the chemical knowledge to make measurements on problems of everyday life. Copyright © 2012 Elsevier B.V. All rights reserved.

Combustion Chemistry of Fuels: Quantitative Speciation Data Obtained from an Atmospheric High-temperature Flow Reactor with Coupled Molecular-beam Mass Spectrometer.

PubMed

Köhler, Markus; Oßwald, Patrick; Krueger, Dominik; Whitside, Ryan

2018-02-19

This manuscript describes a high-temperature flow reactor experiment coupled to the powerful molecular beam mass spectrometry (MBMS) technique. This flexible tool offers a detailed observation of chemical gas-phase kinetics in reacting flows under well-controlled conditions. The vast range of operating conditions available in a laminar flow reactor enables access to extraordinary combustion applications that are typically not achievable by flame experiments. These include rich conditions at high temperatures relevant for gasification processes, the peroxy chemistry governing the low temperature oxidation regime or investigations of complex technical fuels. The presented setup allows measurements of quantitative speciation data for reaction model validation of combustion, gasification and pyrolysis processes, while enabling a systematic general understanding of the reaction chemistry. Validation of kinetic reaction models is generally performed by investigating combustion processes of pure compounds. The flow reactor has been enhanced to be suitable for technical fuels (e.g. multi-component mixtures like Jet A-1) to allow for phenomenological analysis of occurring combustion intermediates like soot precursors or pollutants. The controlled and comparable boundary conditions provided by the experimental design allow for predictions of pollutant formation tendencies. Cold reactants are fed premixed into the reactor that are highly diluted (in around 99 vol% in Ar) in order to suppress self-sustaining combustion reactions. The laminar flowing reactant mixture passes through a known temperature field, while the gas composition is determined at the reactors exhaust as a function of the oven temperature. The flow reactor is operated at atmospheric pressures with temperatures up to 1,800 K. The measurements themselves are performed by decreasing the temperature monotonically at a rate of -200 K/h. With the sensitive MBMS technique, detailed speciation data is acquired and

Visual in vivo degradation of injectable hydrogel by real-time and non-invasive tracking using carbon nanodots as fluorescent indicator.

PubMed

Wang, Lei; Li, Baoqiang; Xu, Feng; Li, Ying; Xu, Zheheng; Wei, Daqing; Feng, Yujie; Wang, Yaming; Jia, Dechang; Zhou, Yu

2017-11-01

Visual in vivo degradation of hydrogel by fluorescence-related tracking and monitoring is crucial for quantitatively depicting the degradation profile of hydrogel in a real-time and non-invasive manner. However, the commonly used fluorescent imaging usually encounters limitations, such as intrinsic photobleaching of organic fluorophores and uncertain perturbation of degradation induced by the change in molecular structure of hydrogel. To address these problems, we employed photoluminescent carbon nanodots (CNDs) with low photobleaching, red emission and good biocompatibility as fluorescent indicator for real-time and non-invasive visual in vitro/in vivo degradation of injectable hydrogels that are mixed with CNDs. The in vitro/in vivo toxicity results suggested that CNDs were nontoxic. The embedded CNDs in hydrogels did not diffuse outside in the absence of hydrogel degradation. We had acquired similar degradation kinetics (PBS-Enzyme) between gravimetric and visual determination, and established mathematical equation to quantitatively depict in vitro degradation profile of hydrogels for the predication of in vivo hydrogel degradation. Based on the in vitro data, we developed a visual platform that could quantitatively depict in vivo degradation behavior of new injectable biomaterials by real-time and non-invasive fluorescence tracking. This fluorescence-related visual imaging methodology could be applied to subcutaneous degradation of injectable hydrogel with down to 7 mm depth in small animal trials so far. This fluorescence-related visual imaging methodology holds great potentials for rational design and convenient in vivo screening of biocompatible and biodegradable injectable hydrogels in tissue engineering. Copyright © 2017 Elsevier Ltd. All rights reserved.

Quantifying the degradation of degradable implants and bone formation in the femoral condyle using micro-CT 3D reconstruction

PubMed Central

Xu, Yichi; Meng, Haoye; Yin, Heyong; Sun, Zhen; Peng, Jiang; Xu, Xiaolong; Guo, Quanyi; Xu, Wenjing; Yu, Xiaoming; Yuan, Zhiguo; Xiao, Bo; Wang, Cheng; Wang, Yu; Liu, Shuyun; Lu, Shibi; Wang, Zhaoxu; Wang, Aiyuan

2018-01-01

formation increased as the implant degraded. The findings concluded that micro-CT, which is useful for providing non-traumatic, in vivo, quantitative and precise data, has great value for exploring the degradation of implants and novel bone formation. PMID:29375677

Quantifying the degradation of degradable implants and bone formation in the femoral condyle using micro-CT 3D reconstruction.

PubMed

Xu, Yichi; Meng, Haoye; Yin, Heyong; Sun, Zhen; Peng, Jiang; Xu, Xiaolong; Guo, Quanyi; Xu, Wenjing; Yu, Xiaoming; Yuan, Zhiguo; Xiao, Bo; Wang, Cheng; Wang, Yu; Liu, Shuyun; Lu, Shibi; Wang, Zhaoxu; Wang, Aiyuan

2018-01-01

formation increased as the implant degraded. The findings concluded that micro-CT, which is useful for providing non-traumatic, in vivo , quantitative and precise data, has great value for exploring the degradation of implants and novel bone formation.

18O stable isotope labeling, quantitative model experiments, and molecular dynamics simulation studies on the trans-specific degradation of the bitter tasting iso-alpha-acids of beer.

PubMed

Intelmann, Daniel; Demmer, Oliver; Desmer, Nina; Hofmann, Thomas

2009-11-25

The typical bitterness of fresh beer is well-known to decrease in intensity and to change in quality with increasing age. This phenomenon was recently shown to be caused by the conversion of bitter tasting trans-iso-alpha-acids into lingering and harsh bitter tasting tri- and tetracyclic degradation products such as tricyclocohumol, tricyclocohumene, isotricyclocohumene, tetracyclocohumol, and epitetracyclocohumol. Interestingly, the formation of these compounds was shown to be trans-specific and the corresponding cis-iso-alpha-acids were found to be comparatively stable. Application of 18O stable isotope labeling as well as quantitative model studies combined with LC-MS/MS experiments, followed by computer-based molecular dynamics simulations revealed for the first time a conclusive mechanism explaining the stereospecific transformation of trans-iso-alpha-acids into the tri- and tetracyclic degradation products. This transformation was proposed to be induced by a proton-catalyzed carbon/carbon bond formation between the carbonyl atom C(1') of the isohexenoyl moiety and the alkene carbon C(2'') of the isoprenyl moiety of the trans-iso-alpha-acids.

Quantifying Osteogenic Cell Degradation of Silk Biomaterials

PubMed Central

Sengupta, Sejuti; Park, Sang-Hyug; Seok, Gil Eun; Patel, Atur; Numata, Keiji; Lu, Chia-Li; Kaplan, David L.

2010-01-01

The degradation of silk protein films by human mesenchymal stem cells (hMSCs), osteoblasts and osteoclasts, cells involved in osteogenic functions in normal and diseased bone, was assessed in vitro. The involvement of specific matrix metalloproteinases (MMPs) and integrin signaling in the degradation process was determined. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) were used to quantitatively compare degradation by the different cell types using surface patterned silk films. Osteoblasts and osteoclasts demonstrated significant degradation of the silk films in vitro in comparison to the hMSCs and the film controls without cells. The osteoclasts degraded the silk films the most and also generated the highest level of MMPs 1 and 2. The osteoblasts upregulated integrins α5 and β1 while the osteoclasts upregulated integrins α2 and β1. There was significant contrast in responses on the silk matrices between osteogenic cells vs undifferentiated hMSCs to illustrate in vitro the role of cell type on matrix remodeling. These are important issues in matching biomaterial matrix features and studies in vitro to remodeling in vivo, in both normal and disease tissue systems. Cell populations and niche factors impact tissue regeneration, wound healing and physiological state and the ability to better understand the role of different cell types is critical to overall regenerative outcomes. PMID:21105641

Influence of Constructivist Professional Development on Chemistry Content Knowledge and Scientific Model Development

ERIC Educational Resources Information Center

Khourey-Bowers, Claudia; Fenk, Christopher

2009-01-01

The purpose of this study was to explore the relationship between teachers' (N = 69) participation in constructivist chemistry professional development (PD) and enhancement of content (CK) and pedagogical content knowledge (PCK) (representational thinking and conceptual change strategies) and self-efficacy (PSTE). Quantitative measures assessed…

Quantitative proteomics identify an association between extracellular matrix degradation and immunopathology of genotype VII Newcastle disease virus in the spleen in chickens.

PubMed

Hu, Zenglei; Gu, Han; Hu, Jiao; Hu, Shunlin; Wang, Xiaoquan; Liu, Xiaowen; Jiao, Xinan; Liu, Xiufan

2018-06-15

Pathogenesis of genotype VII Newcastle disease virus (NDV) is characterized with remarkable immunopathology in the spleen in chickens. However, the mechanism for this unique pathological phenotype is not fully understood. Previous transcriptomics data showed that genotype VII NDV JS5/05 caused a greater downregulation of extracellular matrix (ECM) genes than genotype IV virus Herts/33 in the spleen. In this study, the role of ECM in pathology of genotype VII NDV was investigated using quantitative proteomics. Pathology studies showed that JS5/05 caused severe immunopathology characterized with remarkable necrosis in the spleen, whereas Herts/33 only induced mild pathological changes. The ECM was firstly enriched from the spleens and ECM proteins of different categories were identified by LC-MS/MS. Quantitative proteomic analysis showed that JS5/05 caused a significant disruption of ECM integrity and molecular composition compared to Herts/33. Particularly, JS5/05 induced a more remarkable collagen breakdown in the spleen compared to Herts/33. Moreover, matrix metalloproteinase (MMP)-13 and -14 were significantly upregulated by JS5/05 infection. KEGG pathway analysis suggested that differential regulation of ECM proteins by JS5/05 and Herts/33 may impact pathology through different pathways. Therefore, our results suggested that MMP upregulation and consequent ECM degradation contribute to immunopathology of genotype VII NDV in the spleen. Pathogenesis of genotype VII NDV is characterized with severe immunopathology in the spleen in chickens. Elucidating the mechanism of this pathology phenotype is critical to understand pathogenesis of genotype VII NDV. Here, we present the proteomic data of an important non-cellular compartment, the extracellular matrix (ECM), in the spleen from chickens infected with genotype VII and IV NDVs. Our results suggest that significant upregulation of matrix metalloproteinases by genotype VII NDV and consequent disruption of ECM

Synthetic modeling chemistry of iron-sulfur clusters in nitric oxide signaling.

PubMed

Fitzpatrick, Jessica; Kim, Eunsuk

2015-08-18

Nitric oxide (NO) is an important signaling molecule that is involved in many physiological and pathological functions. Iron-sulfur proteins are one of the main reaction targets for NO, and the [Fe-S] clusters within these proteins are converted to various iron nitrosyl species upon reaction with NO, of which dinitrosyl iron complexes (DNICs) are the most prevalent. Much progress has been made in identifying the origin of cellular DNIC generation. However, it is not well-understood which other products besides DNICs may form during [Fe-S] cluster degradation nor what effects DNICs and other degradation products can have once they are generated in cells. Even more elusive is an understanding of the manner by which cells cope with unwanted [Fe-S] modifications by NO. This Account describes our synthetic modeling efforts to identify cluster degradation products derived from the [2Fe-2S]/NO reaction in order to establish their chemical reactivity and repair chemistry. Our intent is to use the chemical knowledge that we generate to provide insight into the unknown biological consequences of cluster modification. Our recent advances in three different areas are described. First, new reaction conditions that lead to the formation of previously unrecognized products during the reaction of [Fe-S] clusters with NO are identified. Hydrogen sulfide (H2S), a gaseous signaling molecule, can be generated from the reaction between [2Fe-2S] clusters and NO in the presence of acid or formal H• (e(-)/H(+)) donors. In the presence of acid, a mononitrosyl iron complex (MNIC) can be produced as the major iron-containing product. Second, cysteine analogues can efficiently convert MNICs back to [2Fe-2S] clusters without the need for any other reagents. This reaction is possible for cysteine analogues because of their ability to labilize NO from MNICs and their capacity to undergo C-S bond cleavage, providing the necessary sulfide for [2Fe-2S] cluster formation. Lastly, unique dioxygen

Collaboration and critical thinking in an online chemistry environment

NASA Astrophysics Data System (ADS)

Kershisnik, Elizabeth Irene

The purpose of this dissertation was to examine collaboration and student's critical thinking and cognitive achievement within online chemistry courses. This quantitative study focused on the apparent lack of research relating collaboration and critical thinking in online science courses. Collaboration was determined using the small group collaboration model coding scheme, which examined student postings in asynchronous discussion forums for quantity, equality, and shareness. Critical thinking was measured using the chemistry concept reasoning test, the online self-diagnostic test, and also asynchronous student homework discussion postings that were coded using the community of inquiry cognitive presence indicators. Finally cognitive achievement was determined using quiz scores and the student's final grade. Even though no significant findings were revealed in this exploratory quasi-experimental study, this research did add to the educational technology knowledge base since very few studies have investigated the chemistry discipline in an online environment. Continued research in this area is vital to understanding how critical thinking progresses, how it can be assessed, and what factors in the classroom, be it virtual or face-to-face, have the greatest effect on critical thinking.

Quantitative functional characterization of conserved molecular interactions in the active site of mannitol 2-dehydrogenase

PubMed Central

Lucas, James E; Siegel, Justin B

2015-01-01

Enzyme active site residues are often highly conserved, indicating a significant role in function. In this study we quantitate the functional contribution for all conserved molecular interactions occurring within a Michaelis complex for mannitol 2-dehydrogenase derived from Pseudomonas fluorescens (pfMDH). Through systematic mutagenesis of active site residues, we reveal that the molecular interactions in pfMDH mediated by highly conserved residues not directly involved in reaction chemistry can be as important to catalysis as those directly involved in the reaction chemistry. This quantitative analysis of the molecular interactions within the pfMDH active site provides direct insight into the functional role of each molecular interaction, several of which were unexpected based on canonical sequence conservation and structural analyses. PMID:25752240

Plant Chemistry and Local Adaptation of a Specialized Folivore

PubMed Central

Laukkanen, Liisa; Leimu, Roosa; Muola, Anne; Lilley, Marianna; Salminen, Juha-Pekka; Mutikainen, Pia

2012-01-01

Local adaptation is central for creating and maintaining spatial variation in plant-herbivore interactions. Short-lived insect herbivores feeding on long-lived plants are likely to adapt to their local host plants, because of their short generation time, poor dispersal, and geographically varying selection due to variation in plant defences. In a reciprocal feeding trial, we investigated the impact of geographic variation in plant secondary chemistry of a long-lived plant, Vincetoxicum hirundinaria, on among-population variation in local adaptation of a specialist leaf-feeding herbivore, Abrostola asclepiadis. The occurrence and degree of local adaptation varied among populations. This variation correlated with qualitative and quantitative differences in plant chemistry among the plant populations. These findings provide insights into the mechanisms driving variation in local adaptation in this specialized plant-herbivore interaction. PMID:22666493

Advances in analytical chemistry

NASA Technical Reports Server (NTRS)

Arendale, W. F.; Congo, Richard T.; Nielsen, Bruce J.

1991-01-01

Implementation of computer programs based on multivariate statistical algorithms makes possible obtaining reliable information from long data vectors that contain large amounts of extraneous information, for example, noise and/or analytes that we do not wish to control. Three examples are described. Each of these applications requires the use of techniques characteristic of modern analytical chemistry. The first example, using a quantitative or analytical model, describes the determination of the acid dissociation constant for 2,2'-pyridyl thiophene using archived data. The second example describes an investigation to determine the active biocidal species of iodine in aqueous solutions. The third example is taken from a research program directed toward advanced fiber-optic chemical sensors. The second and third examples require heuristic or empirical models.

High temperature polymer degradation: Rapid IR flow-through method for volatile quantification

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

Giron, Nicholas H.; Celina, Mathew C.

Accelerated aging of polymers at elevated temperatures often involves the generation of volatiles. These can be formed as the products of oxidative degradation reactions or intrinsic pyrolytic decomposition as part of polymer scission reactions. A simple analytical method for the quantification of water, CO 2, and CO as fundamental signatures of degradation kinetics is required. Here, we describe an analytical framework and develops a rapid mid-IR based gas analysis methodology to quantify volatiles that are contained in small ampoules after aging exposures. The approach requires identification of unique spectral signatures, systematic calibration with known concentrations of volatiles, and a rapidmore » acquisition FTIR spectrometer for time resolved successive spectra. Furthermore, the volatiles are flushed out from the ampoule with dry N2 carrier gas and are then quantified through spectral and time integration. This method is sufficiently sensitive to determine absolute yields of ~50 μg water or CO 2, which relates to probing mass losses of less than 0.01% for a 1 g sample, i.e. the early stages in the degradation process. Such quantitative gas analysis is not easily achieved with other approaches. Our approach opens up the possibility of quantitative monitoring of volatile evolution as an avenue to explore polymer degradation kinetics and its dependence on time and temperature.« less

High temperature polymer degradation: Rapid IR flow-through method for volatile quantification

DOE PAGES

Giron, Nicholas H.; Celina, Mathew C.

2017-05-19

Accelerated aging of polymers at elevated temperatures often involves the generation of volatiles. These can be formed as the products of oxidative degradation reactions or intrinsic pyrolytic decomposition as part of polymer scission reactions. A simple analytical method for the quantification of water, CO 2, and CO as fundamental signatures of degradation kinetics is required. Here, we describe an analytical framework and develops a rapid mid-IR based gas analysis methodology to quantify volatiles that are contained in small ampoules after aging exposures. The approach requires identification of unique spectral signatures, systematic calibration with known concentrations of volatiles, and a rapidmore » acquisition FTIR spectrometer for time resolved successive spectra. Furthermore, the volatiles are flushed out from the ampoule with dry N2 carrier gas and are then quantified through spectral and time integration. This method is sufficiently sensitive to determine absolute yields of ~50 μg water or CO 2, which relates to probing mass losses of less than 0.01% for a 1 g sample, i.e. the early stages in the degradation process. Such quantitative gas analysis is not easily achieved with other approaches. Our approach opens up the possibility of quantitative monitoring of volatile evolution as an avenue to explore polymer degradation kinetics and its dependence on time and temperature.« less

Generalized PSF modeling for optimized quantitation in PET imaging.

PubMed

Ashrafinia, Saeed; Mohy-Ud-Din, Hassan; Karakatsanis, Nicolas A; Jha, Abhinav K; Casey, Michael E; Kadrmas, Dan J; Rahmim, Arman

2017-06-21

Point-spread function (PSF) modeling offers the ability to account for resolution degrading phenomena within the PET image generation framework. PSF modeling improves resolution and enhances contrast, but at the same time significantly alters image noise properties and induces edge overshoot effect. Thus, studying the effect of PSF modeling on quantitation task performance can be very important. Frameworks explored in the past involved a dichotomy of PSF versus no-PSF modeling. By contrast, the present work focuses on quantitative performance evaluation of standard uptake value (SUV) PET images, while incorporating a wide spectrum of PSF models, including those that under- and over-estimate the true PSF, for the potential of enhanced quantitation of SUVs. The developed framework first analytically models the true PSF, considering a range of resolution degradation phenomena (including photon non-collinearity, inter-crystal penetration and scattering) as present in data acquisitions with modern commercial PET systems. In the context of oncologic liver FDG PET imaging, we generated 200 noisy datasets per image-set (with clinically realistic noise levels) using an XCAT anthropomorphic phantom with liver tumours of varying sizes. These were subsequently reconstructed using the OS-EM algorithm with varying PSF modelled kernels. We focused on quantitation of both SUV mean and SUV max , including assessment of contrast recovery coefficients, as well as noise-bias characteristics (including both image roughness and coefficient of-variability), for different tumours/iterations/PSF kernels. It was observed that overestimated PSF yielded more accurate contrast recovery for a range of tumours, and typically improved quantitative performance. For a clinically reasonable number of iterations, edge enhancement due to PSF modeling (especially due to over-estimated PSF) was in fact seen to lower SUV mean bias in small tumours. Overall, the results indicate that exactly matched PSF

Using Microwave Sample Decomposition in Undergraduate Analytical Chemistry

NASA Astrophysics Data System (ADS)

Griff Freeman, R.; McCurdy, David L.

1998-08-01

A shortcoming of many undergraduate classes in analytical chemistry is that students receive little exposure to sample preparation in chemical analysis. This paper reports the progress made in introducing microwave sample decomposition into several quantitative analysis experiments at Truman State University. Two experiments being performed in our current laboratory rotation include closed vessel microwave decomposition applied to the classical gravimetric determination of nickel and the determination of sodium in snack foods by flame atomic emission spectrometry. A third lab, using open-vessel microwave decomposition for the Kjeldahl nitrogen determination is now ready for student trial. Microwave decomposition reduces the time needed to complete these experiments and significantly increases the student awareness of the importance of sample preparation in quantitative chemical analyses, providing greater breadth and realism in the experiments.

Forensic Chemistry

NASA Astrophysics Data System (ADS)

Bell, Suzanne

2009-07-01

Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

Branched Macromolecular Architectures for Degradable, Multifunctional Phosphorus-Based Polymers.

PubMed

Henke, Helena; Brüggemann, Oliver; Teasdale, Ian

2017-02-01

This feature article briefly highlights some of the recent advances in polymers in which phosphorus is an integral part of the backbone, with a focus on the preparation of functional, highly branched, soluble polymers. A comparison is made between the related families of materials polyphosphazenes, phosphazene/phosphorus-based dendrimers and polyphosphoesters. The work described herein shows this to be a rich and burgeoning field, rapidly catching up with organic chemistry in terms of the macromolecular synthetic control and variety of available macromolecular architectures, whilst offering unique property combinations not available with carbon backbones, such as tunable degradation rates, high multi-valency and facile post-polymerization functionalization. As an example of their use in advanced applications, we highlight some investigations into their use as water-soluble drug carriers, whereby in particular the degradability in combination with multivalent nature has made them useful materials, as underlined by some of the recent studies in this area. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

User's Guide to Handlens - A Computer Program that Calculates the Chemistry of Minerals in Mixtures

USGS Publications Warehouse

Eberl, D.D.

2008-01-01

HandLens is a computer program, written in Excel macro language, that calculates the chemistry of minerals in mineral mixtures (for example, in rocks, soils and sediments) for related samples from inputs of quantitative mineralogy and chemistry. For best results, the related samples should contain minerals having the same chemical compositions; that is, the samples should differ only in the proportions of minerals present. This manual describes how to use the program, discusses the theory behind its operation, and presents test results of the program's accuracy. Required input for HandLens includes quantitative mineralogical data, obtained, for example, by RockJock analysis of X-ray diffraction (XRD) patterns, and quantitative chemical data, obtained, for example, by X-ray florescence (XRF) analysis of the same samples. Other quantitative data, such as sample depth, temperature, surface area, also can be entered. The minerals present in the samples are selected from a list, and the program is started. The results of the calculation include: (1) a table of linear coefficients of determination (r2's) which relate pairs of input data (for example, Si versus quartz weight percents); (2) a utility for plotting all input data, either as pairs of variables, or as sums of up to eight variables; (3) a table that presents the calculated chemical formulae for minerals in the samples; (4) a table that lists the calculated concentrations of major, minor, and trace elements in the various minerals; and (5) a table that presents chemical formulae for the minerals that have been corrected for possible systematic errors in the mineralogical and/or chemical analyses. In addition, the program contains a method for testing the assumption of constant chemistry of the minerals within a sample set.

Fracture healing using degradable magnesium fixation plates and screws.

PubMed

Chaya, Amy; Yoshizawa, Sayuri; Verdelis, Kostas; Noorani, Sabrina; Costello, Bernard J; Sfeir, Charles

2015-02-01

Internal bone fixation devices made with permanent metals are associated with numerous long-term complications and may require removal. We hypothesized that fixation devices made with degradable magnesium alloys could provide an ideal combination of strength and degradation, facilitating fracture fixation and healing while eliminating the need for implant removal surgery. Fixation plates and screws were machined from 99.9% pure magnesium and compared with titanium devices in a rabbit ulnar fracture model. Magnesium device degradation and the effect on fracture healing and bone formation were assessed after 4 weeks. Fracture healing with magnesium device fixation was compared with that of titanium devices using qualitative histologic analysis and quantitative histomorphometry. Micro-computed tomography showed device degradation after 4 weeks in vivo. In addition, 2-dimensional micro-computed tomography slices and histologic staining showed that magnesium degradation did not inhibit fracture healing or bone formation. Histomorphology showed no difference in bone-bridging fractures fixed with magnesium and titanium devices. Interestingly, abundant new bone was formed around magnesium devices, suggesting a connection between magnesium degradation and bone formation. Our results show potential for magnesium fixation devices in a loaded fracture environment. Furthermore, these results suggest that magnesium fixation devices may enhance fracture healing by encouraging localized new bone formation. Copyright © 2015 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

Reliable LC-MS quantitative glycomics using iGlycoMab stable isotope labeled glycans as internal standards.

PubMed

Zhou, Shiyue; Tello, Nadia; Harvey, Alex; Boyes, Barry; Orlando, Ron; Mechref, Yehia

2016-06-01

Glycans have numerous functions in various biological processes and participate in the progress of diseases. Reliable quantitative glycomic profiling techniques could contribute to the understanding of the biological functions of glycans, and lead to the discovery of potential glycan biomarkers for diseases. Although LC-MS is a powerful analytical tool for quantitative glycomics, the variation of ionization efficiency and MS intensity bias are influencing quantitation reliability. Internal standards can be utilized for glycomic quantitation by MS-based methods to reduce variability. In this study, we used stable isotope labeled IgG2b monoclonal antibody, iGlycoMab, as an internal standard to reduce potential for errors and to reduce variabililty due to sample digestion, derivatization, and fluctuation of nanoESI efficiency in the LC-MS analysis of permethylated N-glycans released from model glycoproteins, human blood serum, and breast cancer cell line. We observed an unanticipated degradation of isotope labeled glycans, tracked a source of such degradation, and optimized a sample preparation protocol to minimize degradation of the internal standard glycans. All results indicated the effectiveness of using iGlycoMab to minimize errors originating from sample handling and instruments. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantitative Analysis of Nail Polish Remover Using Nuclear Magnetic Resonance Spectroscopy Revisited

ERIC Educational Resources Information Center

Hoffmann, Markus M.; Caccamis, Joshua T.; Heitz, Mark P.; Schlecht, Kenneth D.

2008-01-01

Substantial modifications are presented for a previously described experiment using nuclear magnetic resonance (NMR) spectroscopy to quantitatively determine analytes in commercial nail polish remover. The revised experiment is intended for a second- or third-year laboratory course in analytical chemistry and can be conducted for larger laboratory…

Quantitative modeling of the reaction/diffusion kinetics of two-chemistry photopolymers

NASA Astrophysics Data System (ADS)

Kowalski, Benjamin Andrew

Optically driven diffusion in photopolymers is an appealing material platform for a broad range of applications, in which the recorded refractive index patterns serve either as images (e.g. data storage, display holography) or as optical elements (e.g. custom GRIN components, integrated optical devices). A quantitative understanding of the reaction/diffusion kinetics is difficult to obtain directly, but is nevertheless necessary in order to fully exploit the wide array of design freedoms in these materials. A general strategy for characterizing these kinetics is proposed, in which key processes are decoupled and independently measured. This strategy enables prediction of a material's potential refractive index change, solely on the basis of its chemical components. The degree to which a material does not reach this potential reveals the fraction of monomer that has participated in unwanted reactions, reducing spatial resolution and dynamic range. This approach is demonstrated for a model material similar to commercial media, achieving quantitative predictions of index response over three orders of exposure dose (~1 to ~103 mJ cm-2) and three orders of feature size (0.35 to 500 microns). The resulting insights enable guided, rational design of new material formulations with demonstrated performance improvement.

Comparison of symptomatology and performance degradation for motion and radiation sickness. Technical report, 6 January 1984-31 March 1985

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

McClellan, G.E.; Wiker, S.F.

1985-05-31

This report quantifies for the first time the relationship between the signs and symptoms of acute radiation sickness and those of motion sickness. With this relationship, a quantitative comparison is made between data on human performance degradation during motion sickness and estimates of performance degradation during radiation sickness. The comparison validates estimates made by the Intermediate Dose Program on the performance degradation from acute radiation sickness.

Volatile hydrocarbons inhibit methanogenic crude oil degradation

PubMed Central

Sherry, Angela; Grant, Russell J.; Aitken, Carolyn M.; Jones, D. Martin; Head, Ian M.; Gray, Neil D.

2014-01-01

Methanogenic degradation of crude oil in subsurface sediments occurs slowly, but without the need for exogenous electron acceptors, is sustained for long periods and has enormous economic and environmental consequences. Here we show that volatile hydrocarbons are inhibitory to methanogenic oil biodegradation by comparing degradation of an artificially weathered crude oil with volatile hydrocarbons removed, with the same oil that was not weathered. Volatile hydrocarbons (nC5–nC10, methylcyclohexane, benzene, toluene, and xylenes) were quantified in the headspace of microcosms. Aliphatic (n-alkanes nC12–nC34) and aromatic hydrocarbons (4-methylbiphenyl, 3-methylbiphenyl, 2-methylnaphthalene, 1-methylnaphthalene) were quantified in the total hydrocarbon fraction extracted from the microcosms. 16S rRNA genes from key microorganisms known to play an important role in methanogenic alkane degradation (Smithella and Methanomicrobiales) were quantified by quantitative PCR. Methane production from degradation of weathered oil in microcosms was rapid (1.1 ± 0.1 μmol CH4/g sediment/day) with stoichiometric yields consistent with degradation of heavier n-alkanes (nC12–nC34). For non-weathered oil, degradation rates in microcosms were significantly lower (0.4 ± 0.3 μmol CH4/g sediment/day). This indicated that volatile hydrocarbons present in the non-weathered oil inhibit, but do not completely halt, methanogenic alkane biodegradation. These findings are significant with respect to rates of biodegradation of crude oils with abundant volatile hydrocarbons in anoxic, sulphate-depleted subsurface environments, such as contaminated marine sediments which have been entrained below the sulfate-reduction zone, as well as crude oil biodegradation in petroleum reservoirs and contaminated aquifers. PMID:24765087

Effect of Mastery Learning on Senior Secondary School Students' Cognitive Learning Outcome in Quantitative Chemistry

ERIC Educational Resources Information Center

Mitee, Telimoye Leesi; Obaitan, Georgina N.

2015-01-01

The cognitive learning outcome of Senior Secondary School chemistry students has been poor over the years in Nigeria. Poor mathematical skills and inefficient teaching methods have been identified as some of the major reasons for this. Bloom's theory of school learning and philosophy of mastery learning assert that virtually all students are…

Kinetic Analysis of Amylase Using Quantitative Benedict's and Iodine Starch Reagents

ERIC Educational Resources Information Center

Cochran, Beverly; Lunday, Deborah; Miskevich, Frank

2008-01-01

Quantitative analysis of carbohydrates is a fundamental analytical tool used in many aspects of biology and chemistry. We have adapted a technique developed by Mathews et al. using an inexpensive scanner and open-source image analysis software to quantify amylase activity using both the breakdown of starch and the appearance of glucose. Breakdown…

Chemistry Notes.

ERIC Educational Resources Information Center

School Science Review, 1982

1982-01-01

Presents background information, laboratory procedures, classroom materials/activities, and experiments for chemistry. Topics include superheavy elements, polarizing power and chemistry of alkali metals, particulate carbon from combustion, tips for the chemistry laboratory, interesting/colorful experiments, behavior of bismuth (III) iodine, and…

Isolation of isoprene degrading bacteria from soils, development of isoA gene probes and identification of the active isoprene-degrading soil community using DNA-stable isotope probing.

PubMed

El Khawand, Myriam; Crombie, Andrew T; Johnston, Antonia; Vavlline, Dmitrii V; McAuliffe, Joseph C; Latone, Jacob A; Primak, Yuliya A; Lee, Sang-Kyu; Whited, Gregg M; McGenity, Terry J; Murrell, J Colin

2016-09-01

Emissions of biogenic volatile organic compounds (bVOCs), are an important element in the global carbon cycle, accounting for a significant proportion of fixed carbon. They contribute directly and indirectly to global warming and climate change and have a major effect on atmospheric chemistry. Plants emit isoprene to the atmosphere in similar quantities to emissions of methane from all sources and each accounts for approximately one third of total VOCs. Although methanotrophs, capable of growth on methane, have been intensively studied, we know little of isoprene biodegradation. Here, we report the isolation of two isoprene-degrading strains from the terrestrial environment and describe the design and testing of polymerase chain reaction (PCR) primers targeting isoA, the gene encoding the active-site component of the conserved isoprene monooxygenase, which are capable of retrieving isoA sequences from isoprene-enriched environmental samples. Stable isotope probing experiments, using biosynthesized (13) C-labelled isoprene, identified the active isoprene-degrading bacteria in soil. This study identifies novel isoprene-degrading strains using both culture-dependent and, for the first time, culture-independent methods and provides the tools and foundations for continued investigation of the biogeography and molecular ecology of isoprene-degrading bacteria. © 2016 The Authors. Environmental Microbiology published by Society for Applied Microbiology and John Wiley & Sons Ltd.

Syringyl-rich lignin renders poplars more resistant to degradation by wood decay fungi.

PubMed

Skyba, Oleksandr; Douglas, Carl J; Mansfield, Shawn D

2013-04-01

In order to elucidate the effects of lignin composition on the resistance of wood to degradation by decay fungi, wood specimens from two transgenic poplar lines expressing an Arabidopsis gene encoding ferulate 5-hydroxylase (F5H) driven by the cinnimate-4-hydroxylase promoter (C4H::F5H) that increased syringyl/guaiacyl (S/G) monolignol ratios relative to those in the untransformed control wood were incubated with six different wood decay fungi. Alterations in wood weight and chemical composition were monitored over the incubation period. The results showed that transgenic poplar lines extremely rich in syringyl lignin exhibited a drastically improved resistance to degradation by all decay fungi evaluated. Lignin monomer composition and its distribution among cell types and within different cell layers were the sole wood chemistry parameters determining wood durability. Since transgenic poplars with exceedingly high syringyl contents were recalcitrant to degradation, where wood durability is a critical factor, these genotypes may offer improved performance.

Syringyl-Rich Lignin Renders Poplars More Resistant to Degradation by Wood Decay Fungi

PubMed Central

Skyba, Oleksandr; Douglas, Carl J.

2013-01-01

In order to elucidate the effects of lignin composition on the resistance of wood to degradation by decay fungi, wood specimens from two transgenic poplar lines expressing an Arabidopsis gene encoding ferulate 5-hydroxylase (F5H) driven by the cinnimate-4-hydroxylase promoter (C4H::F5H) that increased syringyl/guaiacyl (S/G) monolignol ratios relative to those in the untransformed control wood were incubated with six different wood decay fungi. Alterations in wood weight and chemical composition were monitored over the incubation period. The results showed that transgenic poplar lines extremely rich in syringyl lignin exhibited a drastically improved resistance to degradation by all decay fungi evaluated. Lignin monomer composition and its distribution among cell types and within different cell layers were the sole wood chemistry parameters determining wood durability. Since transgenic poplars with exceedingly high syringyl contents were recalcitrant to degradation, where wood durability is a critical factor, these genotypes may offer improved performance. PMID:23396333

Clinical chemistry through Clinical Chemistry: a journal timeline.

PubMed

Rej, Robert

2004-12-01

The establishment of the modern discipline of clinical chemistry was concurrent with the foundation of the journal Clinical Chemistry and that of the American Association for Clinical Chemistry in the late 1940s and early 1950s. To mark the 50th volume of this Journal, I chronicle and highlight scientific milestones, and those within the discipline, as documented in the pages of Clinical Chemistry. Amazing progress has been made in the field of laboratory diagnostics over these five decades, in many cases paralleling-as well as being bolstered by-the rapid pace in the development of computer technologies. Specific areas of laboratory medicine particularly well represented in Clinical Chemistry include lipids, endocrinology, protein markers, quality of laboratory measurements, molecular diagnostics, and general advances in methodology and instrumentation.

A quantitative PCR approach for quantification of functional genes involved in the degradation of polycyclic aromatic hydrocarbons in contaminated soils.

PubMed

Shahsavari, Esmaeil; Aburto-Medina, Arturo; Taha, Mohamed; Ball, Andrew S

2016-01-01

Polycyclic aromatic hydrocarbons (PAHs) are major pollutants globally and due to their carcinogenic and mutagenic properties their clean-up is paramount. Bioremediation or using PAH degrading microorganisms (mainly bacteria) to degrade the pollutants represents cheap, effective methods. These PAH degraders harbor functional genes which help microorganisms use PAHs as source of food and energy. Most probable number (MPN) and plate counting methods are widely used for counting PAHs degraders; however, as culture based methods only count a small fraction (<1%) of microorganisms capable of carrying out PAH degradation, the use of culture-independent methodologies is desirable.•This protocol presents a robust, rapid and sensitive qPCR method for the quantification of the functional genes involved in the degradation of PAHs in soil samples.•This protocol enables us to screen a vast number of PAH contaminated soil samples in few hours.•This protocol provides valuable information about the natural attenuation potential of contaminated soil and can be used to monitor the bioremediation process.

DanceChemistry: Helping Students Visualize Chemistry Concepts through Dance Videos

ERIC Educational Resources Information Center

Tay, Gidget C.; Edwards, Kimberly D.

2015-01-01

A visual aid teaching tool, the DanceChemistry video series, has been developed to teach fundamental chemistry concepts through dance. These educational videos portray chemical interactions at the molecular level using dancers to represent chemical species. Students reported that the DanceChemistry videos helped them visualize chemistry ideas in a…

Poly(aryl ethers) and related polysiloxane copolymer molecular coatings: Preparation and radiation degradation

NASA Technical Reports Server (NTRS)

Mcgrath, J. E.

1982-01-01

The radiation degradation of poly(arylene ether sulfones) and related materials is studied. These basic studies are important both as a means to developing stronger, more stable matrix resins for composite materials, as well as to improve the data base in regard to chemical structure-physical property relationships. Thirty homo and copolymers were synthesized, at least partially characterized and, in several cases suitable film casting techniques were developed. Four samples were chosen for initial radiation degradation. Poly(dimethyl siloxane) soft bocks/segments can preferentially migrate to the surface of copolymer films. Since siloxanes are utilized as thermal control coatings, this form of 'molecular' coating is of interest. The chemistry for preparing such copolymers with any of the polymers described was demonstrated.

Controllable degradation kinetics of POSS nanoparticle-integrated poly(ε-caprolactone urea)urethane elastomers for tissue engineering applications

PubMed Central

Yildirimer, Lara; Buanz, Asma; Gaisford, Simon; Malins, Edward L.; Remzi Becer, C.; Moiemen, Naiem; Reynolds, Gary M.; Seifalian, Alexander M.

2015-01-01

Biodegradable elastomers are a popular choice for tissue engineering scaffolds, particularly in mechanically challenging settings (e.g. the skin). As the optimal rate of scaffold degradation depends on the tissue type to be regenerated, next-generation scaffolds must demonstrate tuneable degradation patterns. Previous investigations mainly focussed on the integration of more or less hydrolysable components to modulate degradation rates. In this study, however, the objective was to develop and synthesize a family of novel biodegradable polyurethanes (PUs) based on a poly(ε-caprolactone urea)urethane backbone integrating polyhedral oligomeric silsesquioxane (POSS-PCLU) with varying amounts of hard segments (24%, 28% and 33% (w/v)) in order to investigate the influence of hard segment chemistry on the degradation rate and profile. PUs lacking POSS nanoparticles served to prove the important function of POSS in maintaining the mechanical structures of the PU scaffolds before, during and after degradation. Mechanical testing of degraded samples revealed hard segment-dependent modulation of the materials’ viscoelastic properties, which was attributable to (i) degradation-induced changes in the PU crystallinity and (ii) either the presence or absence of POSS. In conclusion, this study presents a facile method of controlling degradation profiles of PU scaffolds used in tissue engineering applications. PMID:26463421

Coupling Processes between Atmospheric Chemistry and Climate

NASA Technical Reports Server (NTRS)

Ko, Malcolm K. W.; Weisenstein, Debra K.; Shia, Run-Lie; Scott, Courtney J.; Sze, Nien Dak

1998-01-01

This is the fourth semi-annual report for NAS5-97039, covering the time period July through December 1998. The overall objective of this project is to improve the understanding of coupling processes between atmospheric chemistry and climate. Model predictions of the future distributions of trace gases in the atmosphere constitute an important component of the input necessary for quantitative assessments of global change. We will concentrate on the changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The key modeling tools for this work are the Atmospheric and Environmental Research (AER) two-dimensional chemistry-transport model, the AER two-dimensional stratospheric sulfate model, and the AER three-wave interactive model with full chemistry. For this six month period, we report on a modeling study of new rate constant which modify the NOx/NOy ratio in the lower stratosphere; sensitivity to changes in stratospheric water vapor in the future atmosphere; a study of N2O and CH4 observations which has allowed us to adjust diffusion in the 2-D CTM in order to obtain appropriate polar vortex isolation; a study of SF6 and age of air with comparisons of models and measurements; and a report on the Models and Measurements II effort.

Stereoselective Degradation and Molecular Ecological Mechanism of Chiral Pesticides Beta-Cypermethrin in Soils with Different pH Values.

PubMed

Yang, Zhong-Hua; Ji, Guo-Dong

2015-12-15

For decades, pesticides have been widely used for agricultural activities around the world, and the environmental problems caused by these compounds have raised widespread concern. However, the different enantioselective behaviors of chiral pesticide enantiomers are often ignored. Here, the selective degradation patterns and mechanisms of chiral pesticide enantiomers were successfully investigated for the first time in the soils of three cultivation areas with different pH values. Beta-cypermethrin was chosen as the target analyte. We found that the degradation rates of the four isomers of beta-cypermethrin were different. We used stepwise regression equations between degradation rates and functional genes to quantitatively study their relationships. Quantitative response analysis revealed that different isomers have different equations even under identical conditions. The results of path analysis showed that a single functional gene can make different direct and indirect contributions to the degradation of different isomers. Finally, the high-throughput technology was used to analysis the genome of the three tested soils and then compared the main microbial communities in them. We have successfully devised a method to investigate the molecular biological mechanisms of the selective degradation behavior of chiral compounds, thus enabling us to better understand these mechanisms.

Quantitative collision induced mass spectrometry of substituted piperazines - A correlative analysis between theory and experiment

NASA Astrophysics Data System (ADS)

Ivanova, Bojidarka; Spiteller, Michael

2017-12-01

The present paper deals with quantitative kinetics and thermodynamics of collision induced dissociation (CID) reactions of piperazines under different experimental conditions together with a systematic description of effect of counter-ions on common MS fragment reactions of piperazines; and intra-molecular effect of quaternary cyclization of substituted piperazines yielding to quaternary salts. There are discussed quantitative model equations of rate constants as well as free Gibbs energies of series of m-independent CID fragment processes in GP, which have been evidenced experimentally. Both kinetic and thermodynamic parameters are also predicted by computational density functional theory (DFT) and ab initio both static and dynamic methods. The paper examines validity of Maxwell-Boltzmann distribution to non-Boltzmann CID processes in quantitatively as well. The experiments conducted within the latter framework yield to an excellent correspondence with theoretical quantum chemical modeling. The important property of presented model equations of reaction kinetics is the applicability in predicting unknown and assigning of known mass spectrometric (MS) patterns. The nature of "GP" continuum of CID-MS coupled scheme of measurements with electrospray ionization (ESI) source is discussed, performing parallel computations in gas-phase (GP) and polar continuum at different temperatures and ionic strengths. The effect of pressure is presented. The study contributes significantly to methodological and phenomenological developments of CID-MS and its analytical implementations for quantitative and structural analyses. It also demonstrates great prospective of a complementary application of experimental CID-MS and computational quantum chemistry studying chemical reactivity, among others. To a considerable extend this work underlies the place of computational quantum chemistry to the field of experimental analytical chemistry in particular highlighting the structural analysis.

Plasmonic hot electron transport drives nano-localized chemistry

PubMed Central

Cortés, Emiliano; Xie, Wei; Cambiasso, Javier; Jermyn, Adam S.; Sundararaman, Ravishankar; Narang, Prineha; Schlücker, Sebastian; Maier, Stefan A.

2017-01-01

Nanoscale localization of electromagnetic fields near metallic nanostructures underpins the fundamentals and applications of plasmonics. The unavoidable energy loss from plasmon decay, initially seen as a detriment, has now expanded the scope of plasmonic applications to exploit the generated hot carriers. However, quantitative understanding of the spatial localization of these hot carriers, akin to electromagnetic near-field maps, has been elusive. Here we spatially map hot-electron-driven reduction chemistry with 15 nm resolution as a function of time and electromagnetic field polarization for different plasmonic nanostructures. We combine experiments employing a six-electron photo-recycling process that modify the terminal group of a self-assembled monolayer on plasmonic silver nanoantennas, with theoretical predictions from first-principles calculations of non-equilibrium hot-carrier transport in these systems. The resulting localization of reactive regions, determined by hot-carrier transport from high-field regions, paves the way for improving efficiency in hot-carrier extraction science and nanoscale regio-selective surface chemistry. PMID:28348402

The synthesis of tritium, carbon-14 and stable isotope labelled selective estrogen receptor degraders.

PubMed

Bragg, Ryan A; Bushby, Nick; Ericsson, Cecilia; Kingston, Lee P; Ji, Hailong; Elmore, Charles S

2016-09-01

As part of a Medicinal Chemistry program aimed at developing an orally bioavailable selective estrogen receptor degrader, a number of tritium, carbon-14, and stable isotope labelled (E)-3-[4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]prop-2-enoic acids were required. This paper discusses 5 synthetic approaches to this compound class. Copyright © 2016 John Wiley & Sons, Ltd.

Degradation of the Neonicotinoid Pesticides in the Atmospheric Pressure Ionization Source

NASA Astrophysics Data System (ADS)

Chai, Yunfeng; Chen, Hongping; Liu, Xin; Lu, Chengyin

2018-02-01

During the analysis of neonicotinoid pesticide standards (thiamethoxam, clothianidin, imidacloprid, acetamiprid, and thiacloprid) by mass spectrometry, the degradation of these pesticides (M-C=N-R is degraded into M-C=O, M is the skeleton moiety, and R is NO2 or CN) was observed in the atmospheric pressure ionization interfaces (ESI and APCI). In APCI, the degradation of all the five neonicotinoid pesticides studied took place, and the primary mechanism was in-source ion/molecule reaction, in which a molecule of water (confirmed by use of H2 18O) attacked the carbon of the imine group accompanying with loss of NH2R (R=NO2, CN). For the nitroguanidine neonicotinoid pesticides (R=NO2, including thiamethoxam, clothianidin, and imidacloprid), higher auxiliary gas heater temperature also contributed to their degradation in APCI due to in-source pyrolysis. The degradation of the five neonicotinoid pesticides studied in ESI was not significant. In ESI, only the nitroguanidine neonicotinoid pesticides could generate the degradation products through in-source fragmentation mechanism. The degradation of cyanoamidine neonicotinoid pesticides (R=CN, including acetamiprid and thiacloprid) in ESI was not observed. The degradation of neonicotinoid pesticides in the ion source of mass spectrometer renders some adverse consequences, such as difficulty interpreting the full-scan mass spectrum, reducing the sensitivity and accuracy of quantitative analysis, and misleading whether these pesticides have degraded in the real samples. Therefore, a clear understanding of these unusual degradation reactions should facilitate the analysis of neonicotinoid pesticides by atmospheric pressure ionization mass spectrometry.

Degradation of the Neonicotinoid Pesticides in the Atmospheric Pressure Ionization Source.

PubMed

Chai, Yunfeng; Chen, Hongping; Liu, Xin; Lu, Chengyin

2018-02-01

During the analysis of neonicotinoid pesticide standards (thiamethoxam, clothianidin, imidacloprid, acetamiprid, and thiacloprid) by mass spectrometry, the degradation of these pesticides (M-C=N-R is degraded into M-C=O, M is the skeleton moiety, and R is NO 2 or CN) was observed in the atmospheric pressure ionization interfaces (ESI and APCI). In APCI, the degradation of all the five neonicotinoid pesticides studied took place, and the primary mechanism was in-source ion/molecule reaction, in which a molecule of water (confirmed by use of H 2 18 O) attacked the carbon of the imine group accompanying with loss of NH 2 R (R=NO 2 , CN). For the nitroguanidine neonicotinoid pesticides (R=NO 2 , including thiamethoxam, clothianidin, and imidacloprid), higher auxiliary gas heater temperature also contributed to their degradation in APCI due to in-source pyrolysis. The degradation of the five neonicotinoid pesticides studied in ESI was not significant. In ESI, only the nitroguanidine neonicotinoid pesticides could generate the degradation products through in-source fragmentation mechanism. The degradation of cyanoamidine neonicotinoid pesticides (R=CN, including acetamiprid and thiacloprid) in ESI was not observed. The degradation of neonicotinoid pesticides in the ion source of mass spectrometer renders some adverse consequences, such as difficulty interpreting the full-scan mass spectrum, reducing the sensitivity and accuracy of quantitative analysis, and misleading whether these pesticides have degraded in the real samples. Therefore, a clear understanding of these unusual degradation reactions should facilitate the analysis of neonicotinoid pesticides by atmospheric pressure ionization mass spectrometry. Graphical Abstract.

Method for Impeding Degradation of Porous Silicon Structures

NASA Technical Reports Server (NTRS)

Vilentchouk, Biana Godin; Ferrari, Mauro

2011-01-01

This invention relates to surface modification of porosified silicon (pSi) structures with poly(alkylene) glycols for the purpose of controlled degradation of the silicon matrix and tailored release of encapsulated substances for biomedical applications. The pSi structures are currently used in diverse biomedical applications including bio-molecular screening, optical bio-sensoring, and drug delivery by means of injectable/orally administered carriers and implantable devices. The size of the pores and the surface chemistry of the pSi structure can be controlled during the microfabrication process and thereafter. A fine regulation of the degradation kinetics of mesoporous silicon structures is of fundamental importance. Polyethylene glycols (PEGs) represent the major category of surface modifying agents used in classical drug delivery systems and in pharmaceutical dosage forms. PEGylation enables avoidance of RES uptake, thus prolonging circulation time of intravenously injectable nanovectors. PEG molecules demonstrate little toxicity and immunogenicity, and are cleared from the body through the urine (molecular weight, MW less than 30 kDa) or in the feces (MW greater than 30kDa). The invention focuses on the possibility of finely tuning the degradation kinetics of the pSi nanovectors and other structures through surface conjugation of PEGs with various backbone lengths/MWs. To prove the concept, pSi nanovectors were covalently conjugated to seven PEGs with MW from 245 to 5,000 Da and their degradation kinetics in physiologically relevant media (phosphate buffer saline, PBS pH7.4, and fetal bovine serum) was assessed by the elemental analysis of the Si using inductive coupled plasma atomic emission spectroscopy (ICP-AES). The conjugation of the PEG with lowest MW to the nanovectors surface did not induce any change in the degradation kinetics in serum, but inhibited degradation and consequently the release of orthosilicic acid into buffer. When PEGs with the longer

Deep learning for computational chemistry.

PubMed

Goh, Garrett B; Hodas, Nathan O; Vishnu, Abhinav

2017-06-15

The rise and fall of artificial neural networks is well documented in the scientific literature of both computer science and computational chemistry. Yet almost two decades later, we are now seeing a resurgence of interest in deep learning, a machine learning algorithm based on multilayer neural networks. Within the last few years, we have seen the transformative impact of deep learning in many domains, particularly in speech recognition and computer vision, to the extent that the majority of expert practitioners in those field are now regularly eschewing prior established models in favor of deep learning models. In this review, we provide an introductory overview into the theory of deep neural networks and their unique properties that distinguish them from traditional machine learning algorithms used in cheminformatics. By providing an overview of the variety of emerging applications of deep neural networks, we highlight its ubiquity and broad applicability to a wide range of challenges in the field, including quantitative structure activity relationship, virtual screening, protein structure prediction, quantum chemistry, materials design, and property prediction. In reviewing the performance of deep neural networks, we observed a consistent outperformance against non-neural networks state-of-the-art models across disparate research topics, and deep neural network-based models often exceeded the "glass ceiling" expectations of their respective tasks. Coupled with the maturity of GPU-accelerated computing for training deep neural networks and the exponential growth of chemical data on which to train these networks on, we anticipate that deep learning algorithms will be a valuable tool for computational chemistry. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Atmospheric chemistry and environmental impact of the use of amines in carbon capture and storage (CCS).

PubMed

Nielsen, Claus J; Herrmann, Hartmut; Weller, Christian

2012-10-07

This critical review addresses the atmospheric gas phase and aqueous phase amine chemistry that is relevant to potential emissions from amine-based carbon capture and storage (CCS). The focus is on amine, nitrosamine and nitramine degradation, and nitrosamine and nitramine formation processes. A comparison between the relative importance of the various atmospheric sinks for amines, nitrosamines and nitramines is presented.

Chemistry for whom? Gender awareness in teaching and learning chemistry

NASA Astrophysics Data System (ADS)

Andersson, Kristina

2017-06-01

Marie Ståhl and Anita Hussénius have defined what discourses dominate national tests in chemistry for Grade 9 in Sweden by using feminist, critical didactic perspectives. This response seeks to expand the results in Ståhl and Hussénius's article Chemistry inside an epistemological community box!— Discursive exclusions and inclusions in the Swedish national tests in chemistry, by using different facets of gender awareness. The first facet—Gender awareness in relations to the test designers' own conceptions—highlighted how the gender order where women are subordinated men becomes visible in the national tests as a consequence of the test designers internalized conceptions. The second facet—Gender awareness in relation to chemistry—discussed the hierarchy between discourses within chemistry. The third facet—Gender awareness in relation to students—problematized chemistry in relation to the students' identity formation. In summary, I suggest that the different discourses can open up new ways to interpret chemistry and perhaps dismantle the hegemonic chemistry discourse.

Shoreline development and degradation of coastal fish reproduction habitats.

PubMed

Sundblad, Göran; Bergström, Ulf

2014-12-01

Coastal development has severely affected habitats and biodiversity during the last century, but quantitative estimates of the impacts are usually lacking. We utilize predictive habitat modeling and mapping of human pressures to estimate the cumulative long-term effects of coastal development in relation to fish habitats. Based on aerial photographs since the 1960s, shoreline development rates were estimated in the Stockholm archipelago in the Baltic Sea. By combining shoreline development rates with spatial predictions of fish reproduction habitats, we estimated annual habitat degradation rates for three of the most common coastal fish species, northern pike (Esox lucius), Eurasian perch (Perca fluviatilis) and roach (Rutilus rutilus). The results showed that shoreline constructions were concentrated to the reproduction habitats of these species. The estimated degradation rates, where a degraded habitat was defined as having ≥3 constructions per 100 m shoreline, were on average 0.5 % of available habitats per year and about 1 % in areas close to larger population centers. Approximately 40 % of available habitats were already degraded in 2005. These results provide an example of how many small construction projects over time may have a vast impact on coastal fish populations.

The impact of oxidation on spore and pollen chemistry: an experimental study

NASA Astrophysics Data System (ADS)

Jardine, Phillip; Fraser, Wesley; Lomax, Barry; Gosling, William

2016-04-01

Sporomorphs (pollen and spores) form a major component of the land plant fossil record. Sporomorphs have an outer wall composed of sporopollenin, a highly durable biopolymer, the chemistry of which contains both a signature of ambient ultraviolet-B flux and taxonomic information. Despite the high preservation potential of sporopollenin in the geological record, it is currently unknown how sensitive its chemical signature is to standard palynological processing techniques. Oxidation in particular is known to cause physical degradation to sporomorphs, and it is expected that this should have a concordant impact on sporopollenin chemistry. Here, we test this by experimentally oxidizing Lycopodium (clubmoss) spores using two common oxidation techniques: acetolysis and nitric acid. We also carry out acetolysis on eight angiosperm (flowering plant) taxa to test the generality of our results. Using Fourier Transform infrared (FTIR) spectroscopy, we find that acetolysis removes labile, non-fossilizable components of sporomorphs, but has a limited impact upon the chemistry of sporopollenin under normal processing durations. Nitric acid is more aggressive and does break down sporopollenin and reorganize its chemical structure, but when limited to short treatments (i.e. ≤10 min) at room temperature sporomorphs still contain most of the original chemical signal. These findings suggest that when used carefully oxidation does not adversely affect sporopollenin chemistry, and that palaeoclimatic and taxonomic signatures contained within the sporomorph wall are recoverable from standard palynological preparations.

Analysis of a Superconductor: Development of a Practical Exam for the International Chemistry Olympiad

ERIC Educational Resources Information Center

Nick, Sabine; Nather, Christian

2007-01-01

In July 2004 the 36th International Chemistry Olympiad was held in Kiel, Germany. Competition for medals included 236 students from 61 countries, accompanied by about 150 teachers and other mentors. During this Olympiad the students performed qualitative and quantitative analyses of a superconductor, based on lanthanum barium cuprate. In the…

Measuring meaningful learning in the undergraduate chemistry laboratory

NASA Astrophysics Data System (ADS)

Galloway, Kelli R.

The undergraduate chemistry laboratory has been an essential component in chemistry education for over a century. The literature includes reports on investigations of singular aspects laboratory learning and attempts to measure the efficacy of reformed laboratory curriculum as well as faculty goals for laboratory learning which found common goals among instructors for students to learn laboratory skills, techniques, experimental design, and to develop critical thinking skills. These findings are important for improving teaching and learning in the undergraduate chemistry laboratory, but research is needed to connect the faculty goals to student perceptions. This study was designed to explore students' ideas about learning in the undergraduate chemistry laboratory. Novak's Theory of Meaningful Learning was used as a guide for the data collection and analysis choices for this research. Novak's theory states that in order for meaningful learning to occur the cognitive, affective, and psychomotor domains must be integrated. The psychomotor domain is inherent in the chemistry laboratory, but the extent to which the cognitive and affective domains are integrated is unknown. For meaningful learning to occur in the laboratory, students must actively integrate both the cognitive domain and the affective domains into the "doing" of their laboratory work. The Meaningful Learning in the Laboratory Instrument (MLLI) was designed to measure students' cognitive and affective expectations and experiences within the context of conducting experiments in the undergraduate chemistry laboratory. Evidence for the validity and reliability of the data generated by the MLLI were collected from multiple quantitative studies: a one semester study at one university, a one semester study at 15 colleges and universities across the United States, and a longitudinal study where the MLLI was administered 6 times during two years of general and organic chemistry laboratory courses. Results from

Coordination Chemistry of Linear Oligopyrrolic Fragments Inspired by Heme Metabolites

NASA Astrophysics Data System (ADS)

Gautam, Ritika

Linear oligopyrroles are degradation products of heme, which is converted in the presence of heme oxygenase to bile pigments, such as biliverdin and bilirubin. These tetrapyrrolic oligopyrroles are ubiquitously present in biological systems and find applications in the fields of catalysis and sensing. These linear tetrapyrrolic scaffolds are further degraded into linear tripyrrolic and dipyrrolic fragments. Although these lower oligopyrroles are abundantly present, their coordination chemistry requires further characterization. This dissertation focuses mainly on two classes of bioinspired linear oligopyrroles, propentdyopent and tripyrrindione, and their transition metal complexes, which present a rich ligand-based redox chemistry. Chapter 1 offers an overview of heme degradation to different classes of linear oligopyrroles and properties of their transition metal complexes. Chapter 2 is focused on the tripyrrin-1,14-dione scaffold of the urinary pigment uroerythrin, which coordinates divalent transition metals palladium and copper with square planar geometry. Specifically, the tripyrrin-1, 14-dione ligand binds Cu(II) and Pd(II) as a dianionic organic radical under ambient conditions. The electrochemical study confirms the presence of ligand based redox chemistry, and one electron oxidation or reduction reactions do not alter the planar geometry around the metal center. The X-Ray analysis and the electron paramagnetic resonance (EPR) studies of the complexes in the solid and solution phase reveals intermolecular interactions between the ligand based unpaired electrons and therefore formation of neutral pi-pi dimers. In Chapter 3, the antioxidant activity and the fluorescence sensor properties of the tripyrrin-1,14-dione ligand in the presence of superoxide are described. We found that the tripyrrindione ligand undergoes one-electron reduction in the presence of the superoxide radical anion (O2•- ) to form highly fluorescent H3TD1•- radical anion, which emits

Homogeneous and heterogeneous chemistry along air parcel trajectories

NASA Technical Reports Server (NTRS)

Jones, R. L.; Mckenna, D. L.; Poole, L. R.; Solomon, S.

1990-01-01

The study of coupled heterogeneous and homogeneous chemistry due to polar stratospheric clouds (PSC's) using Lagrangian parcel trajectories for interpretation of the Airborne Arctic Stratosphere Experiment (AASE) is discussed. This approach represents an attempt to quantitatively model the physical and chemical perturbation to stratospheric composition due to formation of PSC's using the fullest possible representation of the relevant processes. Further, the meteorological fields from the United Kingdom Meteorological office global model were used to deduce potential vorticity and inferred regions of PSC's as an input to flight planning during AASE.

Quantitative analysis of cellulose degradation and growth of cellulolytic bacteria in the rumen.

PubMed

Russell, James B; Muck, Richard E; Weimer, Paul J

2009-02-01

Ruminant animals digest cellulose via a symbiotic relationship with ruminal microorganisms. Because feedstuffs only remain in the rumen for a short time, the rate of cellulose digestion must be very rapid. This speed is facilitated by rumination, a process that returns food to the mouth to be rechewed. By decreasing particle size, the cellulose surface area can be increased by up to 10(6)-fold. The amount of cellulose digested is then a function of two competing rates, namely the digestion rate (K(d)) and the rate of passage of solids from the rumen (K(p)). Estimation of bacterial growth on cellulose is complicated by several factors: (1) energy must be expended for maintenance and growth of the cells, (2) only adherent cells are capable of degrading cellulose and (3) adherent cells can provide nonadherent cells with cellodextrins. Additionally, when ruminants are fed large amounts of cereal grain along with fiber, ruminal pH can decrease to a point where cellulolytic bacteria no longer grow. A dynamic model based on STELLA software is presented. This model evaluates all of the major aspects of ruminal cellulose degradation: (1) ingestion, digestion and passage of feed particles, (2) maintenance and growth of cellulolytic bacteria and (3) pH effects.

Applications of reversible covalent chemistry in analytical sample preparation.

PubMed

Siegel, David

2012-12-07

Reversible covalent chemistry (RCC) adds another dimension to commonly used sample preparation techniques like solid-phase extraction (SPE), solid-phase microextraction (SPME), molecular imprinted polymers (MIPs) or immuno-affinity cleanup (IAC): chemical selectivity. By selecting analytes according to their covalent reactivity, sample complexity can be reduced significantly, resulting in enhanced analytical performance for low-abundance target analytes. This review gives a comprehensive overview of the applications of RCC in analytical sample preparation. The major reactions covered include reversible boronic ester formation, thiol-disulfide exchange and reversible hydrazone formation, targeting analyte groups like diols (sugars, glycoproteins and glycopeptides, catechols), thiols (cysteinyl-proteins and cysteinyl-peptides) and carbonyls (carbonylated proteins, mycotoxins). Their applications range from low abundance proteomics to reversible protein/peptide labelling to antibody chromatography to quantitative and qualitative food analysis. In discussing the potential of RCC, a special focus is on the conditions and restrictions of the utilized reaction chemistry.

Identification of vessel wall degradation in ascending thoracic aortic aneurysms with OCT

PubMed Central

Real, Eusebio; Val-Bernal, José Fernando; Revuelta, José M.; Pontón, Alejandro; Díez, Marta Calvo; Mayorga, Marta; López-Higuera, José M.; Conde, Olga M.

2014-01-01

Degradation of the wall of human ascending thoracic aorta has been assessed through Optical Coherence Tomography (OCT). OCT images of the media layer of the aortic wall exhibit micro-structure degradation in case of diseased aortas from aneurysmal vessels. The OCT indicator of degradation depends on the dimension of areas of the media layer where backscattered reflectivity becomes smaller due to a disorder on the morphology of elastin, collagen and smooth muscle cells (SMCs). Efficient pre-processing of the OCT images is required to accurately extract the dimension of degraded areas after an optimized thresholding procedure. OCT results have been validated against conventional histological analysis. The OCT qualitative assessment has achieved a pair sensitivity-specificity of 100%-91.6% in low-high degradation discrimination when a threshold of 4965.88µm2 is selected. This threshold suggests to have physiological meaning. The OCT quantitative evaluation of degradation achieves a correlation of 0.736 between the OCT indicator and the histological score. This in-vitro study can be transferred to the clinical scenario to provide an intraoperative assessment tool to guide cardiovascular surgeons in open repair interventions. PMID:25426332

Peer Mentoring in the General Chemistry and Organic Chemistry Laboratories: The Pinacol Rearrangement--An Exercise in NMR and IR Spectroscopy for General Chemistry and Organic Chemistry Laboratories

ERIC Educational Resources Information Center

Arrington, Caleb A.; Hill, Jameica B.; Radfar, Ramin; Whisnant, David M.; Bass, Charles G.

2008-01-01

This article describes a discovery experiment for general chemistry and organic chemistry labs. Although the pinacol rearrangement has been employed in undergraduate organic laboratories before, in this application organic chemistry students act as mentors to students of general chemistry. Students work together using distillation--a new technique…

Degradation of the Alternaria mycotoxins alternariol, alternariol monomethyl ether, and altenuene upon bread baking.

PubMed

Siegel, David; Feist, Michael; Proske, Matthias; Koch, Matthias; Nehls, Irene

2010-09-08

The stability of the Alternaria mycotoxins alternariol, alternariol monomethyl ether, and altenuene upon bread baking was investigated by model experiments using a spiked wholemeal wheat flour matrix. For alternariol and alternariol monomethyl ether, but not for altenuene, degradation products, formed through a sequence of hydrolysis and decarboxylation, could be identified in pilot studies. The simultaneous quantification of alternariol, alternariol monomethyl ether, altenuene, and the degradation products was achieved by a newly developed high performance liquid chromatography tandem mass spectrometry (HPLC-MS/MS) multimethod. The obtained quantitative data indicate that the Alternaria mycotoxins are barely degraded during wet baking, while significant degradation occurs upon dry baking, with the stability decreasing in the order alternariol monomethyl ether>alternariol>altenuene. The novel degradation products could be detected after the wet baking of flour spiked with alternariol and in a sample survey of 24 commercial cereal based baking products.

Exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology.

PubMed

Ojima, Iwao

2013-07-05

Over the last three decades, my engagement in "fluorine chemistry" has evolved substantially because of the multidisciplinary nature of the research programs. I began my research career as a synthetic chemist in organometallic chemistry and homogeneous catalysis directed toward organic synthesis. Then, I was brought into a very unique world of "fluorine chemistry" in the end of 1970s. I started exploring the interface of fluorine chemistry and transition metal homogeneous catalysis first, which was followed by amino acids, peptides, and peptidomimetics for medicinal chemistry. Since then, I have been exploring the interfaces of fluorine chemistry and multidisciplinary fields of research involving medicinal chemistry, chemical biology, cancer biology, and molecular imaging. This perspective intends to cover my fruitful endeavor in the exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology in a chronological order to show the evolution of my research interest and strategy.

Enantioselective toxic effects and degradation of myclobutanil enantiomers in Scenedesmus obliquus.

PubMed

Cheng, Cheng; Huang, Ledan; Diao, Jinling; Zhou, Zhiqiang

2013-12-01

Research on the enantioselective environmental behavior of chiral pesticides has been a hot spot of environmental chemistry recently. In this study, the acute toxicity of myclobutanil enantiomers was investigated with the aquatic algae Scendesmus obliquus. After exposure for 96 h, the EC50 values for (-)-myclobutanil, rac-myclobutanil and (+)-myclobutanil were 3.951, 2.760, and 2.128 mg/L, respectively. The photosynthetic pigment (chlorophyll a, chlorophyll b, and carotenoids) and antioxidant enzyme activities catalase (CAT) were determined to evaluate the different toxic effects when S. obliquus were exposed to 1.5, 5 and 15 mg/L of rac-myclobutanil, (-)-myclobutanil, and (+)-myclobutanil for 96 h, respectively. In addition, the degradation of myclobutanil enantiomers in S. obliquus was also studied. Myclobutanil in the medium inoculated with algae degraded faster than in the uninoculated medium. The degradation of (-)-myclobutanil was faster than that of (+)-myclobutanil at a concentration of 3 mg/L. On the basis of these data, the acute toxicity and toxic effects of myclobutanil against S. obliquus were concluded to be enantioselective, and such enantiomeric differences should be taken into consideration in pesticide risk assessment. © 2013 Wiley Periodicals, Inc.

Chemistry: Experiments, Demonstrations and Other Activities Suggested for Chemistry.

ERIC Educational Resources Information Center

New York State Education Dept., Albany. Bureau of Secondary Curriculum Development.

This publication is a handbook used in conjunction with the course of study in chemistry developed through the New York State Education Department and The University of the State of New York. It contains experiments, demonstrations, and other activities for a chemistry course. Areas covered include the science of chemistry, the atomic structure of…

Identification and characterisation of isoprene-degrading bacteria in an estuarine environment.

PubMed

Johnston, Antonia; Crombie, Andrew T; El Khawand, Myriam; Sims, Leanne; Whited, Gregg M; McGenity, Terry J; Colin Murrell, J

2017-09-01

Approximately one-third of volatile organic compounds (VOCs) emitted to the atmosphere consists of isoprene, originating from the terrestrial and marine biosphere, with a profound effect on atmospheric chemistry. However, isoprene provides an abundant and largely unexplored source of carbon and energy for microbes. The potential for isoprene degradation in marine and estuarine samples from the Colne Estuary, UK, was investigated using DNA-Stable Isotope Probing (DNA-SIP). Analysis at two timepoints showed the development of communities dominated by Actinobacteria including members of the genera Mycobacterium, Rhodococcus, Microbacterium and Gordonia. Representative isolates, capable of growth on isoprene as sole carbon and energy source, were obtained from marine and estuarine locations, and isoprene-degrading strains of Gordonia and Mycobacterium were characterised physiologically and their genomes were sequenced. Genes predicted to be required for isoprene metabolism, including four-component isoprene monooxygenases (IsoMO), were identified and compared with previously characterised examples. Transcriptional and activity assays of strains growing on isoprene or alternative carbon sources showed that growth on isoprene is an inducible trait requiring a specific IsoMO. This study is the first to identify active isoprene degraders in estuarine and marine environments using DNA-SIP and to characterise marine isoprene-degrading bacteria at the physiological and molecular level. © 2017 The Authors. Environmental Microbiology published by Society for Applied Microbiology and John Wiley & Sons Ltd.

Quantitation of buried contamination by use of solvents. [degradation of silicone polymers by amine solvents

NASA Technical Reports Server (NTRS)

Pappas, S. P.; Hsiao, Y. C.; Hill, L. W.

1973-01-01

Spore recovery form cured silicone potting compounds using amine solvents to degrade the cured polymers was investigated. A complete list of solvents and a description of the effect of each on two different silicone polymers is provided.

High Temperature Degradation Mechanisms in Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Cunningham, Ronan A.

1996-01-01

Polymer matrix composites are increasingly used in demanding structural applications in which they may be exposed to harsh environments. The durability of such materials is a major concern, potentially limiting both the integrity of the structures and their useful lifetimes. The goal of the current investigation is to develop a mechanism-based model of the chemical degradation which occurs, such that given the external chemical environment and temperatures throughout the laminate, laminate geometry, and ply and/or constituent material properties, we can calculate the concentration of diffusing substances and extent of chemical degradation as functions of time and position throughout the laminate. This objective is met through the development and use of analytical models, coupled to an analysis-driven experimental program which offers both quantitative and qualitative information on the degradation mechanism. Preliminary analyses using a coupled diffusion/reaction model are used to gain insight into the physics of the degradation mechanisms and to identify crucial material parameters. An experimental program is defined based on the results of the preliminary analysis which allows the determination of the necessary material coefficients. Thermogravimetric analyses are carried out in nitrogen, air, and oxygen to provide quantitative information on thermal and oxidative reactions. Powdered samples are used to eliminate diffusion effects. Tests in both inert and oxidative environments allow the separation of thermal and oxidative contributions to specimen mass loss. The concentration dependency of the oxidative reactions is determined from the tests in pure oxygen. Short term isothermal tests at different temperatures are carried out on neat resin and unidirectional macroscopic specimens to identify diffusion effects. Mass loss, specimen shrinkage, the formation of degraded surface layers and surface cracking are recorded as functions of exposure time. Geometry effects

Weak fault detection and health degradation monitoring using customized standard multiwavelets

NASA Astrophysics Data System (ADS)

Yuan, Jing; Wang, Yu; Peng, Yizhen; Wei, Chenjun

2017-09-01

Due to the nonobvious symptoms contaminated by a large amount of background noise, it is challenging to beforehand detect and predictively monitor the weak faults for machinery security assurance. Multiwavelets can act as adaptive non-stationary signal processing tools, potentially viable for weak fault diagnosis. However, the signal-based multiwavelets suffer from such problems as the imperfect properties missing the crucial orthogonality, the decomposition distortion impossibly reflecting the relationships between the faults and signatures, the single objective optimization and independence for fault prognostic. Thus, customized standard multiwavelets are proposed for weak fault detection and health degradation monitoring, especially the weak fault signature quantitative identification. First, the flexible standard multiwavelets are designed using the construction method derived from scalar wavelets, seizing the desired properties for accurate detection of weak faults and avoiding the distortion issue for feature quantitative identification. Second, the multi-objective optimization combined three dimensionless indicators of the normalized energy entropy, normalized singular entropy and kurtosis index is introduced to the evaluation criterions, and benefits for selecting the potential best basis functions for weak faults without the influence of the variable working condition. Third, an ensemble health indicator fused by the kurtosis index, impulse index and clearance index of the original signal along with the normalized energy entropy and normalized singular entropy by the customized standard multiwavelets is achieved using Mahalanobis distance to continuously monitor the health condition and track the performance degradation. Finally, three experimental case studies are implemented to demonstrate the feasibility and effectiveness of the proposed method. The results show that the proposed method can quantitatively identify the fault signature of a slight rub on

Coupling model of aerobic waste degradation considering temperature, initial moisture content and air injection volume.

PubMed

Ma, Jun; Liu, Lei; Ge, Sai; Xue, Qiang; Li, Jiangshan; Wan, Yong; Hui, Xinminnan

2018-03-01

A quantitative description of aerobic waste degradation is important in evaluating landfill waste stability and economic management. This research aimed to develop a coupling model to predict the degree of aerobic waste degradation. On the basis of the first-order kinetic equation and the law of conservation of mass, we first developed the coupling model of aerobic waste degradation that considered temperature, initial moisture content and air injection volume to simulate and predict the chemical oxygen demand in the leachate. Three different laboratory experiments on aerobic waste degradation were simulated to test the model applicability. Parameter sensitivity analyses were conducted to evaluate the reliability of parameters. The coupling model can simulate aerobic waste degradation, and the obtained simulation agreed with the corresponding results of the experiment. Comparison of the experiment and simulation demonstrated that the coupling model is a new approach to predict aerobic waste degradation and can be considered as the basis for selecting the economic air injection volume and appropriate management in the future.

Responses of soil and water chemistry to mountain pine beetle induced tree mortality in Grand County, Colorado, USA

Treesearch

David W. Clow; Charles C. Rhoades; Jennifer Briggs; Megan Caldwell; William M. Lewis

2011-01-01

Pine forest in northern Colorado and southern Wyoming, USA, are experiencing the most severe mountain pine beetle epidemic in recorded history, and possible degradation of drinking-water quality is a major concern. The objective of this study was to investigate possible changes in soil and water chemistry in Grand County, Colorado in response to the epidemic,...

Extending Halogen-based Medicinal Chemistry to Proteins

PubMed Central

El Hage, Krystel; Pandyarajan, Vijay; Phillips, Nelson B.; Smith, Brian J.; Menting, John G.; Whittaker, Jonathan; Lawrence, Michael C.; Meuwly, Markus; Weiss, Michael A.

2016-01-01

Insulin, a protein critical for metabolic homeostasis, provides a classical model for protein design with application to human health. Recent efforts to improve its pharmaceutical formulation demonstrated that iodination of a conserved tyrosine (TyrB26) enhances key properties of a rapid-acting clinical analog. Moreover, the broad utility of halogens in medicinal chemistry has motivated the use of hybrid quantum- and molecular-mechanical methods to study proteins. Here, we (i) undertook quantitative atomistic simulations of 3-[iodo-TyrB26]insulin to predict its structural features, and (ii) tested these predictions by X-ray crystallography. Using an electrostatic model of the modified aromatic ring based on quantum chemistry, the calculations suggested that the analog, as a dimer and hexamer, exhibits subtle differences in aromatic-aromatic interactions at the dimer interface. Aromatic rings (TyrB16, PheB24, PheB25, 3-I-TyrB26, and their symmetry-related mates) at this interface adjust to enable packing of the hydrophobic iodine atoms within the core of each monomer. Strikingly, these features were observed in the crystal structure of a 3-[iodo-TyrB26]insulin analog (determined as an R6 zinc hexamer). Given that residues B24–B30 detach from the core on receptor binding, the environment of 3-I-TyrB26 in a receptor complex must differ from that in the free hormone. Based on the recent structure of a “micro-receptor” complex, we predict that 3-I-TyrB26 engages the receptor via directional halogen bonding and halogen-directed hydrogen bonding as follows: favorable electrostatic interactions exploiting, respectively, the halogen's electron-deficient σ-hole and electronegative equatorial band. Inspired by quantum chemistry and molecular dynamics, such “halogen engineering” promises to extend principles of medicinal chemistry to proteins. PMID:27875310

Using Self-Reflection To Increase Science Process Skills in the General Chemistry Laboratory

NASA Astrophysics Data System (ADS)

Veal, William R.; Taylor, Dawne; Rogers, Amy L.

2009-03-01

Self-reflection is a tool of instruction that has been used in the science classroom. Research has shown great promise in using video as a learning tool in the classroom. However, the integration of self-reflective practice using video in the general chemistry laboratory to help students develop process skills has not been done. Immediate video feedback and direct instruction were employed in a general chemistry laboratory course to improve students' mastery and understanding of basic and advanced process skills. Qualitative results and statistical analysis of quantitative data proved that self-reflection significantly helped students develop basic and advanced process skills, yet did not seem to influence the general understanding of the science content.

Enzymes involved in a novel anaerobic cyclohexane carboxylic acid degradation pathway.

PubMed

Kung, Johannes W; Meier, Anne-Katrin; Mergelsberg, Mario; Boll, Matthias

2014-10-01

The anaerobic degradation of cyclohexane carboxylic acid (CHC) has so far been studied only in Rhodopseudomonas palustris, in which CHC is activated to cyclohexanoyl coenzyme A (cyclohexanoyl-CoA [CHCoA]) and then dehydrogenated to cyclohex-1-ene-1-carboxyl-CoA (CHeneCoA). This intermediate is further degraded by reactions of the R. palustris-specific benzoyl-CoA degradation pathway of aromatic compounds. However, CHeneCoA is not an intermediate in the degradation of aromatic compounds in all other known anaerobic bacteria; consequently, degradation of CHC was mostly unknown in anaerobic bacteria. We identified a previously unknown CHC degradation pathway in the Fe(III)-reducing Geobacter metallireducens by determining the following CHC-induced in vitro activities: (i) the activation of CHC to CHCoA by a succinyl-CoA:CHC CoA transferase, (ii) the 1,2-dehydrogenation of CHCoA to CHeneCoA by CHCoA dehydrogenase, and (iii) the unusual 1,4-dehydrogenation of CHeneCoA to cyclohex-1,5-diene-1-carboxyl-CoA. This last represents a previously unknown joint intermediate of the CHC and aromatic compound degradation pathway in bacteria other than R. palustris. The enzymes catalyzing the three reactions were purified and characterized as specific enzymes after heterologous expression of the encoding genes. Quantitative reverse transcription-PCR revealed that expression of these genes was highly induced during growth with CHC but not with benzoate. The newly identified CHC degradation pathway is suggested to be present in nearly all CHC-degrading anaerobic bacteria, including denitrifying, Fe(III)-reducing, sulfate-reducing, and fermenting bacteria. Remarkably, all three CHC degradation pathways always link CHC catabolism to the catabolic pathways of aromatic compounds. We propose that the capacity to use CHC as a carbon source evolved from already-existing aromatic compound degradation pathways. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

Enzymes Involved in a Novel Anaerobic Cyclohexane Carboxylic Acid Degradation Pathway

PubMed Central

Kung, Johannes W.; Meier, Anne-Katrin; Mergelsberg, Mario

2014-01-01

The anaerobic degradation of cyclohexane carboxylic acid (CHC) has so far been studied only in Rhodopseudomonas palustris, in which CHC is activated to cyclohexanoyl coenzyme A (cyclohexanoyl-CoA [CHCoA]) and then dehydrogenated to cyclohex-1-ene-1-carboxyl-CoA (CHeneCoA). This intermediate is further degraded by reactions of the R. palustris-specific benzoyl-CoA degradation pathway of aromatic compounds. However, CHeneCoA is not an intermediate in the degradation of aromatic compounds in all other known anaerobic bacteria; consequently, degradation of CHC was mostly unknown in anaerobic bacteria. We identified a previously unknown CHC degradation pathway in the Fe(III)-reducing Geobacter metallireducens by determining the following CHC-induced in vitro activities: (i) the activation of CHC to CHCoA by a succinyl-CoA:CHC CoA transferase, (ii) the 1,2-dehydrogenation of CHCoA to CHeneCoA by CHCoA dehydrogenase, and (iii) the unusual 1,4-dehydrogenation of CHeneCoA to cyclohex-1,5-diene-1-carboxyl-CoA. This last represents a previously unknown joint intermediate of the CHC and aromatic compound degradation pathway in bacteria other than R. palustris. The enzymes catalyzing the three reactions were purified and characterized as specific enzymes after heterologous expression of the encoding genes. Quantitative reverse transcription-PCR revealed that expression of these genes was highly induced during growth with CHC but not with benzoate. The newly identified CHC degradation pathway is suggested to be present in nearly all CHC-degrading anaerobic bacteria, including denitrifying, Fe(III)-reducing, sulfate-reducing, and fermenting bacteria. Remarkably, all three CHC degradation pathways always link CHC catabolism to the catabolic pathways of aromatic compounds. We propose that the capacity to use CHC as a carbon source evolved from already-existing aromatic compound degradation pathways. PMID:25112478

Tropospheric jet response to Antarctic ozone depletion: An update with Chemistry-Climate Model Initiative (CCMI) models

NASA Astrophysics Data System (ADS)

Son, Seok-Woo; Han, Bo-Reum; Garfinkel, Chaim I.; Kim, Seo-Yeon; Park, Rokjin; Abraham, N. Luke; Akiyoshi, Hideharu; Archibald, Alexander T.; Butchart, N.; Chipperfield, Martyn P.; Dameris, Martin; Deushi, Makoto; Dhomse, Sandip S.; Hardiman, Steven C.; Jöckel, Patrick; Kinnison, Douglas; Michou, Martine; Morgenstern, Olaf; O’Connor, Fiona M.; Oman, Luke D.; Plummer, David A.; Pozzer, Andrea; Revell, Laura E.; Rozanov, Eugene; Stenke, Andrea; Stone, Kane; Tilmes, Simone; Yamashita, Yousuke; Zeng, Guang

2018-05-01

The Southern Hemisphere (SH) zonal-mean circulation change in response to Antarctic ozone depletion is re-visited by examining a set of the latest model simulations archived for the Chemistry-Climate Model Initiative (CCMI) project. All models reasonably well reproduce Antarctic ozone depletion in the late 20th century. The related SH-summer circulation changes, such as a poleward intensification of westerly jet and a poleward expansion of the Hadley cell, are also well captured. All experiments exhibit quantitatively the same multi-model mean trend, irrespective of whether the ocean is coupled or prescribed. Results are also quantitatively similar to those derived from the Coupled Model Intercomparison Project phase 5 (CMIP5) high-top model simulations in which the stratospheric ozone is mostly prescribed with monthly- and zonally-averaged values. These results suggest that the ozone-hole-induced SH-summer circulation changes are robust across the models irrespective of the specific chemistry-atmosphere-ocean coupling.

EVALUATION OF RAPID, QUANTITATIVE REAL-TIME PCR METHOD FOR ENUMERATION OF PATHOGENIC CANDIDA CELLS IN WATER

EPA Science Inventory

Quantitative Real-Time PCR (QRT-PCR) technology, incorporating fluorigenic 5' nuclease (TaqMan (trademark)) chemistry, was developed for the specific detection and quantification of six pathogenic species of Candida (C. albicans, C. tropicalis, C. krusei, C. parapsilosis, C. glab...

SIP metagenomics identifies uncultivated Methylophilaceae as dimethylsulphide degrading bacteria in soil and lake sediment

PubMed Central

Eyice, Özge; Namura, Motonobu; Chen, Yin; Mead, Andrew; Samavedam, Siva; Schäfer, Hendrik

2015-01-01

Dimethylsulphide (DMS) has an important role in the global sulphur cycle and atmospheric chemistry. Microorganisms using DMS as sole carbon, sulphur or energy source, contribute to the cycling of DMS in a wide variety of ecosystems. The diversity of microbial populations degrading DMS in terrestrial environments is poorly understood. Based on cultivation studies, a wide range of bacteria isolated from terrestrial ecosystems were shown to be able to degrade DMS, yet it remains unknown whether any of these have important roles in situ. In this study, we identified bacteria using DMS as a carbon and energy source in terrestrial environments, an agricultural soil and a lake sediment, by DNA stable isotope probing (SIP). Microbial communities involved in DMS degradation were analysed by denaturing gradient gel electrophoresis, high-throughput sequencing of SIP gradient fractions and metagenomic sequencing of phi29-amplified community DNA. Labelling patterns of time course SIP experiments identified members of the Methylophilaceae family, not previously implicated in DMS degradation, as dominant DMS-degrading populations in soil and lake sediment. Thiobacillus spp. were also detected in 13C-DNA from SIP incubations. Metagenomic sequencing also suggested involvement of Methylophilaceae in DMS degradation and further indicated shifts in the functional profile of the DMS-assimilating communities in line with methylotrophy and oxidation of inorganic sulphur compounds. Overall, these data suggest that unlike in the marine environment where gammaproteobacterial populations were identified by SIP as DMS degraders, betaproteobacterial Methylophilaceae may have a key role in DMS cycling in terrestrial environments. PMID:25822481

Oxidation of a new Biogenic VOC: Chamber Studies of the Atmospheric Chemistry of Methyl Chavicol

NASA Astrophysics Data System (ADS)

Bloss, William; Alam, Mohammed; Adbul Raheem, Modinah; Rickard, Andrew; Hamilton, Jacqui; Pereira, Kelly; Camredon, Marie; Munoz, Amalia; Vazquez, Monica; Vera, Teresa; Rodenas, Mila

2013-04-01

The oxidation of volatile organic compounds (VOCs) leads to formation of ozone and SOA, with consequences for air quality, health, crop yields, atmospheric chemistry and radiative transfer. Recent observations have identified Methyl Chavicol ("MC": Estragole; 1-allyl-4-methoxybenzene, C10H12O) as a major BVOC above pine forests in the USA, and oil palm plantations in Malaysian Borneo. Palm oil cultivation, and hence MC emissions, may be expected to increase with societal food and bio fuel demand. We present the results of a series of simulation chamber experiments to assess the atmospheric fate of MC. Experiments were performed in the EUPHORE facility, monitoring stable product species, radical intermediates, and aerosol production and composition. We determine rate constants for reaction of MC with OH and O3, and ozonolysis radical yields. Stable product measurements (FTIR, PTRMS, GC-SPME) are used to determine the yields of stable products formed from OH- and O3- initiated oxidation, and to develop an understanding of the initial stages of the MC degradation chemistry. A surrogate mechanism approach is used to simulate MC degradation within the MCM, evaluated in terms of ozone production measured in the chamber experiments, and applied to quantify the role of MC in the real atmosphere.

Prebiotic chemistry in eutectic solutions at the water-ice matrix.

PubMed

Menor-Salván, César; Marín-Yaseli, Margarita R

2012-08-21

A crystalline ice matrix at subzero temperatures can maintain a liquid phase where organic solutes and salts concentrate to form eutectic solutions. This concentration effect converts the confined reactant solutions in the ice matrix, sometimes making condensation and polymerisation reactions occur more favourably. These reactions occur at significantly high rates from a prebiotic chemistry standpoint, and the labile products can be protected from degradation. The experimental study of the synthesis of nitrogen heterocycles at the ice-water system showed the efficiency of this scenario and could explain the origin of nucleobases in the inner Solar System bodies, including meteorites and extra-terrestrial ices, and on the early Earth. The same conditions can also favour the condensation of monomers to form ribonucleic acid and peptides. Together with the synthesis of these monomers, the ice world (i.e., the chemical evolution in the range between the freezing point of water and the limit of stability of liquid brines, 273 to 210 K) is an under-explored experimental model in prebiotic chemistry.

[Fundamentals of plasma chemistry and its application to drug engineering].

PubMed

Kuzuya, M

1996-04-01

In this review, our novel research works in both low temperature plasma chemistry and solid state plasma chemistry were described. As for low temperature plasma, the ESR study on plasma-induced radicals of several selected conventional polymers was shown including the detailed analyses of the radical structure and the mechanism by which the radicals were formed on typical degradable methacrylic polymers and cross-linkable polystyrene. One of the pharmaceutical applications of the plasma processing for drug delivery system (DDS) was also described, which includes the preparations of double-compressed tablet consisting of drugs as a core material and various types of polymers as a wall material followed by plasma-irradiation on such a tablet. As for solid state plasma, the detailed reaction mechanism of solid state mechanochemical polymerization was shown including the solid state single electron transfer and the special feature of the resulting polymers. The structural criteria for polymerizable monomer derived from the quantum chemical considerations were also established. Based on the above findings, we synthesized various polymeric prodrugs by mechanochemical polymerization and studied the nature of hydrolyses (drug release).

Soil degradation effect on biological activity in Mediterranean calcareous soils

NASA Astrophysics Data System (ADS)

Roca-Pérez, L.; Alcover-Sáez, S.; Mormeneo, S.; Boluda, R.

2009-04-01

Soil degradation processes include erosion, organic matter decline, compaction, salinization, landslides, contamination, sealing and biodiversity decline. In the Mediterranean region the climatological and lithological conditions, together with relief on the landscape and anthropological activity are responsible for increasing desertification process. It is therefore considered to be extreme importance to be able to measure soil degradation quantitatively. We studied soil characteristics, microbiological and biochemical parameters in different calcareous soil sequences from Valencia Community (Easter Spain), in an attempt to assess the suitability of the parameters measured to reflect the state of soil degradation and the possibility of using the parameters to assess microbiological decline and soil quality. For this purpose, forest, scrubland and agricultural soil in three soil sequences were sampled in different areas. Several sensors of the soil biochemistry and microbiology related with total organic carbon, microbial biomass carbon, soil respiration, microorganism number and enzyme activities were determined. The results show that, except microorganism number, these parameters are good indicators of a soil biological activity and soil quality. The best enzymatic activities to use like indicators were phosphatases, esterases, amino-peptidases. Thus, the enzymes test can be used as indicators of soil degradation when this degradation is related with organic matter losses. There was a statistically significant difference in cumulative O2 uptake and extracellular enzymes among the soils with different degree of degradation. We would like to thank Spanish government-MICINN for funding and support (MICINN, project CGL2006-09776).

National Chemistry Week 2000: JCE Resources in Food Chemistry

NASA Astrophysics Data System (ADS)

Jacobsen, Erica K.

2000-10-01

November brings another National Chemistry Week, and this year's theme is food chemistry. I was asked to collect and evaluate JCE resources for use with this theme, a project that took me deep into past issues of JCE and yielded many treasures. Here we present the results of searches for food chemistry information and activities. While the selected articles are mainly at the high school and college levels, there are some excellent ones for the elementary school level and some that can be adapted for younger students. The focus of all articles is on the chemistry of food itself. Activities that only use food to demonstrate a principle other than food chemistry are not included. Articles that cover household products such as cleansers and pharmaceuticals are also not included. Each article has been characterized as a demonstration, experiment, calculation, activity, or informational item; several fit more than one classification. Also included are keywords and an evaluation as to which levels the article may serve.

Kinetics of aflatoxin degradation during peanut roasting.

PubMed

Martins, Ligia M; Sant'Ana, Anderson S; Iamanaka, Beatriz T; Berto, Maria Isabel; Pitt, John I; Taniwaki, Marta H

2017-07-01

This study investigated aflatoxin degradation during peanut roasting. First, peanuts contaminated with three initial aflatoxin concentrations (35, 332 and 695μg/kg) were roasted at 180°C for up to 20min. The percentage of aflatoxin degradation after 20min were 55, 64 and 81% for peanuts contaminated with aflatoxin at 35, 332 and 695μg/kg, respectively. This difference was statistically significant (p<0.05), showing that initial concentration influences aflatoxin reduction. Thereafter, peanut samples contaminated with an initial aflatoxin concentration of 85μg/kg were roasted at 160, 180 and 200°C for 5, 10, 15, 20 and 25min, then residual concentrations of aflatoxin were determined. Roasting at 160, 180 and 200°C resulted in an aflatoxin reduction of 61.6, 83.6 and 89.7%, respectively. This study has provided quantitative data reinforcing the fact that roasting alone is not enough to control aflatoxins in peanuts. Copyright © 2017 Elsevier Ltd. All rights reserved.

Coherence of Physics and Chemistry Curricula in Terms of the Electron Concept

NASA Astrophysics Data System (ADS)

Elena, Ivanova

2016-08-01

One of the major contradictions in subject teaching is the contradiction between the unity of the world and the discrete separated generalized content of natural sciences that study natural phenomena. These are physics, chemistry, biology and more. One can eliminate the conflict if opens the content's interdisciplinary links set by the events that are studied by different disciplines. The corresponding contexts of the phenomenon content arise depending on the discipline, and they are not enough coordinated. Obviously, we need a mechanism that allows establishing interdisciplinary links in the content quickly and without losing the logic of the material and assess their coherence in academic disciplines. This article uses a quantitative method of coherence assessment elaborated by T.N. Gnitetskaya. The definition of the concept of the semantic state introduced by the authors is given in this article. The method is applied to coherence assessment of physics and chemistry textbooks. The coherence of two pairs of chemistry and physics textbooks by different authors in different combinations was calculated. The most cohered pairs of textbooks (chemistry-physics) were identified. One can recommend using the pair of textbooks for eighth grade that we offered that favors the development of holistic understandings of the world around us.

Development of Bioorthogonally Degradable Linkers and Polymers Using alpha-Azidoethers

NASA Astrophysics Data System (ADS)

Rajagopalan, Chandrasekhar Ramasubramanian

Degradable polymers have gained a lot of attention in recent years for applications in biotechnology and medicine. External control over polymer degradation can be obtained by incorporating functional groups that cleave in the presence of triggers that would normally be absent in biological environments, i.e. are bioorthogonal. This thesis explores the use of chemically cleavable alpha-azidoethers as a new method to obtain external control over the degradation behavior of polymers. My first goal is to illustrate the potential of alpha-azidoethers toward developing cleavable linkers. We have studied the relationship between alpha-azidoether structure and hydrolytic stability, to prepare linkers that withstand background hydrolytic cleavage until they are exposed to the cleaving trigger. The cleavage kinetics of the alpha-azidoether functional group was quantified. In addition to the conventionally used tris(2-carboxyethyl)phosphine (TCEP), dihydrolipoic acid (DHLA), a previously unexplored, biocompatible reducing agent, was also evaluated as a cleaving trigger. Based on these results, we have proposed design rules for utilizing alpha-azidoethers as cleavable linkers in applications that require bioorthogonal control over linker cleavage. Secondly, the alpha-azidoether cleavable linker chemistry was implemented into the development of polymeric materials. Two different types of polymers were developed. Polyamides incorporating alpha-azidoethers along the backbone were synthesized, and their physical properties and chemically triggered degradation behavior were characterized. The degradation timescale of these polymers can be tuned simply by manipulating the concentration of the externally applied chemical trigger. The alpha-azidoether functional group was then utilized to develop a unique triggered-release polymeric adhesive for potential applications in dental adhesive formulations. A methacrylamide-phosphonate adhesive monomer incorporating an alpha

First derivative spectrophotometric and LC determination of benoxinate hydrochloride and its degradation products.

PubMed

El-Gindy, A

2000-03-01

Two methods are presented for the determination of benoxinate HCI and its acid and alkali-induced degradation products using first derivative (1D) spectrophotometry with zero-crossing measurements and liquid chromatography. Benoxinate HCl was determined by measurement of its first derivative amplitude in mcllvaine's-citric acid phosphate buffer pH 7.0 at 268.4 and 272.4 nm in the presence of its alkali- and acid-induced degradation products, respectively. The acid- and alkali-induced, degradation products were determined by measurement of their first derivative amplitude in the same solvent at 307.5 nm. The LC method depends upon using a mu bondapak CN column with a mobile phase consisting of acetonitrile-water triethylamine (60:40:0.01, v/v) and adjusted to apparent pH 7. Quantitation was achieved with UV detection at 310 nm based on peak area. The proposed methods were utilized to investigate the kinetics of the acidic and alkaline degradation processes at different temperatures. The pH-rate profile of degradation of benoxinate HCl in Britton-Robinson buffer solutions was studied.

Indexing Permafrost Soil Organic Matter Degradation Using High-Resolution Mass Spectrometry.

PubMed

Mann, Benjamin F; Chen, Hongmei; Herndon, Elizabeth M; Chu, Rosalie K; Tolic, Nikola; Portier, Evan F; Roy Chowdhury, Taniya; Robinson, Errol W; Callister, Stephen J; Wullschleger, Stan D; Graham, David E; Liang, Liyuan; Gu, Baohua

2015-01-01

Microbial degradation of soil organic matter (SOM) is a key process for terrestrial carbon cycling, although the molecular details of these transformations remain unclear. This study reports the application of ultrahigh resolution mass spectrometry to profile the molecular composition of SOM and its degradation during a simulated warming experiment. A soil sample, collected near Barrow, Alaska, USA, was subjected to a 40-day incubation under anoxic conditions and analyzed before and after the incubation to determine changes of SOM composition. A CHO index based on molecular C, H, and O data was utilized to codify SOM components according to their observed degradation potentials. Compounds with a CHO index score between -1 and 0 in a water-soluble fraction (WSF) demonstrated high degradation potential, with a highest shift of CHO index occurred in the N-containing group of compounds, while similar stoichiometries in a base-soluble fraction (BSF) did not. Additionally, compared with the classical H:C vs O:C van Krevelen diagram, CHO index allowed for direct visualization of the distribution of heteroatoms such as N in the identified SOM compounds. We demonstrate that CHO index is useful not only in characterizing arctic SOM at the molecular level but also enabling quantitative description of SOM degradation, thereby facilitating incorporation of the high resolution MS datasets to future mechanistic models of SOM degradation and prediction of greenhouse gas emissions.

The Quantitative Preparation of Future Geoscience Graduate Students

NASA Astrophysics Data System (ADS)

Manduca, C. A.; Hancock, G. S.

2006-12-01

. Calculus, calculus-based physics, chemistry, statistics, programming and linear algebra were viewed as important course preparation for a successful graduate experience. A set of recommendations for departments and for new community resources includes ideas for infusing quantitative reasoning throughout the undergraduate experience and mechanisms for learning from successful experiments in both geoscience and mathematics. A full list of participants, summaries of the meeting discussion and recommendations are available at http://serc.carleton.edu/quantskills/winter06/index.html. These documents, crafted by a small but diverse group can serve as a starting point for broader community discussion of the quantitative preparation of future geoscience graduate students.

Chemistry in the Comics: Part 2. Classic Chemistry.

ERIC Educational Resources Information Center

Carter, Henry A.

1989-01-01

Describes topics in chemistry as related in the Classics Illustrated publications. Provides a list from "The Pioneers of Science" series with issue date, number, and biograhical topic. Lists references to topics in chemistry. Presents many pages from these comics. (MVL)

The Significance of the Origin of Physical Chemistry for Physical Chemistry Education: The Case of Electrolyte Solution Chemistry

ERIC Educational Resources Information Center

de Berg, Kevin Charles

2014-01-01

Physical Chemistry's birth was fraught with controversy, a controversy about electrolyte solution chemistry which has much to say about how scientific knowledge originates, matures, and responds to challenges. This has direct implications for the way our students are educated in physical chemistry in particular and science in general. The…

Behavior of cellulose-degrading bacteria in thermophilic anaerobic digestion process.

PubMed

Syutsubo, K; Nagaya, Y; Sakai, S; Miya, A

2005-01-01

Previously, we found that the newly isolated Clostridium sp. strain JC3 became the dominant cellulose-degrading bacterium in thermophilic methanogenic sludge. In the present study, the behavior of strain JC3 in the thermophilic anaerobic digestion process was investigated quantitatively by molecular biological techniques. A cellulose-degrading experiment was conducted at 55 degrees C with a 9.5 L of anaerobic baffled reactor having three compartments (Nos. 1, 2, 3). Over 80% of the COD input was converted into methane when 2.5 kgCOD m(-3) d(-1) was loaded for an HRT of 27 days. A FISH probe specific for strain JC3 was applied to sludge samples harvested from the baffled reactor. Consequently, the ratio of JC3 cells to DAPI-stained cells increased from below 0.5% (undetectable) to 9.4% (compartment 1), 13.1% (compartment 2) and 21.6% (compartment 3) at day 84 (2.5 kgCOD m(-3)d(-1)). The strain JC3 cell numbers determined by FISH correlated closely with the cellulose-degrading methanogenic activities of retained sludge. A specific primer set targeting the cellulase gene (cellobiohydrolaseA: cbhA) of strain JC3 was designed and applied to digested sludge for treating solid waste such as coffee grounds, wastepaper, garbage, cellulose and so on. The strain JC3 cell numbers determined by quantitative PCR correlated closely with the cellulose-sludge loading of the thermophilic digester. Strain JC3 is thus important in the anaerobic hydrolysis of cellulose in thermophilic anaerobic digestion processes.

Chemistry on Stamps.

ERIC Educational Resources Information Center

Schreck, James O.

1986-01-01

Suggests how postage stamps can be incorporated into chemistry teaching. Categories considered include emergence of chemistry as a science, metric system, atoms (and molecules and ions), stoichiometry, energy relationships in chemical systems, chemical bonding, nuclear chemistry, biochemistry, geochemistry, matter (gases, liquids, and solids),…

Is Chemistry Attractive for Pupils? Czech Pupils' Perception of Chemistry

ERIC Educational Resources Information Center

Kubiatko, Milan

2015-01-01

Chemistry is an important subject due to understanding the composition and structure of the things around us. The main aim of the study was to find out the perception of chemistry by lower secondary school pupils. The partial aims were to find out the influence of gender, year of study and favorite subject on the perception of chemistry. The…

Assessment of student learning with hypermedia tools in first-year college chemistry

NASA Astrophysics Data System (ADS)

Skov, Neil Martin

Learning chemistry is difficult for some students. In response to this difficulty, many educators argue that hypermedia technology can promote learning of abstract chemistry concepts. This research assesses learning outcomes and use patterns exhibited by first-year college general chemistry students using an instructional hypermedia system called Seeing Through Chemistry (STC) as part of their first course. STC was designed to help students with inadequate preparation for college chemistry. The assessment answers two questions: (a) do students learn from instructional hypermedia, and (b) what kind of students benefit from this medium? This non-experimental, quantitative research involved 82 student volunteers in their first college chemistry course. Data include SAT scores, high school science and mathematics grades, career orientation, chemistry placement score, motivation, laboratory and lecture section enrollment, and chemistry course grade. The investigation requires two specialized assessment tools: a measure of conceptual understanding of acids and bases, and a measure of cognitive engagement with hypermedia. Data analysis methods include two causal path models to examine hypermedia use and learning outcomes: one showing STC's effect on overall chemistry course performance, and the other demonstrating the effect of a single STC module on students' conceptual knowledge of acids and bases. Though there is no significant effect on course grade, the second analysis shows statistically significant learning from students' work with instructional hypermedia. Both causal models demonstrate that students with poorer preparation for college chemistry used STC more than students with better preparation, which matches the designers' intent. Some better prepared students were relatively more motivated to use the hypermedia system. Other findings show positive effects of high school science and college laboratory coursework on concept learning. This research informs the

Towards "Bildung"-Oriented Chemistry Education

ERIC Educational Resources Information Center

Sjöström, Jesper

2013-01-01

This paper concerns "Bildung"-oriented chemistry education, based on a reflective and critical discourse of chemistry. It is contrasted with the dominant type of chemistry education, based on the mainstream discourse of chemistry. "Bildung"-oriented chemistry education includes not only content knowledge in chemistry, but also…

Catabolism and biotechnological applications of cholesterol degrading bacteria

PubMed Central

García, J. L.; Uhía, I.; Galán, B.

2012-01-01

Summary Cholesterol is a steroid commonly found in nature with a great relevance in biology, medicine and chemistry, playing an essential role as a structural component of animal cell membranes. The ubiquity of cholesterol in the environment has made it a reference biomarker for environmental pollution analysis and a common carbon source for different microorganisms, some of them being important pathogens such as Mycobacterium tuberculosis. This work revises the accumulated biochemical and genetic knowledge on the bacterial pathways that degrade or transform this molecule, given that the characterization of cholesterol metabolism would contribute not only to understand its role in tuberculosis but also to develop new biotechnological processes that use this and other related molecules as starting or target materials. PMID:22309478

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.

PubMed

Tobiszewski, Marek; Marć, Mariusz; Gałuszka, Agnieszka; Namieśnik, Jacek

2015-06-12

The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.

Exploration of Fluorine Chemistry at the Multidisciplinary Interface of Chemistry and Biology

PubMed Central

Ojima, Iwao

2013-01-01

Over the last three decades, my engagement in “fluorine chemistry” has evolved substantially, because of the multidisciplinary nature of the research programs. I began my research career as a synthetic chemist in organometallic chemistry and homogeneous catalysis directed toward organic synthesis. Then, I was brought into a very unique world of “fluorine chemistry” in the end of 1970s. I started exploring the interface of fluorine chemistry and transition metal homogeneous catalysis first, which was followed by amino acids, peptides, and peptidomimetics for medicinal chemistry. Since then, I have been exploring the interfaces of fluorine chemistry and multidisciplinary fields of research involving medicinal chemistry, chemical biology, cancer biology and molecular imaging. This perspective intends to cover my fruitful endeavor in the exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology in a chronological order to show the evolution of my research interest and strategy. PMID:23614876

Mechanism of strength degradation for hot corrosion of alpha-SiC

NASA Technical Reports Server (NTRS)

Smialek, J. L.; Jacobson, N. S.

1984-01-01

Sintered alpha SiC was corroded by thin films of Na2SO4 and Na2CO3 molten salts at 1000%. This hot corrosion attack reduced room temperature strengths by as much as 50%. Strength degradation was porportional to the degree and uniformity of corrosion pitting attack as controlled by the chemistry of the molten salt. Extensive fractography identified corrosion pits as the most prevalent source of failure. A fracture mechanics treatment of the strength/pit depth relationship produced an average K sub IC equal to 2.6 MPa sub m 1/2, which is consistent with published values.

Mechanism of strength degradation for hot corrosion of alpha-SiC

NASA Technical Reports Server (NTRS)

Smialek, James L.; Jacobson, Nathan S.

1986-01-01

Sintered alpha SiC was corroded by thin films of Na2SO4 and Na2CO3 molten salts at 1000 percent. This hot corrosion attack reduced room temperature strengths by as much as 50 percent. Strength degradation was proportional to the degree and uniformity of corrosion pitting attack as controlled by the chemistry of the molten salt. Extensive fractography identified corrosion pits as the most prevalent source of failure. A fracture mechanics treatment of the strength/pit depth relationship produced an average K sub IC equal to 2.6 MPa sub m 1/2, which is cnsistent ith published values.

Analytical capabilities and services of Lawrence Livermore Laboratory's General Chemistry Division. [Methods available at Lawrence Livermore

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

Gutmacher, R.; Crawford, R.

This comprehensive guide to the analytical capabilities of Lawrence Livermore Laboratory's General Chemistry Division describes each analytical method in terms of its principle, field of application, and qualitative and quantitative uses. Also described are the state and quantity of sample required for analysis, processing time, available instrumentation, and responsible personnel.

A New Chemistry Course for Non-Chemistry Majors.

ERIC Educational Resources Information Center

Ariel, Magda; And Others

1982-01-01

A two-semester basic chemistry course for nonchemistry engineering majors is described. First semester provides introductory chemistry for freshmen while second semester is "customer-oriented," based on a departmental choice of three out of six independent modules. For example, aeronautical engineering "customers" would select…

Enhancing undergraduate students' chemistry understanding through project-based learning in an IT environment

NASA Astrophysics Data System (ADS)

Barak, Miri; Dori, Yehudit Judy

2005-01-01

Project-based learning (PBL), which is increasingly supported by information technologies (IT), contributes to fostering student-directed scientific inquiry of problems in a real-world setting. This study investigated the integration of PBL in an IT environment into three undergraduate chemistry courses, each including both experimental and control students. Students in the experimental group volunteered to carry out an individual IT-based project, whereas the control students solved only traditional problems. The project included constructing computerized molecular models, seeking information on scientific phenomena, and inquiring about chemistry theories. The effect of the PBL was examined both quantitatively and qualitatively. The quantitative analysis was based on a pretest, a posttest, and a final examination, which served for comparing the learning gains of the two research groups. For the qualitative analysis, we looked into the experimental students' performance, as reflected by the projects they had submitted. In addition, think alou interviews and observations helped us gain insight into the students' conceptual understanding of molecular structures. Students who participated in the IT-enhanced PBL performed significantly better than their control classmates not only on their posttest but also on their course final examination. Analyzing the qualitative findings, we concluded that the construction of computerized models and Web-based inquiry activities helped promote students' ability of mentally traversing the four levels of chemistry understanding: symbolic, macroscopic, microscopic, and process. More generally, our results indicated that incorporating IT-rich PBL into freshmen courses can enhance students' understanding of chemical concepts, theories, and molecular structures.

College Chemistry: how a textbook can reveal the values embedded in chemistry.

PubMed

Bensaude-Vincent, Bernadette

2007-12-01

This paper explores the norms, values and ethical attitudes that Linus Pauling wanted to convey to his students in his famous textbook College Chemistry. In this classic textbook, Pauling aimed to introduce beginners into the world of chemistry by presenting chemistry as a systematic science based on a collection of empirical data and a recent theoretical framework. In doing so, he expressed his epistemic and didactic choices clearly. College Chemistry therefore offers an ideal opportunity to examine some of the norms at the core of chemistry's 'moral economy'.

Tracking chemistry self-efficacy and achievement in a preparatory chemistry course

NASA Astrophysics Data System (ADS)

Garcia, Carmen Alicia

Self-efficacy is a person's own perception about performing a task with a certain level of proficiency (Bandura, 1986). An important affective aspect of learning chemistry is chemistry self-efficacy (CSE). Several researchers have found chemistry self-efficacy to be a fair predictor of achievement in chemistry. This study was done in a college preparatory chemistry class for science majors exploring chemistry self-efficacy and its change as it relates to achievement. A subscale of CAEQ, Chemistry Attitudes and Experiences Questionnaire (developed by Dalgety et al, 2003) as well as student interviews were used to determine student chemistry self-efficacy as it changed during the course. The questionnaire was given to the students five times during the semester: in the first class and the class before each the four tests taken through the semester. Twenty-six students, both men and women, of the four major races/ethnicities were interviewed three times during the semester and events that triggered changes in CSE were followed through the interviews. HLM (hierarchical linear modeling) was used to model the results of the CSE surveys. Among the findings, women who started at significantly lower CSE than men accomplished a significant gain by the end of the semester. Blacks' CSE trends through the semester were found to be significantly different from the rest of the ethnicities.

Measurement requirements and techniques for degradation studies and lifetime prediction testing of photovoltaic modules

NASA Technical Reports Server (NTRS)

Noel, G. T.; Sliemers, F. A.; Derringer, G. C.; Wood, V. E.; Wilkes, K. E.; Gaines, G. B.; Carmichael, D. C.

1978-01-01

Tests of weathering and aging behavior are being developed to characterize the degradation and predict the lifetimes of low-cost photovoltaic arrays. Environmental factors which affect array performance include UV radiation, thermal energy, water, oxygen (generally involved in synergistic effects with UV radiation or high temperatures), physical stress, pollutants (oxides of nitrogen, sulfur dioxide and ozone), abrasives and dirt. A survey of photovoltaic array testing has shown the need to establish quantitative correlations between certain measurable properties (carbonyl formation, glass transition temperature, and molecular weight change) and modes of degradation and failure.

Green Chemistry Pedagogy

NASA Astrophysics Data System (ADS)

Kolopajlo, Larry

2017-02-01

This chapter attempts to show how the practice of chemistry teaching and learning is enriched by the incorporation of green chemistry (GC) into lectures and labs. To support this viewpoint, evidence from a wide range of published papers serve as a cogent argument that GC attracts and engages both science and nonscience students, enhances chemistry content knowledge, and improves the image of the field, while preparing the world for a sustainable future. Published pedagogy associated with green and sustainable chemistry is critically reviewed and discussed.

Transuranic Computational Chemistry.

PubMed

Kaltsoyannis, Nikolas

2018-02-26

Recent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems. The role of the metal valence orbitals in covalent bonding is a particular focus, especially the consequences of the stabilization of the 5f orbitals as the actinide series is traversed. The fledgling chemistry of transuranic elements in the +II oxidation state is highlighted. Throughout, the symbiotic interplay of experimental and computational studies is emphasized; the extraordinary challenges of experimental transuranic chemistry afford computational chemistry a particularly valuable role at the frontier of the periodic table. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemistry Notes

ERIC Educational Resources Information Center

School Science Review, 1976

1976-01-01

Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

Planetary Sources for Reducing Sulfur Compounds for Cyanosulfidic Origins of Life Chemistry

NASA Astrophysics Data System (ADS)

Ranjan, S.; Todd, Z. R.; Sutherland, J.; Sasselov, D. D.

2017-12-01

A key challenge in origin-of-life studies is understanding the chemistry that lead to the origin of the key biomolecules of life, such as the components of nucleic acids, sugars, lipids, and proteins. Prebiotic reaction networks based upon reductive homologation of nitriles (e.g., Patel et al. 2015), are building a tantalizing picture of sustained abiotic synthesis of activated ribonucleotides, amino acids and lipid precursors under environmental conditions thought to have been available on early Earth. Sulfidic anions in aqueous solution (e.g., HS-, HSO3-) under near-UV irradiation play important roles in these chemical pathways. However, the sources and availability of these anions on early Earth have not yet been quantitatively constrained. Here, we evaluate the potential for the atmosphere to serve as a source of sulfidic anions, via dissolution of volcanically-outgassed SO2 and H2S into water reservoirs. We combine photochemical modeling from the literature (Hu et al. 2013) with equilibrium chemistry calculations to place constraints on the partial pressures of SO2 and H2S required to reach the elevated concentrations of sulfidic anions (≥1 μM) thought to be necessary for prebiotic chemistry. We find that micromolar levels of SO2-derived anions (HSO3-, SO3(2-)) are possible through simple exposure of aqueous reservoirs like shallow lakes to the atmosphere, assuming total sulfur emission flux comparable to today. Millimolar levels of these compounds are available during the epochs of elevated volcanism, due to elevated sulfur emission flux. Radiative transfer modeling suggests the atmospheric sulfur will not block the near-UV radiation also required for the cyanosulfidic chemistry. However, H2S-derived anions (e.g., HS-) reach only sub-micromolar levels from atmospheric sources, meaning that prebiotic chemistry invoking such molecules must invoke specialized, local sources. Prebiotic chemistry invoking SO2-derived anions may be considered more robust than

On the detection of early osteoarthritis by quantitative microscopic imaging

NASA Astrophysics Data System (ADS)

Mittelstaedt, Daniel John

Articular cartilage is a thin layer of connective tissue that protects the ends of bones in diarthroidal joints. Cartilage distributes mechanical forces during daily movement throughout its unique depth-dependent structure. The extracellular matrix (ECM) of cartilage primarily contains water, collagen, and glycosaminoglycan (GAG). The collagen fibers are intertwined with negatively charged GAG and surround the cells (i.e. chondrocytes) in cartilage. Degradation to the ECM reduces the load bearing properties of cartilage which can be initiated by injury (e.g. anterior cruciate ligament (ACL) rupture) or disease (e.g. osteoarthritis (OA)). Magnetic resonance imaging (MRI) and x-ray computed tomography (CT) are noninvasive imaging techniques that are increasingly being used in the clinical detection of cartilage degradation. The aim of the first project in this dissertation was to quantify and compare the depth-dependent GAG concentration from healthy and biochemically degraded humeral ex vivo articular cartilage using quantitative contrast enhanced micro-computed tomography (qCECT) at high resolution. The second project in this dissertation was aimed to measure the topographical and depth-dependent GAG concentration using qCECT and delayed gadolinium enhanced magnetic resonance imaging of cartilage (dGEMRIC) from the medial tibia cartilage three weeks after unilateral ACL transection which is an animal model of OA (i.e. modified Pond-Nuki model). These GAG measurements were correlated with a biochemical method, inductively couple plasma optical emission spectrometry, to compare the degradation on the medial tibia between the OA and contralateral cartilage. The third project in this dissertation used the same cartilage specimens as in project two to investigate the change in T2 due to OA and the effect on T2 from a contrast agent. Furthermore, the change in T2 relaxation was investigated from static unconfined compression with correlations by biomechanical

Chemistry and Art.

ERIC Educational Resources Information Center

Berry, Martyn

1999-01-01

Describes a Chemistry and Art project developed for secondary students and teachers sponsored by the National Gallery and The Royal Society of Chemistry in the United Kingdom. Discusses aspects of the techniques used in creating five paintings as well as the chemistry involved in their making, deterioration, conservation, and restoration.…

Teaching School Chemistry.

ERIC Educational Resources Information Center

Waddington, D. J., Ed.

This eight-chapter book is intended for use by chemistry teachers, curriculum developers, teacher educators, and other key personnel working in the field of chemical education. The chapters are: (1) "The Changing Face of Chemistry" (J. A. Campbell); (2) "Curriculum Innovation in School Chemistry" (R. B. Ingel and A. M.…

Emission properties of pristine and oxidatively degraded polyfluorene type polymers

NASA Astrophysics Data System (ADS)

Gamerith, Stefan; Gadermaier, Christoph; Scherf, Ullrich; List, Emil J. W.

2004-05-01

We present a detailed and comprehensive picture of the photophysics including device applications within the polyfluorene family of conjugated polymers. First, the photophysics of pristine polyfluorenes in solution and film is outlined, including a discussion of the so-called -phase, which is characterised by a more planar ground state configuration. Particular attention is also dedicated to the occurence of low energy emission bands, which often deteriorate the initially blue emission of polyfluorenes, especially in electroluminescent devices. Although the origin of these emission features has been the object of a controversial discussion, strong evidence for our current ascription to emissive on-chain fluorenone defects is given also in contrast to previous assignments to aggregates, excimers, or exciplexes. According to the current attribution fluorenone-containing polyfluorenes can be described as a guest host system. Following this picture the photoexcitation dynamics from the fs to the ms regime is outlined. Finally, polymer light emitting diodes (PLEDs) based on polyfluorene-type emitters are discussed, especially related to their degradation mechanisms and possible remedies provided by chemistry to reduce the oxidative degradation of polyfluorene-based PLEDs.

Syntheses and Degradations of Fluorinated Heterocyclics. 2; Perfluoroalkyl and Perfluroalkylether-1,2,4-Oxadiazoles

NASA Technical Reports Server (NTRS)

Paciorek, K. J. L.; Kratzer, R. H.; Kaufman, J.; Nakahara, J. H.; Rosser, R. W.; Parker, J. A.

1977-01-01

3-Perfluoroalkylether-5-perfluoro-n-heptyl-1,2,4-oxadiazole and 3,S-bis(perfluoroalkylether)-1,2,4-oxadiazole were synthesized and characterized. The 3, 5-bis(perfluoroalkylether)-l, 2,4-oxadiazole was subjected to thermal, thermal oxidative, and hydrolytic degradations at 235 and 325 C and was found to be stable under these conditions as evidenced by practically quantitative recovery of the test samples. In the presence of Jet-A fuel at 235 C a low degree of degradation, approximately 4%, was observed. 3,5-Bis(perfluoro-n-heptyl)-1,2,4-oxadiazole was found to be stable to attack by water at 325 C; however in air in the presence of jet-A at 235 C the extent of degradation was in excess of 10%.

Interfacial chemistry of a perfluoropolyether lubricant studied by X-ray photoelectron spectroscopy and temperature desorption spectroscopy

NASA Technical Reports Server (NTRS)

Herrera-Fierro, Pilar; Jones, William R., Jr.; Pepper, Stephen V.

1993-01-01

The interfacial chemistry of Fomblin Z25, a commercial perfluoropolyether used as lubricant for space applications was studied with different metallic surfaces: 440C steel, gold, and aluminum. Thin layers of Fomblin Z25 were evaporated onto the oxide-free substrates, and the interfacial chemistry was studied using XPS and TDS. The reactions were induced by heating the substrate and by rubbing the substrate with a steel ball. Gold was found to be completely unreactive towards Fomblin at any temperature. Reaction at room temperature was observed only in the case of the aluminum substrate, the most reactive towards Fomblin Z25 of the substrates studied. It was necessary to heat the 440C steel substrate to 190 C to induce decomposition of the fluid. The degradation of the fluid was indicated by the formation of a debris layer at the interface. This debris layer, composed of inorganic and organic reaction products, when completely formed, passivated the surface from further attack to the Fromblin on top. The tribologically induced reactions on 440C steel formed a debris layer of similar chemical characteristics to the thermally induced layer. In all cases, the degradation reaction resulted in preferential consumption of the difluoroformyl carbon (-OCF2O-).

ENVIRONMENTAL CHEMISTRY

EPA Science Inventory

Environmental chemistry is applied to estimating the exposure of ecosystems and humans to various chemical environmental stressors. Among the stressors of concern are mercury, pesticides, and arsenic. Advanced analytical chemistry techniques are used to measure these stressors ...

The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

NASA Technical Reports Server (NTRS)

Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

1994-01-01

Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

EVALUATION OF A RAPID, QUANTITATIVE REAL-TIME PCR METHOD FOR ENUMERATION OF PATHOGENIC CANDIDA CELLS IN WATER

EPA Science Inventory

Quantitative Real-Time PCR (QRT-PCR) technology, incorporating fluorigenic 5' nuclease (TaqMan?) chemistry, was developed for the specific detection and quantification of six pathogenic species of Candida (C. albicans, C. tropicalis, C. krusei, C. parapsilosis, C. glabrata and C....

Exploring the Sources of Turkish Pre-Service Chemistry Teachers' Chemistry Self-Efficacy Beliefs

ERIC Educational Resources Information Center

Uzuntiryaki, Esen

2008-01-01

This study aimed to examine the underlying sources in developing chemistry self-efficacy beliefs of Turkish pre-service chemistry teachers. For this purpose, the College Chemistry Selfefficacy Scale (CCSS) was administered to 20 pre-service chemistry teachers. Then, phenomenological approach was employed and semi-structured interviews were…

Micellar modification of drug stability: analysis of the effect of hexadecyltrimethylammonium halides on the rate of degradation of cephaclor.

PubMed

Oliveira, A G; Cuccovia, I M; Chaimovich, H

1990-01-01

The intra- and intermolecular rates of degradation of cephaclor were determined with and without hexadecyltrimethylammonium bromide (CTABr). Micellar-derived spectral shifts were used to measure the association of the ionic forms as well as to determine the effect of CTABr on the apparent acid dissociation constant of the antibiotic. The rate of degradation of cephaclor increased with detergent and was salt sensitive. Micellar effects were analyzed quantitatively within the framework of the pseudophase ion exchange model. All experimental data were fitted to this model which was used to predict the combined effects of pH and detergent concentration. Micelles increased the rate of OH- attack on cephaclor; most of the effect was due to the concentration of reagents in the micellar pseudophase. The intramolecular degradation was catalyzed 25-fold by micelles, and a working hypothesis to rationalize this effect is proposed. The results demonstrate that quantitative analysis can be utilized to assess and predict effects of detergents on drug stability.

History of Chemistry.

ERIC Educational Resources Information Center

Servos, John W.

1985-01-01

Discusses the development of chemistry in the United States by considering: (1) chemistry as an evolving body of ideas/techniques, and as a set of conceptual resources affecting and affected by the development of other sciences; and (2) chemistry related to the history of American social and economic institutions and practices. (JN)

Chemistry Notes.

ERIC Educational Resources Information Center

School Science Review, 1983

1983-01-01

Presents background information, laboratory procedures, classroom materials/activities, and chemistry experiments. Topics include sublimation, electronegativity, electrolysis, experimental aspects of strontianite, halide test, evaluation of present and future computer programs in chemistry, formula building, care of glass/saturated calomel…

Chemistry Notes

ERIC Educational Resources Information Center

School Science Review, 1972

1972-01-01

Thirteen ideas are presented that may be of use to chemistry teachers. Topics covered include vitamin C, industrial chemistry, electrical conductivity, electrolysis, alkali metals, vibration modes infra-red, dynamic equilibrium, and some new demonstrations in gaseous combinations. (PS)

Chemistry Dashboard

EPA Pesticide Factsheets

The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemistry Dashboard provides access to a variety of information on over 700,000 chemicals currently in use.

Elaboration of Copper-Oxygen Mediated C–H Activation Chemistry in Consideration of Future Fuel and Feedstock Generation

PubMed Central

Lee, Jung Yoon; Karlin, Kenneth D

2015-01-01

To contribute solutions for current energy concerns, improvements in the efficiency of C-H bond cleavage chemistry, e.g., selective oxidation of methane to methanol, could minimize losses in natural gas usage or produce feedstocks for fuels. Oxidative C-H activation is also a component of polysaccharide degradation, affording alternative biofuels from abundant biomass. Thus, an understanding of active-site chemistry in copper monooxygenases, those activating strong C-H bonds is briefly reviewed. Then, recent advances in the synthesis-generation and study of various copper-oxygen intermediates are highlighted. Of special interest are cupric-superoxide, Cu-hydroperoxo and Cu-oxy complexes. Such investigations can contribute to an enhanced future application of C-H oxidation or oxygenation processes using air, as concerning societal energy goals. PMID:25756327

Microbial degradation of sulfentrazone in a Brazilian rhodic hapludox soil

PubMed Central

Martinez, Camila O.; Silva, Celia Maria M. S.; Fay, Elisabeth F.; Abakerli, Rosangela B.; Maia, Aline H. N.; Durrant, Lucia R.

2010-01-01

Sulfentrazone is amongst the most widely used herbicides for treating the main crops in the State of São Paulo, Brazil, but few studies are available on the biotransformation of this compound in Brazilian soils. Soil samples of Rhodic Hapludox soil were supplemented with sulfentrazone (0.7 µg active ingredient (a.i.) g-1 soil) and maintained at 27°C. The soil moisture content was corrected to 30, 70 or 100 % water holding capacity (WHC) and maintained constant until the end of the experimental period. Herbicide-free soil samples were used as controls. Another experiment was carried out using soil samples maintained at a constant moisture content of 70% WHC, supplemented or otherwise with the herbicide, and submitted to different temperatures of 15, 30 and 40° C. In both experiments, aliquots were removed after various incubation periods for the quantitative analysis of sulfentrazone residues by gas chromatography. Herbicide-degrading microorganisms were isolated and identified. After 120 days a significant effect on herbicide degradation was observed for the factor of temperature, degradation being higher at 30 and 40° C. A half-life of 91.6 days was estimated at 27° C and 70 % WHC. The soil moisture content did not significantly affect sulfentrazone degradation and the microorganisms identified as potential sulfentrazone degraders were Nocardia brasiliensis and Penicillium sp. The present study enhanced the prospects for future studies on the bio-prospecting for microbial populations related to the degradation of sulfentrazone, and may also contribute to the development of strategies for the bioremediation of sulfentrazone-polluted soils. PMID:24031483

Degradation Investigation of Selected Taste and Odor Compounds by a UV/Chlorine Advanced Oxidation Process

PubMed Central

Fang, Jingyun; Liu, Jiajian; Shang, Chii; Fan, Chihhao

2018-01-01

Taste- and odor-causing (T&O) compounds are a major concern in drinking water treatment plants due to their negative impacts on the safety and palatability of water supply. This study explored the degradation kinetics and radical chemistry of four often-detected T&O compounds, geosmin (GSM), 2-methylisoborneol (MIB), benzothiazole (BT), and 2-isobutyl-3-methoxypyrazine (IBMP), in the ultraviolet/chlorine (UV/chlorine) advanced oxidation process. All experiments were carried out in a 700 mL photoreactor and the process effectively degraded the investigated T&O compounds in a slightly acidic environment. The degradation of T&O decreased with increasing pH but slightly with decreasing chlorine dosage. When the pH increased from 6 to 8, the pseudo-first-order rate constants of GSM, MIB, BT, and IBMP dropped from 2.84 × 10−3, 2.29 × 10−3, 3.64 × 10−3, and 2.76 × 10−3 s−1 to 3.77 × 10−4, 2.64 × 10−4, 6.48 × 10−4, and 6.40 × 10−4 s−1, respectively. Increasing the chlorine dosage slightly accelerated the degradation of the investigated T&O compounds, but excessive hypochlorous acid and hypochlorite scavenged the HO• radicals and reactive chlorine species (RCS). Generally, HO• primarily contributed to the degradation of all of the investigated T&O compounds as compared to RCS. The degradation by RCS was found to be structurally selective. RCS could not degrade GSM, but contributed to the degradation of MIB, BT, and IBMP. The results confirmed that the proposed oxidation process effectively degraded typical T&O compounds in aqueous phase. PMID:29414884

Chemistry Notes.

ERIC Educational Resources Information Center

School Science Review, 1981

1981-01-01

Outlines laboratory procedures, demonstrations, teaching suggestions, and content information related to chemistry. Topics include polarizing power; calorimetry and momentum; microcomputers in school chemistry; a constant-volume dispenser for liquids, floating magnets, and crystal lattices; preparation of chromium; and solvent polarity and…

Current State of Knowledge in Microbial Degradation of Polycyclic Aromatic Hydrocarbons (PAHs): A Review

PubMed Central

Ghosal, Debajyoti; Ghosh, Shreya; Dutta, Tapan K.; Ahn, Youngho

2016-01-01

Polycyclic aromatic hydrocarbons (PAHs) include a group of organic priority pollutants of critical environmental and public health concern due to their toxic, genotoxic, mutagenic and/or carcinogenic properties and their ubiquitous occurrence as well as recalcitrance. The increased awareness of their various adverse effects on ecosystem and human health has led to a dramatic increase in research aimed toward removing PAHs from the environment. PAHs may undergo adsorption, volatilization, photolysis, and chemical oxidation, although transformation by microorganisms is the major neutralization process of PAH-contaminated sites in an ecologically accepted manner. Microbial degradation of PAHs depends on various environmental conditions, such as nutrients, number and kind of the microorganisms, nature as well as chemical property of the PAH being degraded. A wide variety of bacterial, fungal and algal species have the potential to degrade/transform PAHs, among which bacteria and fungi mediated degradation has been studied most extensively. In last few decades microbial community analysis, biochemical pathway for PAHs degradation, gene organization, enzyme system, genetic regulation for PAH degradation have been explored in great detail. Although, xenobiotic-degrading microorganisms have incredible potential to restore contaminated environments inexpensively yet effectively, but new advancements are required to make such microbes effective and more powerful in removing those compounds, which were once thought to be recalcitrant. Recent analytical chemistry and genetic engineering tools might help to improve the efficiency of degradation of PAHs by microorganisms, and minimize uncertainties of successful bioremediation. However, appropriate implementation of the potential of naturally occurring microorganisms for field bioremediation could be considerably enhanced by optimizing certain factors such as bioavailability, adsorption and mass transfer of PAHs. The main

Magnetic Resonance-based Motion Correction for Quantitative PET in Simultaneous PET-MR Imaging.

PubMed

Rakvongthai, Yothin; El Fakhri, Georges

2017-07-01

Motion degrades image quality and quantitation of PET images, and is an obstacle to quantitative PET imaging. Simultaneous PET-MR offers a tool that can be used for correcting the motion in PET images by using anatomic information from MR imaging acquired concurrently. Motion correction can be performed by transforming a set of reconstructed PET images into the same frame or by incorporating the transformation into the system model and reconstructing the motion-corrected image. Several phantom and patient studies have validated that MR-based motion correction strategies have great promise for quantitative PET imaging in simultaneous PET-MR. Copyright © 2017 Elsevier Inc. All rights reserved.

Indexing Permafrost Soil Organic Matter Degradation Using High-Resolution Mass Spectrometry

DOE PAGES

Mann, Benjamin F.; Chen, Hongmei; Herndon, Elizabeth M.; ...

2015-06-12

Microbial degradation of soil organic matter (SOM) is a key process for terrestrial carbon cycling, although the molecular details of these transformations remain unclear. This study reports the application of ultrahigh resolution mass spectrometry to profile the molecular composition of SOM and its degradation during a simulated warming experiment. A soil sample, collected near Barrow, Alaska, USA, was subjected to a 40-day incubation under anoxic conditions and analyzed before and after the incubation to determine changes of SOM composition. A CHO index based on molecular C, H, and O data was utilized to codify SOM components according to their observedmore » degradation potentials. Compounds with a CHO index score between –1 and 0 in a water-soluble fraction (WSF) demonstrated high degradation potential, with a highest shift of CHO index occurred in the N-containing group of compounds, while similar stoichiometries in a base-soluble fraction (BSF) did not. Additionally, compared with the classical H:C vs O:C van Krevelen diagram, CHO index allowed for direct visualization of the distribution of heteroatoms such as N in the identified SOM compounds. We demonstrate that CHO index is useful not only in characterizing arctic SOM at the molecular level but also enabling quantitative description of SOM degradation, thereby facilitating incorporation of the high resolution MS datasets to future mechanistic models of SOM degradation and prediction of greenhouse gas emissions.« less

Phytate degrading activities of lactic acid bacteria isolated from traditional fermented food

NASA Astrophysics Data System (ADS)

Damayanti, Ema; Ratisiwi, Febiyani Ndaru; Istiqomah, Lusty; Sembiring, Langkah; Febrisiantosa, Andi

2017-03-01

The objective of this study was to determine the potential of LAB with phytate degrading activity from fermented traditional food grain-based and legume-based. Lactic acid bacteria were isolated from different sources of traditional fermented food from Gunungkidul Yogyakarta Indonesia such as gembus tempeh (tofu waste), soybean tempeh, lamtoro tempeh (Leucaena bean) and kara tempeh. Isolation of LAB was performed using Total Plate Count (TPC) on de Man Rogosa Sharpe Agar (MRSA) medium supplemented with CaCO3. They were screened for their ability to degrade myo-inositol hexaphosphate or IP6 by using qualitative streak platemethod with modified de Man Rogosa-MorpholinoPropanesulfonic Acid Sharpe (MRS-MOPS) medium contained sodium salt of phytic acid as substrate and cobalt chloride staining (plate assay) method. The selected isolates were further assayed for phytase activities using quantitative method with spectrophotometer and the two selected isolates growth were optimized. Furthermore, thhe isolates that shown the highest phytase activity was characterized and identified using API 50 CH kitand 16S rRNA gene sequencing. The results showed that there were 18 LAB isolates obtained from samplesand 13 isolates were able to degrade sodium phytate based on qualitative screening. According to quantitative assay, the highest phytate degrading activities were found in TG-2(23.562 U/mL) and TG-1 (19.641 U/mL) isolated from gembus tempeh. The phytate activity of TG-2 was optimum at 37 °C with agitation, while the phytate activity of TG-1 was optimum at 45 °C without agitation. Characterization and identification of TG-2 isolate with the highest phytate degrading activity using API 50 CH and 16S rRNA showed that TG-2had homology with Lactobacillus fermentum. It could be concluded that LAB from from fermented traditional food grain-based and legume-based produced the extracellular phytase. Keywords: lactic acid bacteria, tempeh, phytatedegrading activity

A potential mechanism for degradation of 4,5-dichloro-2-(n-octyl)-3[2H]-isothiazolone (DCOIT) by brown-rot fungus Gloeophyllum trabeum.

PubMed

Zhu, Yuan; Xue, Jing; Cao, Jinzhen; Xiao, Hongzhan

2017-09-05

This study aims to investigate the biodegradation of 4,5-dichloro-2-(n-octyl)-3[2H]-isothiazolone (DCOIT) by a brown-rot fungus Gloeophyllum trabeum as well as the involved mechanism. In the present study, the retentions of DCOIT in treated Masson pine (Pinus massoniana) (MP) chips were determined periodically after incubation with G. trabeum. Then a Fenton-like reaction, known as the chelator-mediated Fenton (CMF) chemistry was used to degrade DCOIT that mimics the degradation pathway of DCOIT by typical brown-rot fungi, and the degradation intermediates were further analyzed. The results demonstrated that DCOIT was rapidly depleted in the early stages of incubation by G. trabeum. The CMF treatment was shown to oxidatively decompose DCOIT by producing reactive oxygen species. This evidence suggests that the CMF chemistry employed by brown-rot fungi contributes to the rapid depletion of DCOIT during G. trabeum exposure, although this does not rule out other possible mechanisms for the biodegradation of DCOIT. The new findings give new insights into the mechanism for the biodegradation of organic biocides, and potentially provide an efficient approach for the removal of organic pollutants in the contaminated water. Copyright © 2017 Elsevier B.V. All rights reserved.

Ash chemistry and sintering

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

Skrifvars, B.J.; Backman, R.; Hupa, M.

1996-10-01

The chemistry of a fuel ash is important to consider when ash behavior in combustion or gasification is studied. Four different types of thermal behavior based bed agglomeration and deposit foliation mechanisms have been proposed to be important, (1) partial melting, (2) viscous flow, (3) chemical reaction sintering, and (4) solid state sintering. In this paper we present data from a broader study in which we have quantified the four mechanisms more in detail. The ashes from 10 different types of fuels have been tested for their sintering tendency by a compression strength sintering test. The ashes were also subjectmore » to quantitative wet chemical analyses and combined differential thermal, thermogravimetric (DT/TG) analyses. These thermal behavior predictions were compared with multi-component multi-phase thermodynamic phase equilibrium calculations and further with full scale combustion experience. The results and their relevance to full scale conversion systems are discussed in the paper.« less

Processing, phase equilibria and environmental degradation of molybdenum (silicom,aluminum)(2) intermetallic compound

NASA Astrophysics Data System (ADS)

Eason, Paul Duane

The Mo(Si,Al)2 C40 compound was chosen for investigation as a possible high temperature structural material. To produce the C40 phase, several processing routes were explored with emphasis on obtaining microstructure/property relationships (i.e. control of grain size and minimization of secondary phases). To facilitate processing of single phase material, the phase equilibria of the Mo-Si-Al ternary system were reevaluated with respect to the phases adjacent to the C40 compound. An anomalous environmental degradation appeared to be the primary obstacle to further study of the compound and was investigated accordingly. Several processing routes were assessed for the production of dense, nearly single-phase Mo(Si,Al)2. Hot powder compaction was chosen as the method of sample production as is the case with many refractory silicide based materials. Therefore, variations in the processing techniques came from the choice of precursor materials and methods of powder production. Mechanical alloying, arc-melting and comminution, and blending of both elemental and compound powders were all employed to produce charges for hot uniaxial pressing. The final compacts were compared on the basis of density, grain size and presence of secondary phases. Establishment of a Mo-Si-Al ternary isothermal phase diagram at 1400°C was performed. Multiphase alloy compositions were selected to identify the phase boundaries of the C40, C54, T1 and Mo3Al8 phase fields, as well as to verify the existence of the C54 phase at 1400°C. The alloys were equilibrated by heat treatment and analyzed for phase identification and quantitative compositional information. The environmental degradation phenomenon was approached as a classical "pest" with an emphasis of study on grain boundary chemistry and atmospheric dependence of attack. Both Auger spectroscopy and electron microscopy revealed carbon-impurity-induced grain boundary segregation responsible for the embrittlement and material loss. Means of

Art in Chemistry: Chemistry in Art. Second Edition

ERIC Educational Resources Information Center

Greenberg, Barbara R.; Patterson, Dianne

2008-01-01

This textbook integrates chemistry and art with hands-on activities and fascinating demonstrations that enable students to see and understand how the science of chemistry is involved in the creation of art. It investigates such topics as color integrated with electromagnetic radiation, atoms, and ions; paints integrated with classes of matter,…

Characterization and analysis of pasture degradation in Rondonia using remote sensing

NASA Astrophysics Data System (ADS)

Numata, Izaya

2006-04-01

Although pasture degradation has been a regional concern in Amazonian ecosystems, our ability to characterize and monitor pasture degradation under different environmental and human-related conditions is still limited. This dissertation evaluated pasture degradation as it varied due to environmental and human factors across different scales by combining field measures, ancillary data, and remote sensing. To better understand the link between pasture nutrients and soil chemistry, samples were analyzed in the laboratory demonstrating that pasture soil fertility and grass nutrients varied significantly according to soil order. Pastures established on Alfisols, nutrient-rich soils, had higher levels of Phosphorus in soil and grass compared to pastures established on Oxisols and Ultisols. To evaluate remote sensing measures of pasture biophysical properties related to pasture degradation, remote sensing analysis focused on a variety of sensors that provide a range in spatial, spectral and temporal scales, including Landsat Thematic Mapper (TM), a field spectrometer, Hyperion, and the Moderate Resolution Imaging Spectroradiometer (MODIS). Of the measures derived from Landsat, degraded pastures were best characterized by high non-photosynthetic vegetation (NPV) and low shade fractions, while pastures with high biomass were characterized by high green vegetation and low NPV fractions. Absorption features calculated from hyperspectral spectra collected in the field, including water and ligno-cellulose absorption depth and area, provided the best estimates of field grass measures. Temporal MODIS Normalized Difference Vegetation Index (NDVI) data were used to characterize changes in pasture quality across the region and through time. Degraded pastures were characterized by low temporal NDVI variation and occurred in dry or very wet climate conditions and on nutrient poor soils. Productive pastures were characterized by high temporal NDVI variation, were predominantly found

Free fatty acids degradation in grease trap purification using ozone bubbling and sonication

NASA Astrophysics Data System (ADS)

Piotr Kwiatkowski, Michal; Satoh, Saburoh; Fukuda, Shogo; Yamabe, Chobei; Ihara, Satoshi; Nieda, Masanori

2013-02-01

The oil and fat were treated at first by only ozone bubbling and it was confirmed that the collection efficiency of them became 98.4% when the aeration was used. It showed that the aeration method in a grease trap cleared the standard value of 90% and there was no worry on the oil and fat outflow from a grease trap. The characteristics of sonication process were studied for free fatty acids degradation. The free saturated fatty acids are the most hard-degradable compounds of the fats, oils and greases (FOGs) in the grease trap. The influence of various parameters such as immersion level of an ultrasound probe in the liquid and bubbling of various gases (Ar, O2, air, O3) on the sonochemical and energy efficiency of the sonication process was investigated. The most effective degradation treatment method for saturated free fatty acids was the combination of sonication and low flow rate argon bubbling. Contribution to the Topical Issue "13th International Symposium on High Pressure Low Temperature Plasma Chemistry (Hakone XIII)", Edited by Nicolas Gherardi, Henryca Danuta Stryczewska and Yvan Ségui.

Highly stable and degradable multifunctional microgel for self-regulated insulin delivery under physiological conditions

NASA Astrophysics Data System (ADS)

Zhang, Xinjie; Lü, Shaoyu; Gao, Chunmei; Chen, Chen; Zhang, Xuan; Liu, Mingzhu

2013-06-01

The response to glucose, pH and temperature, high drug loading capacity, self-regulated drug delivery and degradation in vivo are simultaneously probable by applying a multifunctional microgel under a rational design in a colloid chemistry method. Such multifunctional microgels are fabricated with N-isopropylacrylamide (NIPAAm), (2-dimethylamino)ethyl methacrylate (DMAEMA) and 3-acrylamidephenylboronic acid (AAPBA) through a precipitation emulsion method and cross-linked by reductive degradable N,N'-bis(arcyloyl)cystamine (BAC). This novel kind of microgel with a narrow size distribution (~250 nm) is suitable for diabetes because it can adapt to the surrounding medium of different glucose concentrations over a clinically relevant range (0-20 mM), control the release of preloaded insulin and is highly stable under physiological conditions (pH 7.4, 0.15 M NaCl, 37 °C). When synthesized multifunctional microgels regulate drug delivery, they gradually degrade as time passes and, as a result, show enhanced biocompatibility. This exhibits a new proof-of-concept for diabetes treatment that takes advantage of the properties of each building block from a multifunctional micro-object. These highly stable and versatile multifunctional microgels have the potential to be used for self-regulated therapy and monitoring of the response to treatment, or even simultaneous diagnosis as nanobiosensors.The response to glucose, pH and temperature, high drug loading capacity, self-regulated drug delivery and degradation in vivo are simultaneously probable by applying a multifunctional microgel under a rational design in a colloid chemistry method. Such multifunctional microgels are fabricated with N-isopropylacrylamide (NIPAAm), (2-dimethylamino)ethyl methacrylate (DMAEMA) and 3-acrylamidephenylboronic acid (AAPBA) through a precipitation emulsion method and cross-linked by reductive degradable N,N'-bis(arcyloyl)cystamine (BAC). This novel kind of microgel with a narrow size

Chemistry, Poetry, and Artistic Illustration: An Interdisciplinary Approach to Teaching and Promoting Chemistry

NASA Astrophysics Data System (ADS)

Furlan, Ping Y.; Kitson, Herbert; Andes, Cynthia

2007-10-01

This article describes a successful interdisciplinary collaboration among chemistry, humanities and English faculty members, who utilized poetry and artistic illustration to help students learn, appreciate, and enjoy chemistry. Students taking general chemistry classes were introduced to poetry writing and museum-type poster preparation during one class period. They were then encouraged to use their imagination and creativity to brainstorm and write chemistry poems or humors on the concepts and principles covered in the chemistry classes and artistically illustrate their original work on posters. The project, 2 3 months in length, was perceived by students as effective at helping them learn chemistry and express their understanding in a fun, personal, and creative way. The instructors found students listened to the directives because many posters were witty, clever, and eye-catching. They showed fresh use of language and revealed a good understanding of chemistry. The top posters were created by a mix of A-, B-, and C-level students. The fine art work, coupled with poetry, helped chemistry come alive on campus, providing an aesthetic presentation of materials that engaged the general viewer.

Pushing for Particulate Level Models of Adiabatic and Isothermal Processes in Upper-Level Chemistry Courses: A Qualitative Study

ERIC Educational Resources Information Center

Hernandez, Gabriel E.; Criswell, Brett A.; Kirk, Nancy J.; Sauder, Deborah G.; Rushton, Gregory T.

2014-01-01

In the past three decades, researchers have noted the limitations of a problem-solving approach that overemphasizes algorithms and quantitation and neglects student misconceptions and an otherwise qualitative, conceptual understanding of chemical phenomena. Since then, studies and lessons designed to improve student understanding of chemistry has…

qHNMR Analysis of Purity of Common Organic Solvents--An Undergraduate Quantitative Analysis Laboratory Experiment

ERIC Educational Resources Information Center

Bell, Peter T.; Whaley, W. Lance; Tochterman, Alyssa D.; Mueller, Karl S.; Schultz, Linda D.

2017-01-01

NMR spectroscopy is currently a premier technique for structural elucidation of organic molecules. Quantitative NMR (qNMR) methodology has developed more slowly but is now widely accepted, especially in the areas of natural product and medicinal chemistry. However, many undergraduate students are not routinely exposed to this important concept.…

Possible atmospheric lifetimes and chemical reaction mechanisms for selected HCFCs, HFCs, CH3CCl3, and their degradation products against dissolution and/or degradation in seawater and cloudwater

NASA Technical Reports Server (NTRS)

Wine, P. H.; Chameides, W. L.

1990-01-01

For a wide variety of atmospheric species including CO2, HNO3, and SO2, dissolution in seawater or cloudwater followed by hydrolysis or chemical reaction represents a primary pathway for removal from the atmosphere. In order to determine if this mechanism can also remove significant amounts of atmospheric chlorofluorocarbons (HCFC's), fluorocarbons (HFC's), and their degradation products, an investigation was undertaken as part of the Alternative Fluorocarbons Environmental Acceptability Study (AFEAS). In this investigation, the rates at which CHCl2CF3 (HCFC-123), CCl2FCH3 (HCFC-141b), CClF2CH3 (HCFC-142b), CHClF2 (HCFC-22), CHClFCF3 (HCFC-124) CH2FCF3 (HFC-134a) CHF2CH3 (HFC-152a), CHF2CF3 (HFC-125), and CH3CCl3 can be dissolved in the oceans and in cloudwater were estimated from the species' thermodynamic and chemical properties using simple mathematical formulations to simulate the transfer of gases from the atmosphere to the ocean or cloudwater. The ability of cloudwater and rainwater to remove gas phase degradation products of these compounds was also considered as was the aqueous phase chemistry of the degradation products. The results of this investigation are described.

Post-16 Physics and Chemistry Uptake: Combining Large-Scale Secondary Analysis with In-Depth Qualitative Methods

ERIC Educational Resources Information Center

Hampden-Thompson, Gillian; Lubben, Fred; Bennett, Judith

2011-01-01

Quantitative secondary analysis of large-scale data can be combined with in-depth qualitative methods. In this paper, we discuss the role of this combined methods approach in examining the uptake of physics and chemistry in post compulsory schooling for students in England. The secondary data analysis of the National Pupil Database (NPD) served…

Quantitative ptychographic reconstruction by applying a probe constraint

NASA Astrophysics Data System (ADS)

Reinhardt, J.; Schroer, C. G.

2018-04-01

The coherent scanning technique X-ray ptychography has become a routine tool for high-resolution imaging and nanoanalysis in various fields of research such as chemistry, biology or materials science. Often the ptychographic reconstruction results are analysed in order to yield absolute quantitative values for the object transmission and illuminating probe function. In this work, we address a common ambiguity encountered in scaling the object transmission and probe intensity via the application of an additional constraint to the reconstruction algorithm. A ptychographic measurement of a model sample containing nanoparticles is used as a test data set against which to benchmark in the reconstruction results depending on the type of constraint used. Achieving quantitative absolute values for the reconstructed object transmission is essential for advanced investigation of samples that are changing over time, e.g., during in-situ experiments or in general when different data sets are compared.

Rapid quantitative chemical mapping of surfaces with sub-2 nm resolution

NASA Astrophysics Data System (ADS)

Lai, Chia-Yun; Perri, Saverio; Santos, Sergio; Garcia, Ricardo; Chiesa, Matteo

2016-05-01

We present a theory that exploits four observables in bimodal atomic force microscopy to produce maps of the Hamaker constant H. The quantitative H maps may be employed by the broader community to directly interpret the high resolution of standard bimodal AFM images as chemical maps while simultaneously quantifying chemistry in the non-contact regime. We further provide a simple methodology to optimize a range of operational parameters for which H is in the closest agreement with the Lifshitz theory in order to (1) simplify data acquisition and (2) generalize the methodology to any set of cantilever-sample systems.We present a theory that exploits four observables in bimodal atomic force microscopy to produce maps of the Hamaker constant H. The quantitative H maps may be employed by the broader community to directly interpret the high resolution of standard bimodal AFM images as chemical maps while simultaneously quantifying chemistry in the non-contact regime. We further provide a simple methodology to optimize a range of operational parameters for which H is in the closest agreement with the Lifshitz theory in order to (1) simplify data acquisition and (2) generalize the methodology to any set of cantilever-sample systems. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00496b

Stratospheric Heterogeneous Chemistry and Microphysics: Model Development, Validation and Applications

NASA Technical Reports Server (NTRS)

Turco, Richard P.

1996-01-01

The objectives of this project are to: define the chemical and physical processes leading to stratospheric ozone change that involve polar stratospheric clouds (PSCS) and the reactions occurring on the surfaces of PSC particles; study the formation processes, and the physical and chemical properties of PSCS, that are relevant to atmospheric chemistry and to the interpretation of field measurements taken during polar stratosphere missions; develop quantitative models describing PSC microphysics and heterogeneous chemical processes; assimilate laboratory and field data into these models; and calculate the extent of chemical processing on PSCs and the impact of specific microphysical processes on polar composition and ozone depletion. During the course of the project, a new coupled microphysics/physical-chemistry/ photochemistry model for stratospheric sulfate aerosols and nitric acid and ice PSCs was developed and applied to analyze data collected during NASA's Arctic Airborne Stratospheric Expedition-II (AASE-II) and other missions. In this model, detailed treatments of multicomponent sulfate aerosol physical chemistry, sulfate aerosol microphysics, polar stratospheric cloud microphysics, PSC ice surface chemistry, as well as homogeneous gas-phase chemistry were included for the first time. In recent studies focusing on AASE measurements, the PSC model was used to analyze specific measurements from an aircraft deployment of an aerosol impactor, FSSP, and NO(y) detector. The calculated results are in excellent agreement with observations for particle volumes as well as NO(y) concentrations, thus confirming the importance of supercooled sulfate/nitrate droplets in PSC formation. The same model has been applied to perform a statistical study of PSC properties in the Northern Hemisphere using several hundred high-latitude air parcel trajectories obtained from Goddard. The rates of ozone depletion along trajectories with different meteorological histories are presently

Degradation of Highly Alloyed Metal Halide Perovskite Precursor Inks: Mechanism and Storage Solutions

DOE PAGES

Dou, Benjia; Wheeler, Lance M.; Christians, Jeffrey A.; ...

2018-03-14

Whereas the promise of metal halide perovskite (MHP) photovoltaics (PV) is that they can combine high efficiency with solution-processability, the chemistry occurring in precursor inks is largely unexplored. Herein, we investigate the degradation of MHP solutions based on the most widely used solvents, dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). For the MHP inks studied, which contain formamidinium (FA+), methylammonium (MA+), cesium (Cs+), lead (Pb2+), bromide (Br-), and iodide (I-), dramatic compositional changes are observed following storage of the inks in nitrogen in the dark. We show that hydrolysis of DMF in the precursor solution forms dimethylammonium formate, which subsequently incorporatesmore » into the MHP film to compromise the ability of Cs+ and MA+ to stabilize FA+-based MHP. The changes in solution chemistry lead to a modification of the perovskite film stoichiometry, band gap, and structure. The solid precursor salts are stable when ball-milled into a powder, allowing for the storage of large quantities of stoichiometric precursor materials.« less

Degradation of Highly Alloyed Metal Halide Perovskite Precursor Inks: Mechanism and Storage Solutions

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

Dou, Benjia; Wheeler, Lance M.; Christians, Jeffrey A.

Whereas the promise of metal halide perovskite (MHP) photovoltaics (PV) is that they can combine high efficiency with solution-processability, the chemistry occurring in precursor inks is largely unexplored. Herein, we investigate the degradation of MHP solutions based on the most widely used solvents, dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). For the MHP inks studied, which contain formamidinium (FA+), methylammonium (MA+), cesium (Cs+), lead (Pb2+), bromide (Br-), and iodide (I-), dramatic compositional changes are observed following storage of the inks in nitrogen in the dark. We show that hydrolysis of DMF in the precursor solution forms dimethylammonium formate, which subsequently incorporatesmore » into the MHP film to compromise the ability of Cs+ and MA+ to stabilize FA+-based MHP. The changes in solution chemistry lead to a modification of the perovskite film stoichiometry, band gap, and structure. The solid precursor salts are stable when ball-milled into a powder, allowing for the storage of large quantities of stoichiometric precursor materials.« less

Novel oxygen atom source for material degradation studies

NASA Technical Reports Server (NTRS)

Krech, R. H.; Caledonia, G. E.

1988-01-01

Physical Sciences Inc. (PSI) has developed a high flux pulsed source of energetic (8 km/s) atomic oxygen to bombard specimens in experiments on the aging and degradation of materials in a low earth orbit environment. The proof-of-concept of the PSI approach was demonstrated in a Phase 1 effort. In Phase 2 a large O-atom testing device (FAST-2) has been developed and characterized. Quantitative erosion testing of materials, components, and even small assemblies (such as solar cell arrays) can be performed with this source to determine which materials and/or components are most vulnerable to atomic oxygen degradation. The source is conservatively rated to irradiate a 100 sq cm area sample at greater than 10(exp 17) atoms/s, at a 10 Hz pulse rate. Samples can be exposed to an atomic oxygen fluence equivalent to the on-orbit ram direction exposure levels incident on Shuttle surfaces at 250 km during a week-long mission in a few hours.

Using the science writing heuristic approach as a tool for assessing and promoting students' conceptual understanding and perceptions in the general chemistry laboratory

NASA Astrophysics Data System (ADS)

Mohammad, Elham Ghazi

This thesis reports on a study that examined the impact of implementing SWH (inquiry-based approach) in a general chemistry lab on non-science-major students' understanding of chemistry concepts and students' perceptions toward writing in science and implementing SWH. This study was conducted in a large university in the Midwest of the United States in a college freshman chemistry laboratory for non-science-major students. The research framework is presented including the following: the qualitative research design with the observation as data collection method for this design and the criteria for teacher level of implementation and the ranking mechanism; and the quantitative research design with data collection and analysis methods including pre- and post-conceptual exams, lecture question, open-ended surveys. This research was based on a quasi-experimental mixed-method design a focus on student performance on higher order conceptual questions, and open-ended survey at the end of semester about their perception toward writing to learn ad implementing SWH. Results from the qualitative and quantitative component indicated that implementing SWH approach has notably enhanced both male and female conceptual understanding and perception toward chemistry and implementing SWH. It is known that there is gender gap in science, where female have lower perception and self confident toward science. Interestingly, my findings have showed that implementing SWH helped closing the gap between male and female who started the semester with a statistically significant lower level of conceptual understanding of chemistry concepts among females than males.

Biosynthetic inorganic chemistry.

PubMed

Lu, Yi

2006-08-25

Inorganic chemistry and biology can benefit greatly from each other. Although synthetic and physical inorganic chemistry have been greatly successful in clarifying the role of metal ions in biological systems, the time may now be right to utilize biological systems to advance coordination chemistry. One such example is the use of small, stable, easy-to-make, and well-characterized proteins as ligands to synthesize novel inorganic compounds. This biosynthetic inorganic chemistry is possible thanks to a number of developments in biology. This review summarizes the progress in the synthesis of close models of complex metalloproteins, followed by a description of recent advances in using the approach for making novel compounds that are unprecedented in either inorganic chemistry or biology. The focus is mainly on synthetic "tricks" learned from biology, as well as novel structures and insights obtained. The advantages and disadvantages of this biosynthetic approach are discussed.

The Fe(III) and Ga(III) coordination chemistry of 3-(1-hydroxymethylidene) and 3-(1-hydroxydecylidene)-5-(2-hydroxyethyl)pyrrolidine-2,4-dione: Novel tetramic acid degradation products of homoserine lactone bacterial quorum sensing molecules

PubMed Central

Romano, Ariel A.; Hahn, Tobias; Davis, Nicole; Lowery, Colin A.; Struss, Anjali K.; Janda, Kim D.; Böttger, Lars H.; Matzanke, Berthold F.; Carrano, Carl J.

2011-01-01

Bacteria use small diffusible molecules to exchange information in a process called quorum sensing (QS). An important class of quorum sensing molecules used by Gram-negative bacteria is the family of N-acylhomoserine lactones (HSL). It was recently discovered that a degradation product of the QS molecule 3-oxo-C12-homoserine lactone, the tetramic acid 3-(1-hydroxydecylidene)-5-(2-hydroxyethyl)pyrrolidine-2,4-dione, is a potent antibacterial agent, thus implying roles for QS outside of simply communication. Because these tetramic acids also appear to bind iron with appreciable affinity it was suggested that metal binding might contribute to their biological activity. Here, using a variety of spectroscopic tools, we describe the coordination chemistry of both the methylidene and decylidene tetramic acid derivatives with Fe(III) and Ga(III) and discuss the potential biological significance of such metal binding. PMID:22178671

Derivative spectrophotometry for the determination of faropenem in the presence of degradation products: an application for kinetic studies.

PubMed

Cielecka-Piontek, Judyta

2013-07-01

A simple and selective derivative spectrophotometric method was developed for the quantitative determination of faropenem in pure form and in pharmaceutical dosage. The method is based on the zero-crossing effect of first-derivative spectrophotometry (λ = 324 nm), which eliminates the overlapping effect caused by the excipients present in the pharmaceutical preparation, as well as degradation products, formed during hydrolysis, oxidation, photolysis, and thermolysis. The method was linear in the concentration range 2.5-300 μg/mL (r = 0.9989) at λ = 341 nm; the limits of detection and quantitation were 0.16 and 0.46 μg/mL, respectively. The method had good precision (relative standard deviation from 0.68 to 2.13%). Recovery of faropenem ranged from 97.9 to 101.3%. The first-order rate constants of the degradation of faropenem in pure form and in pharmaceutical dosage were determined by using first-derivative spectrophotometry. A statistical comparison of the validation results and the observed rate constants for faropenem degradation with these obtained with the high-performance liquid chromatography method demonstrated that both were compatible.

Long Term Degradation of Resin for High Temperature Composites

NASA Technical Reports Server (NTRS)

Patekar, Kaustubh A.

2000-01-01

The durability of polymer matrix composites exposed to harsh environments is a major concern. Surface degradation and damage are observed in polyimide composites used in air at 125 to 300 C. It is believed that diffusion of oxygen into the material and oxidative chemical reactions in the matrix are responsible. Previous work has characterized and modeled diffusion behavior, and thermogravimetric analyses (TGAs) have been carried out in nitrogen, air, and oxygen to provide quantitative information on thermal and oxidative reactions. However, the model developed using these data was not able to capture behavior seen in isothermal tests, especially those of long duration. A test program that focuses on lower temperatures and makes use of isothermal tests was undertaken to achieve a better understanding of the degradation reactions under use conditions. A new low-cost technique was developed to collect chemical degradation data for isothermal tests lasting over 200 hr in the temperature range 125 to 300 C. Results indicate complex behavior not captured by the previous TGA tests, including the presence of weight-adding reactions. Weight gain reactions dominated in the 125 to 225 C temperature range, while weight loss reactions dominated beyond 225 C. The data obtained from isothermal tests was used to develop a new model of the material behavior. This model was able to fully capture the behavior seen in the tests up to 275 C. Correlation of the current model with both isothermal data at 300 C and high rate TGA test data is mediocre. At 300 C and above, the reaction mechanisms appear to change. Attempts (which failed) to measure non-oxidative degradation indicate that oxidative reactions dominate the degradation at low temperatures. Based on this work, long term isothermal testing in an oxidative atmosphere is recommended for studying the degradation behavior of this class of materials.

Catabolism and biotechnological applications of cholesterol degrading bacteria.

PubMed

García, J L; Uhía, I; Galán, B

2012-11-01

Cholesterol is a steroid commonly found in nature with a great relevance in biology, medicine and chemistry, playing an essential role as a structural component of animal cell membranes. The ubiquity of cholesterol in the environment has made it a reference biomarker for environmental pollution analysis and a common carbon source for different microorganisms, some of them being important pathogens such as Mycobacterium tuberculosis. This work revises the accumulated biochemical and genetic knowledge on the bacterial pathways that degrade or transform this molecule, given that the characterization of cholesterol metabolism would contribute not only to understand its role in tuberculosis but also to develop new biotechnological processes that use this and other related molecules as starting or target materials. © 2012 The Authors; Microbial Biotechnology © 2012 Society for Applied Microbiology and Blackwell Publishing Ltd.

Toward quantitative understanding on microbial community structure and functioning: a modeling-centered approach using degradation of marine oil spills as example

PubMed Central

Röling, Wilfred F. M.; van Bodegom, Peter M.

2014-01-01

Molecular ecology approaches are rapidly advancing our insights into the microorganisms involved in the degradation of marine oil spills and their metabolic potentials. Yet, many questions remain open: how do oil-degrading microbial communities assemble in terms of functional diversity, species abundances and organization and what are the drivers? How do the functional properties of microorganisms scale to processes at the ecosystem level? How does mass flow among species, and which factors and species control and regulate fluxes, stability and other ecosystem functions? Can generic rules on oil-degradation be derived, and what drivers underlie these rules? How can we engineer oil-degrading microbial communities such that toxic polycyclic aromatic hydrocarbons are degraded faster? These types of questions apply to the field of microbial ecology in general. We outline how recent advances in single-species systems biology might be extended to help answer these questions. We argue that bottom-up mechanistic modeling allows deciphering the respective roles and interactions among microorganisms. In particular constraint-based, metagenome-derived community-scale flux balance analysis appears suited for this goal as it allows calculating degradation-related fluxes based on physiological constraints and growth strategies, without needing detailed kinetic information. We subsequently discuss what is required to make these approaches successful, and identify a need to better understand microbial physiology in order to advance microbial ecology. We advocate the development of databases containing microbial physiological data. Answering the posed questions is far from trivial. Oil-degrading communities are, however, an attractive setting to start testing systems biology-derived models and hypotheses as they are relatively simple in diversity and key activities, with several key players being isolated and a high availability of experimental data and approaches. PMID:24723922

Toward quantitative understanding on microbial community structure and functioning: a modeling-centered approach using degradation of marine oil spills as example.

PubMed

Röling, Wilfred F M; van Bodegom, Peter M

2014-01-01

Molecular ecology approaches are rapidly advancing our insights into the microorganisms involved in the degradation of marine oil spills and their metabolic potentials. Yet, many questions remain open: how do oil-degrading microbial communities assemble in terms of functional diversity, species abundances and organization and what are the drivers? How do the functional properties of microorganisms scale to processes at the ecosystem level? How does mass flow among species, and which factors and species control and regulate fluxes, stability and other ecosystem functions? Can generic rules on oil-degradation be derived, and what drivers underlie these rules? How can we engineer oil-degrading microbial communities such that toxic polycyclic aromatic hydrocarbons are degraded faster? These types of questions apply to the field of microbial ecology in general. We outline how recent advances in single-species systems biology might be extended to help answer these questions. We argue that bottom-up mechanistic modeling allows deciphering the respective roles and interactions among microorganisms. In particular constraint-based, metagenome-derived community-scale flux balance analysis appears suited for this goal as it allows calculating degradation-related fluxes based on physiological constraints and growth strategies, without needing detailed kinetic information. We subsequently discuss what is required to make these approaches successful, and identify a need to better understand microbial physiology in order to advance microbial ecology. We advocate the development of databases containing microbial physiological data. Answering the posed questions is far from trivial. Oil-degrading communities are, however, an attractive setting to start testing systems biology-derived models and hypotheses as they are relatively simple in diversity and key activities, with several key players being isolated and a high availability of experimental data and approaches.

The Influence of Collaborative Learning on Student Attitudes and Performance in an Introductory Chemistry Laboratory

NASA Astrophysics Data System (ADS)

Shibley, Ivan A., Jr.; Zimmaro, Dawn M.

2002-06-01

This study was designed to determine the effect of collaborative learning on student attitudes and performance in an introductory chemistry laboratory. Two sections per semester for three semesters were randomly designated as either a control section or an experimental section. Students in the control section performed most labs individually, while those in the experimental section performed all labs in groups of four. Both quantitative and qualitative measures were used to evaluate the impact of collaborative learning on student achievement and attitudes. Grades did not differ between the two sections, indicating that collaborative learning did not affect short-term student achievement. Students seemed to develop a more positive attitude about the laboratory and about chemistry in the collaborative learning sections as judged from their classroom evaluations of the teacher, the course, and the collaborative learning experience. The use of collaborative learning in the laboratory as described in this paper therefore may provide a means of improving student attitudes toward chemistry.

Non-OH chemistry in oxidation flow reactors for the study of atmospheric chemistry systematically examined by modeling

NASA Astrophysics Data System (ADS)

Peng, Z.; Day, D. A.; Ortega, A. M.; Palm, B. B.; Hu, W. W.; Stark, H.; Li, R.; Tsigaridis, K.; Brune, W. H.; Jimenez, J. L.

2015-09-01

Oxidation flow reactors (OFRs) using low-pressure Hg lamp emission at 185 and 254 nm produce OH radicals efficiently and are widely used in atmospheric chemistry and other fields. However, knowledge of detailed OFR chemistry is limited, allowing speculation in the literature about whether some non-OH reactants, including several not relevant for tropospheric chemistry, may play an important role in these OFRs. These non-OH reactants are UV radiation, O(1D), O(3P), and O3. In this study, we investigate the relative importance of other reactants to OH for the fate of reactant species in OFR under a wide range of conditions via box modeling. The relative importance of non-OH species is less sensitive to UV light intensity than to relative humidity (RH) and external OH reactivity (OHRext), as both non-OH reactants and OH scale roughly proportional to UV intensity. We show that for field studies in forested regions and also the urban area of Los Angeles, reactants of atmospheric interest are predominantly consumed by OH. We find that O(1D), O(3P), and O3 have relative contributions to VOC consumption that are similar or lower than in the troposphere. The impact of O atoms can be neglected under most conditions in both OFR and troposphere. Under "pathological OFR conditions" of low RH and/or high OHRext, the importance of non-OH reactants is enhanced because OH is suppressed. Some biogenics can have substantial destructions by O3, and photolysis at non-tropospheric wavelengths (185 and 254 nm) may also play a significant role in the degradation of some aromatics under pathological conditions. Working under low O2 with the OFR185 mode allows OH to completely dominate over O3 reactions even for the biogenic species most reactive with O3. Non-tropospheric VOC photolysis may have been a problem in some laboratory and source studies, but can be avoided or lessened in future studies by diluting source emissions and working at lower precursor concentrations in lab studies, and

Non-OH Chemistry in Oxidation Flow Reactors for the Study of Atmospheric Chemistry Systematically Examined by Modeling

NASA Technical Reports Server (NTRS)

Peng, Zhe; Day, Douglas A.; Ortega, Amber M.; Palm, Brett B.; Hu, Weiwei; Stark, Harald; Li, Rui; Tsigaridis, Kostas; Brune, William H.; Jimenez, Jose L.

2016-01-01

Oxidation flow reactors (OFRs) using low-pressure Hg lamp emission at 185 and 254 nm produce OH radicals efficiently and are widely used in atmospheric chemistry and other fields. However, knowledge of detailed OFR chemistry is limited, allowing speculation in the literature about whether some non-OH reactants, including several not relevant for tropospheric chemistry, may play an important role in these OFRs. These non-OH reactants are UV radiation, O(1D), O(3P), and O3. In this study, we investigate the relative importance of other reactants to OH for the fate of reactant species in OFR under a wide range of conditions via box modeling. The relative importance of non-OH species is less sensitive to UV light intensity than to relative humidity (RH) and external OH reactivity (OHRext), as both non-OH reactants and OH scale roughly proportional to UV intensity. We show that for field studies in forested regions and also the urban area of Los Angeles, reactants of atmospheric interest are predominantly consumed by OH. We find that O(1D), O(3P), and O3 have relative contributions to VOC consumption that are similar or lower than in the troposphere. The impact of O atoms can be neglected under most conditions in both OFR and troposphere. Under pathological OFR conditions of low RH and/or high OHRext, the importance of non-OH reactants is enhanced because OH is suppressed. Some biogenics can have substantial destructions by O3, and photolysis at non-tropospheric wavelengths (185 and 254 nm) may also play a significant role in the degradation of some aromatics under pathological conditions. Working under low O2 with the OFR185 mode allows OH to completely dominate over O3 reactions even for the biogenic species most reactive with O3. Non-tropospheric VOC photolysis may have been a problem in some laboratory and source studies, but can be avoided or lessened in future studies by diluting source emissions and working at lower precursor concentrations in lab studies, and by

Gas-liquid chromatography for evaluating polysaccharide degradation by Ruminococcus flavefaciens C94 and Bacteroides succinogenes S85.

PubMed

Collings, G F; Yokoyama, M T

1980-03-01

Two predominant rumen cellulolytic bacteria, Ruminococcus flavefaciens C94 and Bacteroides succinogenes S85, were incubated with ground filter paper (Whatman no. 1), cattle manure fiber, wheat straw, Kentucky bluegrass, alfalfa, and corn silage as substrates. Analyses of the initial substrate and the recovered residue after 48 h of static incubation showed that R. flavefaciens C94 was quantitatively more effective than B. succinogenes S85 in degrading total dry matter (32.3% versus 16.1%). However, B. succinogenes S85 demonstrated a qualitative advantage in degrading the hemicellulose and hemicellulosic sugars of particular substrates. R. flavefaciens degraded a mean 29.7% of the cellulose and 35.6% of the hemicellulose in the various substrates, whereas B. succinogenes degraded a mean 17.9 and 31.6% of these fractions, respectively. Gas-liquid chromatography was an important aid in characterizing the polysaccharide-degrading capabilities of these rumen species.

Degrading and non-degrading sex in popular music: a content analysis.

PubMed

Primack, Brian A; Gold, Melanie A; Schwarz, Eleanor B; Dalton, Madeline A

2008-01-01

Those exposed to more degrading sexual references in popular music are more likely to initiate intercourse at a younger age. The purpose of this study was to perform a content analysis of contemporary popular music with particular attention paid to the prevalence of degrading and non-degrading sexual references. We also aimed to determine if sexual references of each subtype were associated with other song characteristics and/or content. We used Billboard magazine to identify the top popular songs in 2005. Two independent coders each analyzed all of these songs (n = 279) for degrading and non-degrading sexual references. As measured with Cohen's kappa scores, inter-rater agreement on degrading vs. non-degrading sex was substantial. Mentions of substance use, violence, and weapon carrying were also coded. Of the 279 songs identified, 103 (36.9%) contained references to sexual activity. Songs with references to degrading sex were more common than songs with references to non-degrading sex (67 [65.0%] vs. 36 [35.0%], p < 0.001). Songs with degrading sex were most commonly Rap (64.2%), whereas songs with non-degrading sex were most likely Country (44.5%) or Rhythm & Blues/Hip-Hop (27.8%). Compared with songs that had no mention of sexual activity, songs with degrading sex were more likely to contain references to substance use, violence, and weapon carrying. Songs with non-degrading sex were no more likely to mention these other risk behaviors. References to sexual activity are common in popular music, and degrading sexual references are more prevalent than non-degrading references. References to degrading sex also frequently appear with references to other risky behaviors.

Small lunar craters at the Apollo 16 and 17 landing sites - morphology and degradation

NASA Astrophysics Data System (ADS)

Mahanti, P.; Robinson, M. S.; Thompson, T. J.; Henriksen, M. R.

2018-01-01

New analysis and modeling approaches are applied to high-resolution images and topography of the Apollo 16 and 17 landing sites to investigate the morphology and estimate degradation of small lunar craters (SLCs; 35 to 250 m diameter). We find SLCs at the two sites are mostly degraded with an average depth-diameter ratio (d/D) < 0.1 , resulting in a landscape dominated by shallow, inverted cone-shaped craters. An improved standardized morphological classification and a novel set of quantitative shape indicators are defined and used to compare SLCs between the two sites. Our classification methodology allows morphological class populations to be designated with minimal (and measurable) ambiguity simplifying the study of SLC degradation at different target regions. SLC shape indicators are computationally obtained from topography, further facilitating a quantitative and repeatable comparison across study areas. Our results indicate that the interior slopes of SLCs evolve faster and through different processes relative to larger craters ( > 500 m). Assuming SLCs are formed with large initial depth-to-diameter ratio (d/D ≥ 0.2), our observation that even the fresher SLCs are relatively shallow imply that a faster mass wasting process post-formation stabilizes the crater walls and eventually slows down degradation. We also found that the Apollo 16 Cayley plains have a higher percentage of fresh craters than the Apollo 17 Taurus Littrow (TL) plains. A combination of a less-cohesive target material and/or seismic shaking resulting from moonquakes or the impact of Tycho crater secondaries was likely responsible for a higher degradation rate in the TL-plains compared to the Cayley plains. This study explores the relationship between the symmetry and probability densities of key morphological traits like d/D, mean wall slope and rate of degradation. We show that the shape of d/D probability density function of SLCs in a study area encodes their rate of degradation

Monitoring of degradation of porous silicon photonic crystals using digital photography

PubMed Central

2014-01-01

We report the monitoring of porous silicon (pSi) degradation in aqueous solutions using a consumer-grade digital camera. To facilitate optical monitoring, the pSi samples were prepared as one-dimensional photonic crystals (rugate filters) by electrochemical etching of highly doped p-type Si wafers using a periodic etch waveform. Two pSi formulations, representing chemistries relevant for self-reporting drug delivery applications, were tested: freshly etched pSi (fpSi) and fpSi coated with the biodegradable polymer chitosan (pSi-ch). Accelerated degradation of the samples in an ethanol-containing pH 10 aqueous basic buffer was monitored in situ by digital imaging with a consumer-grade digital camera with simultaneous optical reflectance spectrophotometric point measurements. As the nanostructured porous silicon matrix dissolved, a hypsochromic shift in the wavelength of the rugate reflectance peak resulted in visible color changes from red to green. While the H coordinate in the hue, saturation, and value (HSV) color space calculated using the as-acquired photographs was a good monitor of degradation at short times (t < 100 min), it was not a useful monitor of sample degradation at longer times since it was influenced by reflections of the broad spectral output of the lamp as well as from the narrow rugate reflectance band. A monotonic relationship was observed between the wavelength of the rugate reflectance peak and an H parameter value calculated from the average red-green-blue (RGB) values of each image by first independently normalizing each channel (R, G, and B) using their maximum and minimum value over the time course of the degradation process. Spectrophotometric measurements and digital image analysis using this H parameter gave consistent relative stabilities of the samples as fpSi > pSi-ch. PMID:25242902

Infusing the Chemistry Curriculum with Green Chemistry Using Real-World Examples, Web Modules, and Atom Economy in Organic Chemistry Courses

ERIC Educational Resources Information Center

Cann, Michael C.; Dickneider, Trudy A.

2004-01-01

Green chemistry is the awareness of the damaging environmental effects due to chemical research and inventions. There is emphasis on a need to include green chemistry in synthesis with atom economy in organic chemistry curriculum to ensure an environmentally conscious future generation of chemists, policy makers, health professionals and business…

Effectiveness of a Short, Intense Bridging Course for Scaffolding Students Commencing University-level Study of Chemistry

NASA Astrophysics Data System (ADS)

Schmid, Siegbert; Youl, David J.; George, Adrian V.; Read, Justin R.

2012-05-01

Bridging courses designed to support students commencing tertiary education are widespread, and some evidence for the value of semester-length courses has been reported; however, little attention has been paid to short-but-intense bridging courses, and empirical evidence of their effectiveness is particularly sparse. The current study followed the academic performance of a cohort of students enrolled in a first-year chemistry unit of study designed for those with little or no background knowledge of chemistry. The aims of this study are two-fold: first to determine the strength of the linkage between prior knowledge in chemistry and performance on the end of semester exam, and secondly, to explore the reasons for any differences observed. In particular, the value of the week-long intensive-mode bridging course offered by the University of Sydney was analysed. Quantitative and qualitative data were collected. The research has shown that participation in the chemistry bridging course is associated with 'bridging the gap' in academic performance between students with No Prior Chemistry background and those with a Strong Background. While the content of the bridging course is a significant contributor to academic success, so too is the confidence in their own learning that the course engenders among participants.

Kraft lignin chain extension chemistry via propargylation, oxidative coupling, and Claisen rearrangement.

PubMed

Sen, Sanghamitra; Sadeghifar, Hasan; Argyropoulos, Dimitris S

2013-10-14

Despite its aromatic and polymeric nature, the heterogeneous, stochastic, and reactive characteristics of softwood kraft lignin seriously limit its potential for thermoplastic applications. Our continuing efforts toward creating thermoplastic lignin polymers are now focused at exploring propargylation derivatization chemistry and its potential as a versatile novel route for the eventual utilization of technical lignins with a significant amount of molecular control. To do this, we initially report the systematic propargylation of softwood kraft lignin. The synthesized derivatives were extensively characterized with thermal methods (DSC, TGA), (1)H, (13)C, and quantitative (31)P NMR and IR spectroscopies. Further on, we explore the versatile nature of the lignin pendant propargyl groups by demonstrating two distinct chain extension chemistries; the solution-based, copper-mediated, oxidative coupling and the thermally induced, solid-state, Claissen rearrangement polymerization chemistries. Overall, we show that it is possible to modulate the reactivity of softwood kraft lignin via a combination of methylation and chain extension providing a rational means for the creation of higher molecular weight polymers with the potential for thermoplastic materials and carbon fibers with the desired control of structure-property relations.

Qualitative and Quantitative Evaluation of Three Types of Student-Generated Videos as Instructional Support in Organic Chemistry Laboratories

ERIC Educational Resources Information Center

Box, Melinda C.; Dunnagan, Cathi L.; Hirsh, Lauren A. S.; Cherry, Clinton R.; Christianson, Kayla A.; Gibson, Radiance J.; Wolfe, Michael I.; Gallardo-Williams, Maria T.

2017-01-01

This study was designed to evaluate the effectiveness of student-generated videos as a supplement to teaching assistant (TA) instruction in an undergraduate organic chemistry laboratory. Three videos covering different aspects of lab instruction (experimental technique, use of instrumentation, and calculations) were produced using…

Characterization of a Polycyclic Aromatic Hydrocarbon Degradation Gene Cluster in a Phenanthrene-Degrading Acidovorax Strain▿

PubMed Central

Singleton, David R.; Guzmán Ramirez, Liza; Aitken, Michael D.

2009-01-01

Acidovorax sp. strain NA3 was isolated from polycyclic aromatic hydrocarbon (PAH)-contaminated soil that had been treated in a bioreactor and enriched with phenanthrene. The 16S rRNA gene of the isolate possessed 99.8 to 99.9% similarity to the dominant sequences recovered during a previous stable-isotope probing experiment with [U-13C]phenanthrene on the same soil (D. R. Singleton, S. N. Powell, R. Sangaiah, A. Gold, L. M. Ball, and M. D. Aitken, Appl. Environ. Microbiol. 71:1202-1209, 2005). The strain grew on phenanthrene as a sole carbon and energy source and could mineralize 14C from a number of partially labeled PAHs, including naphthalene, phenanthrene, chrysene, benz[a]anthracene, and benzo[a]pyrene, but not pyrene or fluoranthene. Southern hybridizations of a genomic fosmid library with a fragment of the large subunit of the ring-hydroxylating dioxygenase gene from a naphthalene-degrading Pseudomonas strain detected the presence of PAH degradation genes subsequently determined to be highly similar in both nucleotide sequence and gene organization to an uncharacterized Alcaligenes faecalis gene cluster. The genes were localized to the chromosome of strain NA3. To test for gene induction by selected compounds, RNA was extracted from amended cultures and reverse transcribed, and cDNA associated with the enzymes involved in the first three steps of phenanthrene degradation was quantified by quantitative real-time PCR. Expression of each of the genes was induced most strongly by phenanthene and to a lesser extent by naphthalene, but other tested PAHs and PAH metabolites had negligible effects on gene transcript levels. PMID:19270134

A Study of Functional Polymer Colloids Prepared Using Thiol-Ene/Yne Click Chemistry

NASA Astrophysics Data System (ADS)

Durham, Olivia Z.

-ene chemistry was also employed toward the synthesis of degradable polyanhydride polymer particles. Unlike the aforementioned studies, the approach to particle synthesis was conducted by using a premade thiol-ene polymer. Various linear thiol-ene polyanhydrides were emulsified in water or buffered solutions via sonication. Polymer latex was obtained upon solvent evaporation of the dichloromethane (DCM) solvent used to solubilize the polymer. In this work, variation of polymer composition as well as degradation was examined. Additional experiments included a study of the release of Rhodamine B dye, functionalization of the linear polymers, and studies involving the delay of degradation through the incorporation of crosslinking in the polymer particles. The projects presented herein provide an innovative approach to the synthesis of polymer colloids using thiol-ene and thiol-yne 'click' chemistry in both heterogeneous polymerizations as well as through solvent evaporation of premade polymer solutions. Polymer colloids prove to be an area of great interest for numerous applications that encompass various areas involving biomedical and industrial technologies including paints and coatings, cosmetics, diagnostics, and drug delivery. Improvements in methods of chemical synthesis as well as advances in the tailoring of material properties are of utmost importance for the ever increasing demands of new technologies and educational enlightenment.

Quantitative and qualitative differences in the metabolism of pesticides in biobed substrates and soil.

PubMed

Karanasios, Evangelos C; Tsiropoulos, Nikolaos G; Karpouzas, Dimitrios G

2013-09-01

Biobed substrates commonly exhibit high degradation capacity. However, degradation does not always lead to detoxification and information on the metabolic pathways of pesticides in biobeds is scarce. We studied the degradation and metabolism of three pesticides in selected biomixtures and soil. Biomixtures stimulated degradation of terbuthylazine and metribuzin, whereas chlorpyrifos degraded faster in soil. The latter was attributed to the lipophilicity of chlorpyrifos which increased adsorption and limited biodegradation in organic-rich biomixtures. Although the same metabolites were detected in all substrates, qualitative and quantitative differences in the metabolic routes of pesticides in the various substrates were observed. Chlorpyrifos was hydrolyzed to 3,5,6-tricholorpyridinol (TCP) which was further degraded only in compost-biomixture CBX1. Metabolism of terbuthylazine in compost biomixtures (BX) and soil resulted in the formation of desethyl-terbuthylazine (DES) which was fully degraded only in the compost-biomixture CBX2, whereas peat-based biomixture (OBX) promoted the hydroxylation of terbuthylazine. Desamino- (DA) (dominant) and diketo- (DK) metribuzin appear as intermediate metabolites in all substrates and were further transformed to desamino-diketo-metribuzin (DADK) which was fully degraded only in compost-biomixture GSBX. Overall, lower amounts of metabolites were accumulated in biomixtures compared to soil stressing the higher depuration efficiency of biobeds. Copyright © 2013 Elsevier Ltd. All rights reserved.

International year of Chemistry 2011. A guide to the history of clinical chemistry.

PubMed

Kricka, Larry J; Savory, John

2011-08-01

This review was written as part of the celebration of the International Year of Chemistry 2011. In this review we provide a chronicle of the history of clinical chemistry, with a focus on North America. We outline major methodological advances and trace the development of professional societies and journals dedicated to clinical chemistry. This review also serves as a guide to reference materials for those interested in the history of clinical chemistry. The various resources available, in sound recordings, videos, moving images, image and document archives, museums, and websites dedicated to diagnostic company timelines, are surveyed. These resources provide a map of how the medical subspecialty of clinical chemistry arrived at its present state. This information will undoubtedly help visionaries to determine in which direction clinical chemistry will move in the future.

Why Teach Environmental Chemistry?

ERIC Educational Resources Information Center

Gardner, Marjorie H.

1974-01-01

Discusses the importance of teaching environmental chemistry in secondary school science classes, and outlines five examples of environmental chemistry problems that focus on major concepts of chemistry and have critical implications for human survival and well-being. (JR)

Harnessing photochemical internalization with dual degradable nanoparticles for combinatorial photo-chemotherapy

NASA Astrophysics Data System (ADS)

Pasparakis, George; Manouras, Theodore; Vamvakaki, Maria; Argitis, Panagiotis

2014-04-01

Light-controlled drug delivery systems constitute an appealing means to direct and confine drug release spatiotemporally at the site of interest with high specificity. However, the utilization of light-activatable systems is hampered by the lack of suitable drug carriers that respond sharply to visible light stimuli at clinically relevant wavelengths. Here, a new class of self-assembling, photo- and pH-degradable polymers of the polyacetal family is reported, which is combined with photochemical internalization to control the intracellular trafficking and release of anticancer compounds. The polymers are synthesized by simple and scalable chemistries and exhibit remarkably low photolysis rates at tunable wavelengths over a large range of the spectrum up to the visible and near infrared regime. The combinational pH and light mediated degradation facilitates increased therapeutic potency and specificity against model cancer cell lines in vitro. Increased cell death is achieved by the synergistic activity of nanoparticle-loaded anticancer compounds and reactive oxygen species accumulation in the cytosol by simultaneous activation of porphyrin molecules and particle photolysis.

Chemiluminescence microarrays in analytical chemistry: a critical review.

PubMed

Seidel, Michael; Niessner, Reinhard

2014-09-01

Multi-analyte immunoassays on microarrays and on multiplex DNA microarrays have been described for quantitative analysis of small organic molecules (e.g., antibiotics, drugs of abuse, small molecule toxins), proteins (e.g., antibodies or protein toxins), and microorganisms, viruses, and eukaryotic cells. In analytical chemistry, multi-analyte detection by use of analytical microarrays has become an innovative research topic because of the possibility of generating several sets of quantitative data for different analyte classes in a short time. Chemiluminescence (CL) microarrays are powerful tools for rapid multiplex analysis of complex matrices. A wide range of applications for CL microarrays is described in the literature dealing with analytical microarrays. The motivation for this review is to summarize the current state of CL-based analytical microarrays. Combining analysis of different compound classes on CL microarrays reduces analysis time, cost of reagents, and use of laboratory space. Applications are discussed, with examples from food safety, water safety, environmental monitoring, diagnostics, forensics, toxicology, and biosecurity. The potential and limitations of research on multiplex analysis by use of CL microarrays are discussed in this review.

Introducing Chemistry Students to the "Real World" of Chemistry

ERIC Educational Resources Information Center

Brown, Michael E.; Cosser, Ronald C.; Davies-Coleman, Michael T.; Kaye, Perry T.; Klein, Rosalyn; Lamprecht, Emmanuel; Lobb, Kevin; Nyokong, Tebello; Sewry, Joyce D.; Tshentu, Zenixole R.; van der Zeyde, Tino; Watkins, Gareth M.

2010-01-01

A majority of chemistry graduates seek employment in a rapidly changing chemical industry. Our attempts to provide the graduates with skills in entrepreneurship and the ability to understand and communicate with their chemical engineering colleagues, in addition to their fundamental knowledge of chemistry, are described. This is done at…

Elaboration of copper-oxygen mediated C-H activation chemistry in consideration of future fuel and feedstock generation.

PubMed

Lee, Jung Yoon; Karlin, Kenneth D

2015-04-01

To contribute solutions to current energy concerns, improvements in the efficiency of dioxygen mediated C-H bond cleavage chemistry, for example, selective oxidation of methane to methanol, could minimize losses in natural gas usage or produce feedstocks for fuels. Oxidative C-H activation is also a component of polysaccharide degradation, potentially affording alternative biofuels from abundant biomass. Thus, an understanding of active-site chemistry in copper monooxygenases, those activating strong C-H bonds is briefly reviewed. Then, recent advances in the synthesis-generation and study of various copper-oxygen intermediates are highlighted. Of special interest are cupric-superoxide, Cu-hydroperoxo and Cu-oxy complexes. Such investigations can contribute to an enhanced future application of C-H oxidation or oxygenation processes using air, as concerning societal energy goals. Copyright © 2015 Elsevier Ltd. All rights reserved.

Logic, History, and the Chemistry Textbook: I. Does Chemistry Have a Logical Structure?

ERIC Educational Resources Information Center

Jensen, William B.

1998-01-01

Presents the first of three invited keynote lectures from the 1995 conference of the New England Association of Chemistry Teachers. Discusses the relevance of the history of chemistry to the teaching of chemistry. Contains 27 references. (DDR)

A Study on Advanced Lithium-Based Battery Cell Chemistries to Enhance Lunar Exploration Missions

NASA Technical Reports Server (NTRS)

Reid, Concha M.; Bennett, William R.

2010-01-01

NASAs Exploration Technology Development Program (ETDP) Energy Storage Project conducted an advanced lithium-based battery chemistry feasibility study to determine the best advanced chemistry to develop for the Altair Lunar Lander and the Extravehicular Activities (EVA) advanced Lunar surface spacesuit. These customers require safe, reliable batteries with extremely high specific energy as compared to state-of-the-art. The specific energy goals for the development project are 220 watt-hours per kilogram (Wh/kg) delivered at the battery-level at 0 degrees Celsius ( C) at a C/10 discharge rate. Continuous discharge rates between C/5 and C/2, operation between 0 and 30 C and 200 cycles are targeted. Electrode materials that were considered include layered metal oxides, spinel oxides, and olivine-type cathode materials, and lithium metal, lithium alloy, and silicon-based composite anode materials. Advanced cell chemistry options were evaluated with respect to multiple quantitative and qualitative attributes while considering their projected performance at the end of the available development timeframe. Following a rigorous ranking process, a chemistry that combines a lithiated nickel manganese cobalt oxide Li(LiNMC)O2 cathode with a silicon-based composite anode was selected as the technology that can potentially offer the best combination of safety, specific energy, energy density, and likelihood of success.

Kinetics analysis and quantitative calculations for the successive radioactive decay process

NASA Astrophysics Data System (ADS)

Zhou, Zhiping; Yan, Deyue; Zhao, Yuliang; Chai, Zhifang

2015-01-01

The general radioactive decay kinetics equations with branching were developed and the analytical solutions were derived by Laplace transform method. The time dependence of all the nuclide concentrations can be easily obtained by applying the equations to any known radioactive decay series. Taking the example of thorium radioactive decay series, the concentration evolution over time of various nuclide members in the family has been given by the quantitative numerical calculations with a computer. The method can be applied to the quantitative prediction and analysis for the daughter nuclides in the successive decay with branching of the complicated radioactive processes, such as the natural radioactive decay series, nuclear reactor, nuclear waste disposal, nuclear spallation, synthesis and identification of superheavy nuclides, radioactive ion beam physics and chemistry, etc.

Development of tailored indigenous marine consortia for the degradation of naturally weathered polyethylene films

PubMed Central

Syranidou, Evdokia; Karkanorachaki, Katerina; Amorotti, Filippo; Repouskou, Eftychia; Kroll, Kevin; Kolvenbach, Boris; Corvini, Philippe F-X; Fava, Fabio

2017-01-01

This study investigated the potential of bacterial-mediated polyethylene (PE) degradation in a two-phase microcosm experiment. During phase I, naturally weathered PE films were incubated for 6 months with the indigenous marine community alone as well as bioaugmented with strains able to grow in minimal medium with linear low-density polyethylene (LLDPE) as the sole carbon source. At the end of phase I the developed biofilm was harvested and re-inoculated with naturally weathered PE films. Bacteria from both treatments were able to establish an active population on the PE surfaces as the biofilm community developed in a time dependent way. Moreover, a convergence in the composition of these communities was observed towards an efficient PE degrading microbial network, comprising of indigenous species. In acclimated communities, genera affiliated with synthetic (PE) and natural (cellulose) polymer degraders as well as hydrocarbon degrading bacteria were enriched. The acclimated consortia (indigenous and bioaugmented) reduced more efficiently the weight of PE films in comparison to non-acclimated bacteria. The SEM images revealed a dense and compact biofilm layer and signs of bio-erosion on the surface of the films. Rheological results suggest that the polymers after microbial treatment had wider molecular mass distribution and a marginally smaller average molar mass suggesting biodegradation as opposed to abiotic degradation. Modifications on the surface chemistry were observed throughout phase II while the FTIR profiles of microbially treated films at month 6 were similar to the profiles of virgin PE. Taking into account the results, we can suggest that the tailored indigenous marine community represents an efficient consortium for degrading weathered PE plastics. PMID:28841722

From crystal chemistry to colloid stability

NASA Astrophysics Data System (ADS)

Gilbert, B.; Burrows, N.; Penn, R. L.

2008-12-01

Aqueous suspensions of ferrihydrite nanoparticles form a colloid with properties that can be understood using classical theories but which additionally exhibit the distinctive phenomenon of nanocluster formation. While use of in situ light and x-ray scattering methods permit the quantitative determination of colloid stability, interparticle interactions, and cluster or aggregate geometry, there are currently few approaches to predict the colloidal behavior of mineral nanoparticles. A longstanding goal of aqueous geochemistry is the rationalization and prediction of the chemical properties of hydrated mineral interfaces from knowledge of interface structure at the molecular scale. Because interfacial acid-base reactions typically lead to the formation of a net electrostatic charge at the surfaces of oxide, hydroxide, and oxyhydroxide mineral surfaces, quantitative descriptions of this behavior have the potential to permit the prediction of long-range interactions between mineral particles. We will evaluate the feasibility of this effort by constructing a model for surface charge formation for ferrihydrite that combines recent insights into the crystal structure of this phase and proposed methods for estimating the pKa of acidic surface groups. We will test the ability of this model to predict the colloidal stability of ferrihydrite suspensions as a function of solution chemistry.

Impact of the Flipped Classroom on Student Performance and Retention: A Parallel Controlled Study in General Chemistry

ERIC Educational Resources Information Center

Ryan, Michael D.; Reid, Scott A.

2016-01-01

Despite much recent interest in the flipped classroom, quantitative studies are slowly emerging, particularly in the sciences. We report a year-long parallel controlled study of the flipped classroom in a second-term general chemistry course. The flipped course was piloted in the off-semester course in Fall 2014, and the availability of the…

A Quantum Chemistry Concept Inventory for Physical Chemistry Classes

ERIC Educational Resources Information Center

Dick-Perez, Marilu; Luxford, Cynthia J.; Windus, Theresa L.; Holme, Thomas

2016-01-01

A 14-item, multiple-choice diagnostic assessment tool, the quantum chemistry concept inventory or QCCI, is presented. Items were developed based on published student misconceptions and content coverage and then piloted and used in advanced physical chemistry undergraduate courses. In addition to the instrument itself, data from both a pretest,…

Benthic metabolic feedbacks to carbonate chemistry on coral reefs:implications for ocean acidification

NASA Astrophysics Data System (ADS)

Price, N.; Rohwer, F. L.; Stuart, S. A.; Andersson, A.; Smith, J.

2012-12-01

The metabolic activity of resident organisms can cause spatio-temporal variability in carbonate chemistry within the benthic boundary layer, and thus potentially buffer the global impacts of ocean acidification. But, little is known about the capacity for particular species assemblages to contribute to natural daily variability in carbonate chemistry. We encapsulated replicate areas (~3m2) of reef across six Northern Line Islands in the central Pacific for 24 hrs to quantify feedbacks to carbonate chemistry within the benthic boundary layer from community metabolism. Underneath each 'tent', we quantified relative abundance and biomass of each species of corals and algae. We coupled high temporal resolution time series data on the natural diurnal variability in pH, dissolved oxygen, salinity, and temperature (using autonomous sensors) with resident organisms' net community calcification and productivity rates (using change in total dissolved carbon and total alkalinity over time) to examine feedbacks from reef metabolism to boundary layer carbonate chemistry. These reefs experienced large ranges in pH (> 0.2 amplitude) each day, similar to the magnitude of 'acidification' expected over the next century. Daily benthic pH, pCO2, and aragonite saturation state (Ωaragonite) were contrasted with seasonal threshold values estimated from open ocean climatological data extrapolated at each island to determine relative inter-island feedbacks. Diurnal amplitude in pH, pCO2, and Ωaragonite at each island was dependent upon the resident species assemblage of the benthos and was particularly reliant upon the biomass, productivity, and calcification rate of Halimeda. Net primary productivity of fleshy algae (algal turfs and Lobophora spp.) predominated on degraded, inhabited islands where net community calcification was negligible. In contrast, the chemistry over reefs on 'pristine', uninhabited islands was driven largely by net calcification of calcareous algae and stony

Modelling drug degradation in a spray dried polymer dispersion using a modified Arrhenius equation.

PubMed

Patterson, Adele; Ferreira, Ana P; Banks, Elizabeth; Skeene, Kirsty; Clarke, Graham; Nicholson, Sarah; Rawlinson-Malone, Clare

2015-01-15

The Pharmaceutical industry is increasingly utilizing amorphous technologies to overcome solubility challenges. A common approach is the use of drug in polymer dispersions to prevent recrystallization of the amorphous drug. Understanding the factors affecting chemical and physical degradation of the drug within these complex systems, e.g., temperature and relative humidity, is an important step in the selection of a lead formulation, and development of appropriate packaging/storage control strategies. The Arrhenius equation has been used as the basis of a number of models to predict the chemical stability of formulated product. In this work, we investigate the increase in chemical degradation seen for one particular spray dried dispersion formulation using hydroxypropyl methylcellulose acetate succinate (HPMC-AS). Samples, prepared using polymers with different substitution levels, were placed on storage for 6 months under a range of different temperature and relative humidity conditions and the degradant level monitored using high-performance liquid chromatography (HPLC). While the data clearly illustrates the impact of temperature and relative humidity on the degradant levels detected, it also highlighted that these terms do not account for all the variability in the data. An extension of the Arrhenius equation to include a term for the polymer chemistry, specifically the degree of succinoyl substitution on the polymer backbone, was shown to improve the fit of the model to the data. Copyright © 2014 Elsevier B.V. All rights reserved.

Intrinsic immunogenicity of rapidly-degradable polymers evolves during degradation.

PubMed

Andorko, James I; Hess, Krystina L; Pineault, Kevin G; Jewell, Christopher M

2016-03-01

Recent studies reveal many biomaterial vaccine carriers are able to activate immunostimulatory pathways, even in the absence of other immune signals. How the changing properties of polymers during biodegradation impact this intrinsic immunogenicity is not well studied, yet this information could contribute to rational design of degradable vaccine carriers that help direct immune response. We use degradable poly(beta-amino esters) (PBAEs) to explore intrinsic immunogenicity as a function of the degree of polymer degradation and polymer form (e.g., soluble, particles). PBAE particles condensed by electrostatic interaction to mimic a common vaccine approach strongly activate dendritic cells, drive antigen presentation, and enhance T cell proliferation in the presence of antigen. Polymer molecular weight strongly influences these effects, with maximum stimulation at short degradation times--corresponding to high molecular weight--and waning levels as degradation continues. In contrast, free polymer is immunologically inert. In mice, PBAE particles increase the numbers and activation state of cells in lymph nodes. Mechanistic studies reveal that this evolving immunogenicity occurs as the physicochemical properties and concentration of particles change during polymer degradation. This work confirms the immunological profile of degradable, synthetic polymers can evolve over time and creates an opportunity to leverage this feature in new vaccines. Degradable polymers are increasingly important in vaccination, but how the inherent immunogenicity of polymers changes during degradation is poorly understood. Using common rapidly-degradable vaccine carriers, we show that the activation of immune cells--even in the absence of other adjuvants--depends on polymer form (e.g., free, particulate) and the extent of degradation. These changing characteristics alter the physicochemical properties (e.g., charge, size, molecular weight) of polymer particles, driving changes in

Green Chemistry and Education.

ERIC Educational Resources Information Center

Hjeresen, Dennis L.; Schutt, David L.; Boese, Janet M.

2000-01-01

Many students today are profoundly interested in the sustainability of their world. Introduces Green Chemistry and its principles with teaching materials. Green Chemistry is the use of chemistry for pollution prevention and the design of chemical products and processes that are environmentally benign. (ASK)

A note on image degradation, disability glare, and binocular vision

NASA Astrophysics Data System (ADS)

Rajaram, Vandana; Lakshminarayanan, Vasudevan

2013-08-01

Disability glare due to scattering of light causes a reduction in visual performance due to a luminous veil over the scene. This causes problem such as contrast detection. In this note, we report a study of the effect of this veiling luminance on human stereoscopic vision. We measured the effect of glare on the horopter measured using the apparent fronto-parallel plane (AFPP) criterion. The empirical longitudinal horopter measured using the AFPP criterion was analyzed using the so-called analytic plot. The analytic plot parameters were used for quantitative measurement of binocular vision. Image degradation plays a major effect on binocular vision as measured by the horopter. Under the conditions tested, it appears that if vision is sufficiently degraded then the addition of disability glare does not seem to significantly cause any further compromise in depth perception as measured by the horopter.

SEDIMENT AND POREWATER CHEMISTRY

EPA Science Inventory

This chapter reviews sediment chemistry, its effect on porewater chemistry and how this chemistry changes from place to place. We focus on the overall chemical environment of the sediments, for which a great deal is known from studies on sediment diagenesis and from which some pr...

CHEMISTRY, A GUIDE FOR TEACHERS.

ERIC Educational Resources Information Center

WHEELER, HUBERT

THE VOLUME INCLUDES AN INTRODUCTION, THE COURSE CONTENT IN CHEMISTRY, AND FIVE APPENDIXES OF USEFUL INFORMATION. THE CHEMISTRY COURSE CONTENT IS FURTHER SUBDIVIDED INTO FIVE SECTIONS--(1) THE OVERVIEW, (2) CHEMICAL REACTIONS, (3) CHEMICAL BONDING AND MOLECULAR ARCHITECTURE, (4) DESCRIPTIVE CHEMISTRY, AND (5) ADVANCED CHEMISTRY. EACH OF THE FIVE…

Chemistry, Poetry, and Artistic Illustration: An Interdisciplinary Approach to Teaching and Promoting Chemistry

ERIC Educational Resources Information Center

Furlan, Ping Y.; Kitson, Herbert; Andes, Cynthia

2007-01-01

This article describes a successful interdisciplinary collaboration among chemistry, humanities and English faculty members, who utilized poetry and artistic illustration to help students learn, appreciate, and enjoy chemistry. Students taking general chemistry classes were introduced to poetry writing and museum-type poster preparation during one…

A Colorimetric Analysis Experiment Not Requiring a Spectrophotometer: Quantitative Determination of Albumin in Powdered Egg White

ERIC Educational Resources Information Center

Charlton, Amanda K.; Sevcik, Richard S.; Tucker, Dorie A.; Schultz, Linda D.

2007-01-01

A general science experiment for high school chemistry students might serve as an excellent review of the concepts of solution preparation, solubility, pH, and qualitative and quantitative analysis of a common food product. The students could learn to use safe laboratory techniques, collect and analyze data using proper scientific methodology and…

Trends in Ph.D. Productivity and Diversity in Top-50 U.S. Chemistry Departments: An Institutional Analysis

ERIC Educational Resources Information Center

Laursen, Sandra L.; Weston, Timothy J.

2014-01-01

The education of doctoral chemists contributes to the chemical research enterprise and thus to innovation as an engine of the economy. This quantitative analysis describes trends in the production and diversity of chemistry Ph.D. degrees in the top-50 U.S. Ph.D.-granting departments in the past two decades. Time series data for individual…

Rapid estimation of glucosinolate thermal degradation rate constants in leaves of Chinese kale and broccoli (Brassica oleracea) in two seasons.

PubMed

Hennig, Kristin; Verkerk, Ruud; Bonnema, Guusje; Dekker, Matthijs

2012-08-15

Kinetic modeling was used as a tool to quantitatively estimate glucosinolate thermal degradation rate constants. Literature shows that thermal degradation rates differ in different vegetables. Well-characterized plant material, leaves of broccoli and Chinese kale plants grown in two seasons, was used in the study. It was shown that a first-order reaction is appropriate to model glucosinolate degradation independent from the season. No difference in degradation rate constants of structurally identical glucosinolates was found between broccoli and Chinese kale leaves when grown in the same season. However, glucosinolate degradation rate constants were highly affected by the season (20-80% increase in spring compared to autumn). These results suggest that differences in glucosinolate degradation rate constants can be due to variation in environmental as well as genetic factors. Furthermore, a methodology to estimate rate constants rapidly is provided to enable the analysis of high sample numbers for future studies.

Anodes Stimulate Anaerobic Toluene Degradation via Sulfur Cycling in Marine Sediments

PubMed Central

Daghio, Matteo; Vaiopoulou, Eleni; Patil, Sunil A.; Suárez-Suárez, Ana; Head, Ian M.

2015-01-01

Hydrocarbons released during oil spills are persistent in marine sediments due to the absence of suitable electron acceptors below the oxic zone. Here, we investigated an alternative bioremediation strategy to remove toluene, a model monoaromatic hydrocarbon, using a bioanode. Bioelectrochemical reactors were inoculated with sediment collected from a hydrocarbon-contaminated marine site, and anodes were polarized at 0 mV and +300 mV (versus an Ag/AgCl [3 M KCl] reference electrode). The degradation of toluene was directly linked to current generation of up to 301 mA m−2 and 431 mA m−2 for the bioanodes polarized at 0 mV and +300 mV, respectively. Peak currents decreased over time even after periodic spiking with toluene. The monitoring of sulfate concentrations during bioelectrochemical experiments suggested that sulfur metabolism was involved in toluene degradation at bioanodes. 16S rRNA gene-based Illumina sequencing of the bulk anolyte and anode samples revealed enrichment with electrocatalytically active microorganisms, toluene degraders, and sulfate-reducing microorganisms. Quantitative PCR targeting the α-subunit of the dissimilatory sulfite reductase (encoded by dsrA) and the α-subunit of the benzylsuccinate synthase (encoded by bssA) confirmed these findings. In particular, members of the family Desulfobulbaceae were enriched concomitantly with current production and toluene degradation. Based on these observations, we propose two mechanisms for bioelectrochemical toluene degradation: (i) direct electron transfer to the anode and/or (ii) sulfide-mediated electron transfer. PMID:26497463

Quantitative proteomic study of Aspergillus Fumigatus secretome revealed deamidation of secretory enzymes.

PubMed

Adav, Sunil S; Ravindran, Anita; Sze, Siu Kwan

2015-04-24

Aspergillus sp. plays an essential role in lignocellulosic biomass recycling and is also exploited as cell factories for the production of industrial enzymes. This study profiled the secretome of Aspergillus fumigatus when grown with cellulose, xylan and starch by high throughput quantitative proteomics using isobaric tags for relative and absolute quantification (iTRAQ). Post translational modifications (PTMs) of proteins play a critical role in protein functions. However, our understanding of the PTMs in secretory proteins is limited. Here, we present the identification of PTMs such as deamidation of secreted proteins of A. fumigatus. This study quantified diverse groups of extracellular secreted enzymes and their functional classification revealed cellulases and glycoside hydrolases (32.9%), amylases (0.9%), hemicellulases (16.2%), lignin degrading enzymes (8.1%), peptidases and proteases (11.7%), chitinases, lipases and phosphatases (7.6%), and proteins with unknown function (22.5%). The comparison of quantitative iTRAQ results revealed that cellulose and xylan stimulates expression of specific cellulases and hemicellulases, and their abundance level as a function of substrate. In-depth data analysis revealed deamidation as a major PTM of key cellulose hydrolyzing enzymes like endoglucanases, cellobiohydrolases and glucosidases. Hemicellulose degrading endo-1,4-beta-xylanase, monosidases, xylosidases, lignin degrading laccase, isoamyl alcohol oxidase and oxidoreductases were also found to be deamidated. The filamentous fungi play an essential role in lignocellulosic biomass recycling and fungal strains belonging to Aspergillus were also exploited as cell factories for the production of organic acids, pharmaceuticals, and industrially important enzymes. In this study, extracellular proteins secreted by thermophilic A. fumigatus when grown with cellulose, xylan and starch were profiled using isobaric tags for relative and absolute quantification (iTRAQ) by

Materials Chemistry and Performance of Silicone-Based Replicating Compounds.

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

Brumbach, Michael T.; Mirabal, Alex James; Kalan, Michael

Replicating compounds are used to cast reproductions of surface features on a variety of materials. Replicas allow for quantitative measurements and recordkeeping on parts that may otherwise be difficult to measure or maintain. In this study, the chemistry and replicating capability of several replicating compounds was investigated. Additionally, the residue remaining on material surfaces upon removal of replicas was quantified. Cleaning practices were tested for several different replicating compounds. For all replicating compounds investigated, a thin silicone residue was left by the replica. For some compounds, additional inorganic species could be identified in the residue. Simple solvent cleaning could removemore » some residue.« less

Tropospheric Chemistry Studies using Observations from GOME and TOMS

NASA Technical Reports Server (NTRS)

Chance, Kelly; Spurr, Robert J. D.; Kurosu, Thomas P.; Jacob, Daniel J.; Gleason, James F.

2003-01-01

Studies to quantitatively determine trace gas and aerosol amounts from the Global Ozone Monitoring Experiment (GOME) and the Total Ozone Monitoring Experiment (TOMS) and to perform chemical modeling studies which utilize these results are given. This includes: 1. Analysis of measurements from the GOME and TOMS instruments for troposphere distributions of O3 and HCHO; troposphere enhancements of SO2, NO2 and aerosols associated with major sources; and springtime events of elevated BrO in the lower Arctic troposphere. 2. Application of a global 3-dimensional model of troposphere chemistry to interpret the GOME observations in terms of the factors controlling the abundances of troposphere ozone and OH.

Real-time PCR for rapidly detecting aniline-degrading bacteria in activated sludge.

PubMed

Kayashima, Takakazu; Suzuki, Hisako; Maeda, Toshinari; Ogawa, Hiroaki I

2013-05-01

We developed a detection method that uses quantitative real-time PCR (qPCR) and the TaqMan system to easily and rapidly assess the population of aniline-degrading bacteria in activated sludge prior to conducting a biodegradability test on a chemical compound. A primer and probe set for qPCR was designed by a multiple alignment of conserved amino acid sequences encoding the large (α) subunit of aniline dioxygenase. PCR amplification tests showed that the designed primer and probe set targeted aniline-degrading strains such as Acidovorax sp., Gordonia sp., Rhodococcus sp., and Pseudomonas putida, thereby suggesting that the developed method can detect a wide variety of aniline-degrading bacteria. There was a strong correlation between the relative copy number of the α-aniline dioxygenase gene in activated sludge obtained with the developed qPCR method and the number of aniline-degrading bacteria measured by the Most Probable Number method, which is the conventional method, and a good correlation with the lag time of the BOD curve for aniline degradation produced by the biodegradability test in activated sludge samples collected from eight different wastewater treatment plants in Japan. The developed method will be valuable for the rapid and accurate evaluation of the activity of inocula prior to conducting a ready biodegradability test. Copyright © 2013 Elsevier Ltd. All rights reserved.

Study of Degradation Kinetics of Parathion Methyl On Mixed Nanocrystalline Titania-Zirconium and Titania-Cerium Oxides

NASA Astrophysics Data System (ADS)

Kuráň, Pavel; Pšenička, Martin; Šťastný, Martin; Benkocká, Monika; Janoš, Pavel

2016-10-01

The unique surface properties of some nanocrystalline metal oxides and their application for removal of various toxic compounds were reported in early 1990s. Recently, a reliable method for the preparation of reactive cerium dioxide sorbent and its application for degradation of the organophosphate pesticides, such as parathion methyl, chlorpyrifos, dichlofenthion, fenchlorphos, and prothiofos, as well as of some chemical warfare agents-nerve gases soman and O-ethyl S-[2-(diisopropylamino) ethyl] methylphosphonothioate (VX) was published. This paper reports on the kinetics study of degradation of parathion methyl as a representative organophosphate on nanocrystalline metal oxides TiO2, ZrO2, CeO2 and their mixtures in different molar ratios of particular elements. The tested sorbents except of CeO2 were prepared by different methods (e.g. sol-gel, precipitation) in cooperation with Institute of Inorganic Chemistry (Rez, Czech Republic). The degradation kinetics of parathion methyl on tested sorbents was followed by HPLC equipped with diode array detector. The basic kinetics parameters (half-lives of parathion methyl degradation, rate constants of degradation product formation) were calculated for each sorbent from Weber-Morris equation of 1st order diffusion kinetic model. The results proved the ability of prepared sorbents to degrade parathion methyl under formation of 4-nitrophenol as the main degradation product. The most efficient sorbents were TiCe (2:8), TiCe (1:1), TiCe (0:1) (50-70 %) followed by TiZr (1:1), TiCe (8:2), TiZr (8:2), TiZr (2:8) (20-30%) and TiO2, ZrO2 (less than 5 %).

Quantitative structure parameters from the NMR spectroscopy of quadrupolar nuclei

DOE PAGES

Perras, Frederic A.

2015-12-15

Here, nuclear magnetic resonance (NMR) spectroscopy is one of the most important characterization tools in chemistry, however, 3/4 of the NMR active nuclei are underutilized due to their quadrupolar nature. This short review centers on the development of methods that use solid-state NMR of quadrupolar nuclei for obtaining quantitative structural information. Namely, techniques using dipolar recoupling as well as the resolution afforded by double-rotation are presented for the measurement of spin–spin coupling between quadrupoles, enabling the measurement of internuclear distances and connectivities.

Relational Analysis of College Chemistry-Major Students' Conceptions of and Approaches to Learning Chemistry

ERIC Educational Resources Information Center

Li, Wei-Ting; Liang, Jyh-Chong; Tsai, Chin-Chung

2013-01-01

The purpose of this research was to examine the relationships between conceptions of learning and approaches to learning in chemistry. Two questionnaires, conceptions of learning chemistry (COLC) and approaches to learning chemistry (ALC), were developed to identify 369 college chemistry-major students' (220 males and 149 females) conceptions of…

Degradation and removal of Ceftriaxone sodium in aquatic environment with Bi2WO6/g-C3N4 photocatalyst.

PubMed

Zhao, Yanyan; Liang, Xuhua; Wang, Yongbo; Shi, Huanxian; Liu, Enzhou; Fan, Jun; Hu, Xiaoyun

2018-08-01

Modern chemistry aims to identify outstanding photocatalytic materials for antibiotic degradation given the overuse and misuse of antibiotics. Herein, highly efficient heterojunction photocatalysts composed of Bi 2 WO 6 nanoflowers (BW) and g-C 3 N 4 nanosheets (CNNs) were successfully synthesized. The Bi 2 WO 6 /g-C 3 N 4 (BW/CNNs) were presented for Ceftriaxone sodium degradation in the aquatic environment at low concentrations under visible light irradiation. The 40%-BW/CNNs showed excellent photocatalytic activity, and approximately 94.50% Ceftriaxone sodium was degraded under visible lightirradiation for 120 min. h + and O 2 - played major roles compared with ·OH in the photocatalytic process. The degradation mechanism and the intermediate products were proposed to better understand the reaction process. Moreover, the as-prepared photocatalysts were highly stable in recycling photocatalytic experiments. Therefore, the photocatalysts prepared in the study showed outstanding photocatalytic activity and potential applications in inhibiting environmental pollution. In addition, this work provides a new insight for constructing other high-performance, low-cost photocatalysts for wastewater treatment. Copyright © 2018 Elsevier Inc. All rights reserved.

Comparisons of Three-Dimensional Variational Data Assimilation and Model Output Statistics in Improving Atmospheric Chemistry Forecasts

NASA Astrophysics Data System (ADS)

Ma, Chaoqun; Wang, Tijian; Zang, Zengliang; Li, Zhijin

2018-07-01

Atmospheric chemistry models usually perform badly in forecasting wintertime air pollution because of their uncertainties. Generally, such uncertainties can be decreased effectively by techniques such as data assimilation (DA) and model output statistics (MOS). However, the relative importance and combined effects of the two techniques have not been clarified. Here, a one-month air quality forecast with the Weather Research and Forecasting-Chemistry (WRF-Chem) model was carried out in a virtually operational setup focusing on Hebei Province, China. Meanwhile, three-dimensional variational (3DVar) DA and MOS based on one-dimensional Kalman filtering were implemented separately and simultaneously to investigate their performance in improving the model forecast. Comparison with observations shows that the chemistry forecast with MOS outperforms that with 3DVar DA, which could be seen in all the species tested over the whole 72 forecast hours. Combined use of both techniques does not guarantee a better forecast than MOS only, with the improvements and degradations being small and appearing rather randomly. Results indicate that the implementation of MOS is more suitable than 3DVar DA in improving the operational forecasting ability of WRF-Chem.

Plasma chemistry as a tool for green chemistry, environmental analysis and waste management.

PubMed

Mollah, M Y; Schennach, R; Patscheider, J; Promreuk, S; Cocke, D L

2000-12-15

The applications of plasma chemistry to environmental problems and to green chemistry are emerging fields that offer unique opportunities for advancement. There has been substantial progress in the application of plasmas to analytical diagnostics and to waste reduction and waste management. This review discusses the chemistry and physics necessary to a basic understanding of plasmas, something that has been missing from recent technical reviews. The current status of plasmas in environmental chemistry is summarized and emerging areas of application for plasmas are delineated. Plasmas are defined and discussed in terms of their properties that make them useful for environmental chemistry. Information is drawn from diverse fields to illustrate the potential applications of plasmas in analysis, materials modifications and hazardous waste treatments.

Glutathione Degradation.

PubMed

Bachhawat, Anand Kumar; Kaur, Amandeep

2017-11-20

Glutathione degradation has for long been thought to occur only on noncytosolic pools. This is because there has been only one enzyme known to degrade glutathione (γ-glutamyl transpeptidase) and this localizes to either the plasma membrane (mammals, bacteria) or the vacuolar membrane (yeast, plants) and acts on extracellular or vacuolar pools. The last few years have seen the discovery of several new enzymes of glutathione degradation that function in the cytosol, throwing new light on glutathione degradation. Recent Advances: The new enzymes that have been identified in the last few years that can initiate glutathione degradation include the Dug enzyme found in yeast and fungi, the ChaC1 enzyme found among higher eukaryotes, the ChaC2 enzyme found from bacteria to man, and the RipAY enzyme found in some bacteria. These enzymes play roles ranging from housekeeping functions to stress responses and are involved in processes such as embryonic neural development and pathogenesis. In addition to delineating the pathways of glutathione degradation in detail, a critical issue is to find how these new enzymes impact cellular physiology and homeostasis. Glutathione degradation plays a far greater role in cellular physiology than previously envisaged. The differential regulation and differential specificities of various enzymes, each acting on distinct pools, can lead to different consequences to the cell. It is likely that the coming years will see these downstream effects being unraveled in greater detail and will lead to a better understanding and appreciation of glutathione degradation. Antioxid. Redox Signal. 27, 1200-1216.

Optimal reconfiguration strategy for a degradable multimodule computing system

NASA Technical Reports Server (NTRS)

Lee, Yann-Hang; Shin, Kang G.

1987-01-01

The present quantitative approach to the problem of reconfiguring a degradable multimode system assigns some modules to computation and arranges others for reliability. By using expected total reward as the optimal criterion, there emerges an active reconfiguration strategy based not only on the occurrence of failure but the progression of the given mission. This reconfiguration strategy requires specification of the times at which the system should undergo reconfiguration, and the configurations to which the system should change. The optimal reconfiguration problem is converted to integer nonlinear knapsack and fractional programming problems.

Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research

PubMed Central

Qasim, Mohammad M.; Moore, Brett; Taylor, Lyssa; Honea, Patricia; Gorb, Leonid; Leszczynski, Jerzy

2007-01-01

Although much has been discovered, discussed and written as to problems of contamination by various military unique compounds, particularly by the nitrogen based energetics (NOCs), remaining problems dictate further evaluation of actual and potential risk to the environment by these energetics and their derivatives and metabolites through determination of their environmental impact—transport, fate and toxicity. This work comprises an effort to understand structural relationships and degradation mechanisms of current and emerging explosives, including nitroaromatic; cyclic and cage cyclic nitramine; and a nitrocubane. This review of our computational chemistry and spectroscopic research describes and compares competitive degradation mechanisms by free radical oxidative, reductive and alkali hydrolysis, relating them, when possible, to environmental risk.

Metalloporphyrins as Oxidation Catalysts: Moving toward "Greener" Chemistry in the Inorganic Chemistry Laboratory

ERIC Educational Resources Information Center

Clark, Rose A.; Stock, Anne E.; Zovinka, Edward P.

2012-01-01

Training future chemists to be aware of the environmental impact of their work is of fundamental importance to global society. To convince chemists to embrace sustainability, the integration of green chemistry across the entire chemistry curriculum is a necessary step. This experiment expands the reach of green chemistry techniques into the…

Cocrystal Controlled Solid-State Synthesis: A Green Chemistry Experiment for Undergraduate Organic Chemistry

ERIC Educational Resources Information Center

Cheney, Miranda L.; Zaworotko, Michael J.; Beaton, Steve; Singer, Robert D.

2008-01-01

Green chemistry has become an important area of concern for all chemists from practitioners in the pharmaceutical industry to professors and the students they teach and is now being incorporated into lectures of general and organic chemistry courses. However, there are relatively few green chemistry experiments that are easily incorporated into…

Quantitative EPMA Compositional Mapping of NWA 2995: Characterization, and Petrologic Interpretation of Mafic Clasts

NASA Technical Reports Server (NTRS)

Carpenter, P. K.; Hahn, T. M.; Korotev, R. L.; Ziegler, R. A.; Jolliff, B. L.

2017-01-01

We present the first fully quantitative compositional maps of lunar meteorite NWA 2995 using electron microprobe stage mapping, and compare selected clast mineralogy and chemistry. NWA 2995 is a feldspathic fragmental breccia containing numerous highland fine grained lithologies, including anorthosite, norite, olivine basalt, subophitic basalt, gabbro, KREEP-like basalt, granulitic and glassy impact melts, coarse-grained mineral fragments, Fe-Ni metal, and glassy matrix [1]. Chips of NWA 2995, representing these diverse materials, were analyzed by INAA and fused-bead electron-probe microanalysis (EPMA); comparison of analytical data suggests grouping of lunar meteorites NWA 2995, 2996, 3190, 4503, 5151, and 5152. The mean composition of NWA 2995 corresponds to a 2:1 mixture of feldspathic and mare material, with approximately 5% KREEP component [2]. Clast mineral chemistry and petrologic interpretation of paired stone NWA 2996 has been reported by Mercer et al. [3], and Gross et al. [4]. This study combines advances in quantitative EPMA compositional mapping and data analysis, as applied to selected mafic clasts in a polished section of NWA 2995, to investigate the origin of mafic lithic components and to demonstrate a procedural framework for petrologic analysis.

Degradation of organic pollutants by Vacuum-Ultraviolet (VUV): Kinetic model and efficiency.

PubMed

Xie, Pengchao; Yue, Siyang; Ding, Jiaqi; Wan, Ying; Li, Xuchun; Ma, Jun; Wang, Zongping

2018-04-15

Vacuum-Ultraviolet (VUV), an efficient and green method to produce hydroxyl radical (•OH), is effective in degrading numerous organic contaminants in aqueous solution. Here, we proposed an effective and simple kinetic model to describe the degradation of organic pollutants in VUV system, by taking the •OH scavenging effects of formed organic intermediates as co-existing organic matter in whole. Using benzoic acid (BA) as a •OH probe, •OH was regarded vital for pollutant degradation in VUV system, and the thus developed model successfully predicted its degradation kinetics under different conditions. Effects of typical influencing factors such as BA concentrations and UV intensity were investigated quantitatively by the model. Temperature was found to be an important influencing factor in the VUV system, and the quantum yield of •OH showed a positive linear dependence on temperature. Impacts of humic acid (HA), alkalinity, chloride, and water matrices (realistic waters) on the oxidation efficiency were also examined. BA degradation was significantly inhibited by HA due to its scavenging of •OH, but was influenced much less by the alkalinity and chloride; high oxidation efficiency was still obtained in the realistic water. The degradation kinetics of three other typical micropollutants including bisphenol A (BPA), nitrobenzene (NB) and dimethyl phthalate (DMP), and the mixture of co-existing BA, BPA and DMP were further studied, and the developed model predicted the experimental data well, especially in realistic water. It is expected that this study will provide an effective approach to predict the degradation of organic micropollutants by the promising VUV system, and broaden the application of VUV system in water treatment. Copyright © 2018 Elsevier Ltd. All rights reserved.

Chemistry for Potters.

ERIC Educational Resources Information Center

Denio, Allen A.

1980-01-01

Relates pottery making to chemistry by providing chemical information about clay, its origin, composition, properties, and changes that occur during firing; also describes glaze compositions, examples of redox chemistry, salt glazing, crystalline glazes, and problems in toxicity. (CS)

Optimization of Enterobacter cloacae (KU923381) for diesel oil degradation using response surface methodology (RSM).

PubMed

Ramasamy, Sugumar; Arumugam, Arumugam; Chandran, Preethy

2017-02-01

Efficiency of Enterobacter cloacae KU923381 isolated from petroleum hydrocarbon contaminated soil was evaluated in batch culture and bioreactor mode. The isolate were screened for biofilm formation using qualitative and quantitative assays. Response surface methodology (RSM) was used to study the effect of pH, temperature, glucose concentration, and sodium chloride on diesel degradation. The predicted values for diesel oil degradation efficiency by the statistical designs are in a close agreement with experimental data (R 2 = 99.66%). Degradation efficiency is increased by 36.78% at pH = 7, temperature = 35°C, glucose = 5%, and sodium chloride concentration = 5%. Under the optimized conditions, the experiments were performed for diesel oil degradation by gas chromatographic mass spectrometric analysis (GC-MS). GC-MS analysis confirmed that E. cloacae had highly degrade hexadecane, heptadecane, tridecane, and docosane by 99.71%, 99.23%, 99.66%, and 98.34% respectively. This study shows that rapid bioremoval of hydrocarbons in diesel oil is acheived by E. cloacae with abet of biofilm formation. The potential use of the biofilms for preparing trickling filters (gravel particles) for the degradation of hydrocarbons from petroleum wastes before their disposal in the open environment is highly suggested. This is the first successful attempt for artificially establishing petroleum hydrocarbon degrading bacterial biofilm on solid substrates in bioreactor.

Degradation Kinetics Study of Alogliptin Benzoate in Alkaline Medium by Validated Stability-Indicating HPTLC Method.

PubMed

Bodiwala, Kunjan Bharatkumar; Shah, Shailesh; Thakor, Jeenal; Marolia, Bhavin; Prajapati, Pintu

2016-11-01

A rapid, sensitive, and stability-indicating high-performance thin-layer chromatographic method was developed and validated to study degradation kinetics of Alogliptin benzoate (ALG) in an alkaline medium. ALG was degraded under acidic, alkaline, oxidative, and thermal stress conditions. The degraded samples were chromatographed on silica gel 60F254-TLC plates, developed using a quaternary-solvent system (chloroform-methanol-ethyl acetate-triethyl amine, 9+1+1+0.5, v/v/v/v), and scanned at 278 nm. The developed method was validated per International Conference on Harmonization guidelines using validation parameters such as specificity, linearity and range, precision, accuracy, LOD, and LOQ. The linearity range for ALG was 100-500 ng/band (correlation coefficient = 0.9997) with an average recovery of 99.47%. The LOD and LOQ for ALG were 9.8 and 32.7 ng/band, respectively. The developed method was successfully applied for the quantitative estimation of ALG in its synthetic mixture with common excipients. Degradation kinetics of ALG in an alkaline medium was studied by degrading it under three different temperatures and three different concentrations of alkali. Degradation of ALG in the alkaline medium was found to follow first-order kinetics. Contour plots have been generated to predict degradation rate constant, half-life, and shelf life of ALG in various combinations of temperature and concentration of alkali using Design Expert software.

Nanostructured Metal Oxides for Stoichiometric Degradation of Chemical Warfare Agents.

PubMed

Štengl, Václav; Henych, Jiří; Janoš, Pavel; Skoumal, Miroslav

2016-01-01

Metal oxides have very important applications in many areas of chemistry, physics and materials science; their properties are dependent on the method of preparation, the morphology and texture. Nanostructured metal oxides can exhibit unique characteristics unlike those of the bulk form depending on their morphology, with a high density of edges, corners and defect surfaces. In recent years, methods have been developed for the preparation of metal oxide powders with tunable control of the primary particle size as well as of a secondary particle size: the size of agglomerates of crystallites. One of the many ways to take advantage of unique properties of nanostructured oxide materials is stoichiometric degradation of chemical warfare agents (CWAs) and volatile organic compounds (VOC) pollutants on their surfaces.

Engineering single-molecule, nanoscale, and microscale bio-functional materials via click chemistry

NASA Astrophysics Data System (ADS)

Daniele, Michael Angelo-Anthony

To expand the design envelope and supplement the materials library available to biomaterials scientists, the copper(I)-catalyzed azide-alkyne cycloaddition (CuCAAC) was explored as a route to design, synthesize and characterize bio-functional small-molecules, nanoparticles, and microfibers. In each engineered system, the use of click chemistry provided facile, bio-orthogonal control for materials synthesis; moreover, the results provided a methodology and more complete, fundamental understanding of the use of click chemistry as a tool for the synergy of biotechnology, polymer and materials science. Fluorophores with well-defined photophysical characteristics (ranging from UV to NIR fluorescence) were used as building blocks for small-molecule, fluorescent biosensors. Fluorophores were paired to exhibit fluorescence resonant energy transfer (FRET) and used to probe the metabolic activity of carbazole 1,9a-dioxygenase (CARDO). The FRET pair exhibited a significant variation in PL response with exposure to the lysate of Pseudomonas resinovorans CA10, an organism which can degrade variants of both the donor and acceptor fluorophores. Nanoparticle systems were modified via CuCAAC chemistry to carry affinity tags for CARDO and were subsequently utilized for affinity based bioseparation of CARDO from crude cell lysate. The enzymes were baited with an azide-modified carbazolyl-moiety attached to a poly(propargyl acrylate) nanoparticle. Magnetic nanocluster systems were also modified via CuCAAC chemistry to carry fluorescent imaging tags. The iron-oxide nanoclusters were coated with poly(acrylic acid-co-propargyl acrylate) to provide a clickable surface. Ultimately, alternate Cu-free click chemistries were utilized to produce biohybrid microfibers. The biohybrid microfibers were synthesized under benign photopolymerization conditions inside a microchannel, allowing the encapsulation of viable bacteria. By adjusting pre-polymer solutions and laminar flow rates within the

Quantitative Analysis of Relevant Soil, Land-use and Climate Characteristics on Landscape Degradation in Hungary

NASA Astrophysics Data System (ADS)

Kertesz, Adam; Mika, Janos; Jakab, Gergely; Palinkas, Melinda

2017-04-01

The objective of our research is to survey degradation processes acting in each micro-region of Hungary in connection with geographical and climatic characteristics. A survey of land degradation processes has been carried out at medium scale (1:50 000) to identify the affected areas of the region. Over 18,000 rectangles of Hungary have been digitally characterised for several types of land degradation. Water-flow type gully erosion and soil-loss (RUSLE, 2015: Esdac-data) are studied for dependent variables in this study. USDA textural classes, available water capacity, bulk density, clay content, coarse fragments, silt content, sand content, soil parent material, soil texture, land-use type (Corine, 2012) are used for non-climatic variables. Some of these characteristics are quantified in a non-scalable way, so the first step was to arrange these qualitative codes or pseudo-numbers into monotonous order for including them into the following multi-regression analyses. Data available from the CarpatClim Project (www.carpatclim-eu.org/pages/home) for 1961-2010 are also used in their 50 years averages is seasonal and annual resolution. The selected variables from this gridded data set are global radiation, daily mean temperature, maximum and minimum temperature, number of extreme cold days (< 20 C), precipitation, extreme wet days (>20 mm), days with utilizable precipitation (>1mm/d), potential evapotranspiration, Palmer Index (PDSI), Palfai Index (PAI), relative humidity and wind speed at 10 m height. The gully erosion processes strongly depend on the investigated non-climatic variables, mostly on parent material and slope. The group of further climatic factors is formed by winter relative humidity, wind speed and all-year round Palmer index. Besides leading role of the above non-climatic factors, additional effects of the significant climate variables are difficult to interpret. Nevertheless, the partial effects of these climate variables are combined with future

Machine learning for the prediction of L. chinensis carbon, nitrogen and phosphorus contents and understanding of mechanisms underlying grassland degradation.

PubMed

Li, Yuefen; Liang, Shuo; Zhao, Yiying; Li, Wenbo; Wang, Yuejiao

2017-05-01

The grasslands of Western Jilin Province in China have experienced severe degradation during the last 50 years. Radial basis function neural networks (RBFNN) and support vector machines (SVM) were used to predict the carbon, nitrogen, and phosphorus contents of Leymus chinensis (L. chinensis) and explore the degree of grassland degradation using the matter-element extension model. Both RBFNN and SVM demonstrated good prediction accuracy. The results indicated that there was severe degradation, as samples were mainly concentrated in the 3rd and 4th levels. The growth of L. chinensis was shown to be limited by either nitrogen, phosphorus, or both during different stages of degradation. The soil chemistry changed noticeably as degradation aggravated, which represents a destabilization of L. chinensis community homeostasis. Soil salinization aggravates soil nutrient loss and decreases the bioavailability of soil nutrients. This, along with the destabilization of C/N, C/P and N/P ratios, weakens the photosynthetic ability and productivity of L. chinensis. This conclusion was supported by observations that L. chinensis is gradually being replaced by a Chloris virgata, Puccinellia tenuiflora and Suaeda acuminate mixed community. Copyright © 2017 Elsevier Ltd. All rights reserved.

Alkaline degradation studies of anion exchange polymers to enable new membrane designs

NASA Astrophysics Data System (ADS)

Nunez, Sean Andrew

Current performance targets for anion-exchange membrane (AEM) fuel cells call for greater than 95% alkaline stability for 5000 hours at temperatures up to 120 °C. Using this target temperature of 120 °C, an incisive 1H NMR-based alkaline degradation method to identify the degradation products of n-alkyl spacer tetraalkylammonium cations in various AEM polymers and small molecule analogs. Herein, the degradation mechanisms and rates of benzyltrimethylammonium-, n-alkyl interstitial spacer- and n-alkyl terminal pendant-cations are studied on several architectures. These findings demonstrate that benzyltrimethylammonium- and n-alkyl terminal pendant cations are more labile than an n-alkyl interstitial spacer cation and conclude that Hofmann elimination is not the predominant mechanism of alkaline degradation. Additionally, the alkaline stability of an n-alkyl interstitial spacer cation is enhanced when combined with an n-alkyl terminal pendant. Interestingly, at 120 °C, an inverse trend was found in the overall alkaline stability of AEM poly(styrene) and AEM poly(phenylene oxide) samples than was previously shown at 80 °C. Successive small molecule studies suggest that at 120 °C, an anion-induced 1,4-elimination degradation mechanism may be activated on styrenic AEM polymers bearing an acidic alpha-hydrogen. In addition, an ATR-FTIR based method was developed to assess the alkaline stability of solid membranes and any added resistance to degradation that may be due to differential solubilities and phase separation. To increase the stability of anion exchange membranes, Oshima magnesate--halogen exchange was demonstrated as a method for the synthesis of new anion exchange membranes that typically fail in the presence of organolithium or Grignard reagents alone. This new chemistry, applied to non-resinous polymers for the first time, proved effective for the n-akyl interstitial spacer functionalization of poly(phenylene oxide) and poly(styrene- co

Assessment of chloroethene degradation rates based on ratios of daughter/parent compounds in groundwater plumes

NASA Astrophysics Data System (ADS)

Höhener, Patrick

2014-05-01

Chlorinated solvent spills at industrial and urban sites create groundwater plumes where tetrachloro- and trichloroethene may degrade to their daughter compounds, dichloroethenes, vinyl chloride and ethane. The assessment of degradation and natural attenuation at such sites may be based on the analysis and inverse modelling of concentration data, on the calculation of mass fluxes in transsects, and/or on the analysis of stable isotope ratios in the ethenes. Relatively few work has investigated the possibility of using ratio of concentrations for gaining information on degradation rates. The use of ratios bears the advantage that dilution of a single sample with contaminant-free water does not matter. It will be shown that molar ratios of daughter to parent compounds measured along a plume streamline are a rapid and robust mean of determining whether degradation rates increase or decrease along the degradation chain, and allow furthermore a quantitation of the relative magnitude of degradation rates compared to the rate of the parent compound. Furthermore, ratios of concentration will become constant in zones where degradation is absent, and this allows to sketching the extension of actively degrading zones. The assessment is possible for pure sources and also for mixed sources. A quantification method is proposed in order to estimate first-order degradation rates in zones of constant degradation activity. This quantification method includes corrections that are needed due to longitudinal and transversal dispersivity. The method was tested on a number of real field sites from literature. At the majority of these sites, the first-order degradation rates were decreasing along the degradation chain from tetrachloroethene to vinyl chloride, meaning that the latter was often reaching important concentrations. This is bad news for site owners due to the increased toxicity of vinyl chloride compared to its parent compounds.

Compact dry chemistry instruments.

PubMed

Terashima, K; Tatsumi, N

1999-01-01

Compact dry chemistry instruments are designed for use in point-of-care-testing (POCT). These instruments have a number of advantages, including light weight, compactness, ease of operation, and the ability to provide accurate results in a short time with a very small sample volume. On the other hand, reagent costs are high compared to liquid method. Moreover, differences in accuracy have been found between dry chemistry and the liquid method in external quality assessment scheme. This report examines reagent costs and shows how the total running costs associated with dry chemistry are actually lower than those associated with the liquid method. This report also describes methods for minimizing differences in accuracy between dry chemistry and the liquid method. Use of these measures is expected to increase the effectiveness of compact dry chemistry instruments in POCT applications.

Multiplexed target detection using DNA-binding dye chemistry in droplet digital PCR.

PubMed

McDermott, Geoffrey P; Do, Duc; Litterst, Claudia M; Maar, Dianna; Hindson, Christopher M; Steenblock, Erin R; Legler, Tina C; Jouvenot, Yann; Marrs, Samuel H; Bemis, Adam; Shah, Pallavi; Wong, Josephine; Wang, Shenglong; Sally, David; Javier, Leanne; Dinio, Theresa; Han, Chunxiao; Brackbill, Timothy P; Hodges, Shawn P; Ling, Yunfeng; Klitgord, Niels; Carman, George J; Berman, Jennifer R; Koehler, Ryan T; Hiddessen, Amy L; Walse, Pramod; Bousse, Luc; Tzonev, Svilen; Hefner, Eli; Hindson, Benjamin J; Cauly, Thomas H; Hamby, Keith; Patel, Viresh P; Regan, John F; Wyatt, Paul W; Karlin-Neumann, George A; Stumbo, David P; Lowe, Adam J

2013-12-03

Two years ago, we described the first droplet digital PCR (ddPCR) system aimed at empowering all researchers with a tool that removes the substantial uncertainties associated with using the analogue standard, quantitative real-time PCR (qPCR). This system enabled TaqMan hydrolysis probe-based assays for the absolute quantification of nucleic acids. Due to significant advancements in droplet chemistry and buoyed by the multiple benefits associated with dye-based target detection, we have created a "second generation" ddPCR system compatible with both TaqMan-probe and DNA-binding dye detection chemistries. Herein, we describe the operating characteristics of DNA-binding dye based ddPCR and offer a side-by-side comparison to TaqMan probe detection. By partitioning each sample prior to thermal cycling, we demonstrate that it is now possible to use a DNA-binding dye for the quantification of multiple target species from a single reaction. The increased resolution associated with partitioning also made it possible to visualize and account for signals arising from nonspecific amplification products. We expect that the ability to combine the precision of ddPCR with both DNA-binding dye and TaqMan probe detection chemistries will further enable the research community to answer complex and diverse genetic questions.

Performance degradation of space Stirling cryocoolers due to gas contamination

NASA Astrophysics Data System (ADS)

Liu, Xin-guang; Wu, Yi-nong; Yang, Shao-hua; Zhang, Xiao-ming; Lu, Guo-hua; Zhang, Li

2011-08-01

With extensive application of infrared detective techniques, Stirling cryocoolers, used as an active cooling source, have been developed vigorously in China. After the cooler's cooling performance can satisfy the mission's request, its reliability level is crucial for its application. Among all the possible failure mechanisms, gas contamination has been found to be the most notorious cause of cooler's performance degradation by failure analyses. To analyze the characteristic of gas contamination, some experiments were designed and carried out to quantitatively analyze the relationship between failure and performance. Combined with the test results and the outgassing characteristic of non-metal materials in the cryocooler, a degradation model of cooling performance was given by T(t)=T0+A[1-exp(-t/B)] under some assumptions, where t is the running time, T is the Kelvin cooling temperature, and T0, A, B are model parameters, which can be given by the least square method. Here T0 is the fitting initial cooling temperature, A is the maximum range of performance degradation, and B is the time dependent constant of degradation. But the model parameters vary when a cryocooler is running at different cooling temperature ranges, or it is treated by different cleaning process. In order to verify the applicability of the degradation model, data fit analysis on eight groups of cooler's lifetime test was carried out. The final work indicated this model fit well with the performance degradation of space Stirling cryocoolers due to gas contamination and this model could be used to predict or evaluation the cooler's lifetime. Gaseous contamination will not arouse severe performance degradation until the contaminants accumulate to a certain amount, but it could be fatal when it works. So it is more serious to the coolers whose lifetime is more than 10,000 h. The measures taken to control or minimize its damage were discussed as well. To the long-life cryocooler, internal materials

From information theory to quantitative description of steric effects.

PubMed

Alipour, Mojtaba; Safari, Zahra

2016-07-21

Immense efforts have been made in the literature to apply the information theory descriptors for investigating the electronic structure theory of various systems. In the present study, the information theoretic quantities, such as Fisher information, Shannon entropy, Onicescu information energy, and Ghosh-Berkowitz-Parr entropy, have been used to present a quantitative description for one of the most widely used concepts in chemistry, namely the steric effects. Taking the experimental steric scales for the different compounds as benchmark sets, there are reasonable linear relationships between the experimental scales of the steric effects and theoretical values of steric energies calculated from information theory functionals. Perusing the results obtained from the information theoretic quantities with the two representations of electron density and shape function, the Shannon entropy has the best performance for the purpose. On the one hand, the usefulness of considering the contributions of functional groups steric energies and geometries, and on the other hand, dissecting the effects of both global and local information measures simultaneously have also been explored. Furthermore, the utility of the information functionals for the description of steric effects in several chemical transformations, such as electrophilic and nucleophilic reactions and host-guest chemistry, has been analyzed. The functionals of information theory correlate remarkably with the stability of systems and experimental scales. Overall, these findings show that the information theoretic quantities can be introduced as quantitative measures of steric effects and provide further evidences of the quality of information theory toward helping theoreticians and experimentalists to interpret different problems in real systems.

Inactivation of various influenza strains to model avian influenza (Bird Flu) with various disinfectant chemistries.

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

Oberst, R. D.; Bieker, Jill Marie; Souza, Caroline Ann

2005-12-01

Due to the grave public health implications and economic impact possible with the emergence of the highly pathogenic avian influenza A isolate, H5N1, currently circulating in Asia we have evaluated the efficacy of various disinfectant chemistries against surrogate influenza A strains. Chemistries included in the tests were household bleach, ethanol, Virkon S{reg_sign}, and a modified version of the Sandia National Laboratories developed DF-200 (DF-200d, a diluted version of the standard DF-200 formulation). Validation efforts followed EPA guidelines for evaluating chemical disinfectants against viruses. The efficacy of the various chemistries was determined by infectivity, quantitative RNA, and qualitative protein assays. Additionally,more » organic challenges using combined poultry feces and litter material were included in the experiments to simulate environments in which decontamination and remediation will likely occur. In all assays, 10% bleach and Sandia DF-200d were the most efficacious treatments against two influenza A isolates (mammalian and avian) as they provided the most rapid and complete inactivation of influenza A viruses.« less

Genomic, Proteomic, and Metabolite Characterization of Gemfibrozil-Degrading Organism Bacillus sp. GeD10.

PubMed

Kjeldal, Henrik; Zhou, Nicolette A; Wissenbach, Dirk K; von Bergen, Martin; Gough, Heidi L; Nielsen, Jeppe L

2016-01-19

Gemfibrozil is a widely used hypolipidemic and triglyceride lowering drug. Excess of the drug is excreted and discharged into the environment primarily via wastewater treatment plant effluents. Bacillus sp. GeD10, a gemfibrozil-degrader, was previously isolated from activated sludge. It is the first identified bacterium capable of degrading gemfibrozil. Gemfibrozil degradation by Bacillus sp. GeD10 was here studied through genome sequencing, quantitative proteomics and metabolite analysis. From the bacterial proteome of Bacillus sp. GeD10 1974 proteins were quantified, of which 284 proteins were found to be overabundant by more than 2-fold (FDR corrected p-value ≤0.032, fold change (log2) ≥ 1) in response to gemfibrozil exposure. Metabolomic analysis identified two hydroxylated intermediates as well as a glucuronidated hydroxyl-metabolite of gemfibrozil. Overall, gemfibrozil exposure in Bacillus sp. GeD10 increased the abundance of several enzymes potentially involved in gemfibrozil degradation as well as resulted in the production of several gemfibrozil metabolites. The potential catabolic pathway/modification included ring-hydroxylation preparing the substrate for subsequent ring cleavage by a meta-cleaving enzyme. The identified genes may allow for monitoring of potential gemfibrozil-degrading organisms in situ and increase the understanding of microbial processing of trace level contaminants. This study represents the first omics study on a gemfibrozil-degrading bacterium.

Cathepsin B-sensitive polymers for compartment-specific degradation and nucleic acid release

PubMed Central

Chu, David S.H.; Johnson, Russell N.; Pun, Suzie H.

2011-01-01

Degradable cationic polymers are desirable for in vivo nucleic acid delivery because they offer significantly decreased toxicity over non-degradable counterparts. Peptide linkers provide chemical stability and high specificity for particular endopeptidases but have not been extensively studied for nucleic acid delivery applications. In this work, enzymatically degradable peptide-HPMA copolymers were synthesized by RAFT polymerization of HPMA with methacrylated peptide macromonomers, resulting in polymers with low polydispersity and near quantitative incorporation of peptides. Three peptide-HPMA copolymers were evaluated: (i) pHCathK10, containing peptides composed of the linker phe-lys-phe-leu (FKFL), a substrate of the endosomal/lysosomal endopeptidase cathepsin B, connected to oligo-(l)-lysine for nucleic acid binding, (ii) pHCath(d)K10, containing the FKFL linker with oligo-(d)-lysine, and (iii) pH(d)Cath(d)K10, containing all (d) amino acids. Cathepsin B degraded copolymers pHCathK10 and pHCath(d)K10 within one hour while no degradation of pH(d)Cath(d)K10 was observed. Polyplexes formed with pHCathK10 copolymers show DNA release by 4 hrs of treatment with cathepsin B; comparatively, polyplexes formed with pHCath(d)K10 and pH(d)Cath(d)K10 show no DNA release within 8 hrs. Transfection efficiency in HeLa and NIH/3T3 cells were comparable between the copolymers but pHCathK10 was less toxic. This work demonstrates the successful application of peptide linkers for degradable cationic polymers and DNA release. PMID:22036879

Non-Algorithmic Quantitative Problem Solving in University Physical Chemistry: A Correlation Study of the Role of Selective Cognitive Factors

ERIC Educational Resources Information Center

Tsaparlis, Georgios

2005-01-01

This work provides a correlation study of the role of the following cognitive variables on problem solving in elementary physical chemistry: scientific reasoning (level of intellectual development/developmental level), working-memory capacity, functional mental ("M") capacity, and disembedding ability (i.e., degree of perceptual field…

Degradation and recovery of iron doped barium titanate single crystals via modulus spectroscopy and thermally stimulated depolarization current

NASA Astrophysics Data System (ADS)

Carter, J. J.; Bayer, T. J. M.; Randall, C. A.

2017-04-01

Understanding resistance degradation during the application of DC bias and recovery after removing the DC bias provides insight into failure mechanisms and defects in dielectric materials. In this experiment, modulus spectroscopy and thermally stimulated depolarization current (TSDC) techniques were used to characterize the degradation and recovery of iron-doped barium titanate single crystals. Modulus spectroscopy is a very powerful analytical tool applied during degradation and recovery to observe changes in the local conductivity distribution. During degradation, oxygen vacancies migrate to the cathode region, and a counter flow of oxygen anions migrates towards the anode. With increasing time during degradation, the distribution of conductivity broadens only slightly exhibiting crucial differences to iron doped strontium titanate. After removing the DC bias, the recovery shows that a second previously unobserved and distinct conductivity maximum arises in the modulus data. This characteristic with two maxima related to different conductivities in the anode and cathode region is what can be expected from the published defect chemistry. It will be concluded that only the absence of an external electric field during recovery measurements permits the observation of local conductivity measurements without the presence of non-equilibrium conditions such as charge injection. Equilibrium conductivity as a function of oxygen vacancy concentration is described schematically. Oxygen vacancy migration during degradation and recovery is verified by TSDC analysis. We establish a self-consistent rationale of the transient changes in the modulus and TSDC for the iron doped barium titanate single crystal system including electron, hole and oxygen vacancy conductivity. During degradation, the sample fractured.

Chemistry in Context: Analysis of Thematic Chemistry Videos Available Online

ERIC Educational Resources Information Center

Christensson, Camilla; Sjöström, Jesper

2014-01-01

United Nations declared 2011 to be the International Year of Chemistry. The Swedish Chemical Society chose twelve themes, one for each month, to highlight the connection of chemistry with everyday life. Examples of themes were fashion, climate change, love, sports, communication, health issues, and food. From the themes various context-based…

Wastewater treatment using hybrid treatment schemes based on cavitation and Fenton chemistry: a review.

PubMed

Bagal, Manisha V; Gogate, Parag R

2014-01-01

Advanced oxidation processes such as cavitation and Fenton chemistry have shown considerable promise for wastewater treatment applications due to the ease of operation and simple reactor design. In this review, hybrid methods based on cavitation coupled with Fenton process for the treatment of wastewater have been discussed. The basics of individual processes (Acoustic cavitation, Hydrodynamic cavitation, Fenton chemistry) have been discussed initially highlighting the need for combined processes. The different types of reactors used for the combined processes have been discussed with some recommendations for large scale operation. The effects of important operating parameters such as solution temperature, initial pH, initial pollutant concentration and Fenton's reagent dosage have been discussed with guidelines for selection of optimum parameters. The optimization of power density is necessary for ultrasonic processes (US) and combined processes (US/Fenton) whereas the inlet pressure needs to be optimized in the case of Hydrodynamic cavitation (HC) based processes. An overview of different pollutants degraded under optimized conditions using HC/Fenton and US/Fenton process with comparison with individual processes have been presented. It has been observed that the main mechanism for the synergy of the combined process depends on the generation of additional hydroxyl radicals and its proper utilization for the degradation of the pollutant, which is strongly dependent on the loading of hydrogen peroxide. Overall, efficient wastewater treatment with high degree of energy efficiency can be achieved using combined process operating under optimized conditions, as compared to the individual process. Copyright © 2013 Elsevier B.V. All rights reserved.

Thermal degradation kinetics of all-trans and cis-carotenoids in a light-induced model system.

PubMed

Xiao, Ya-Dong; Huang, Wu-Yang; Li, Da-Jing; Song, Jiang-Feng; Liu, Chun-Quan; Wei, Qiu-Yu; Zhang, Min; Yang, Qiu-Ming

2018-01-15

Thermal degradation kinetics of lutein, zeaxanthin, β-cryptoxanthin, β-carotene was studied at 25, 35, and 45°C in a model system. Qualitative and quantitative analyses of all-trans- and cis-carotenoids were conducted using HPLC-DAD-MS technologies. Kinetic and thermodynamic parameters were calculated by non-linear regression. A total of 29 geometrical isomers and four oxidation products were detected, including all-trans-, keto compounds, mono-cis- and di-cis-isomers. Degradations of all-trans-lutein, zeaxanthin, β-cryptoxanthin, and β-carotene were described by a first-order kinetic model, with the order of rate constants as k β -carotene >k β -cryptoxanthin >k lutein >k zeaxanthin . Activation energies of zeaxanthin, lutein, β-cryptoxanthin, and β-carotene were 65.6, 38.9, 33.9, and 8.6kJ/moL, respectively. cis-carotenoids also followed with the first-order kinetic model, but they did not show a defined sequence of degradation rate constants and activation energies at different temperatures. A possible degradation pathway of four carotenoids was identified to better understand the mechanism of carotenoid degradation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Targeted polypeptide degradation

DOEpatents

Church, George M [Brookline, MA; Janse, Daniel M [Brookline, MA

2008-05-13

This invention pertains to compositions, methods, cells and organisms useful for selectively localizing polypeptides to the proteasome for degradation. Therapeutic methods and pharmaceutical compositions for treating disorders associated with the expression and/or activity of a polypeptide by targeting these polypeptides for degradation, as well as methods for targeting therapeutic polypeptides for degradation and/or activating therapeutic polypeptides by degradation are provided. The invention provides methods for identifying compounds that mediate proteasome localization and/or polypeptide degradation. The invention also provides research tools for the study of protein function.

Chemistry of americium

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

Schulz, W.W.

1976-01-01

Essential features of the descriptive chemistry of americium are reviewed. Chapter titles are: discovery, atomic and nuclear properties, collateral reading, production and uses, chemistry in aqueous solution, metal, alloys, and compounds, and, recovery, separation, purification. Author and subject indexes are included. (JCB)

National Chemistry Teacher Safety Survey

NASA Astrophysics Data System (ADS)

Plohocki, Barbra A.

This study evaluated the status of secondary school instructional chemistry laboratory safety using a survey instrument which focused on Teacher background Information, Laboratory Safety Equipment, Facility Safety, General Safety, and a Safety Content Knowledge Survey. A fifty question survey instrument based on recent research and questions developed by the researcher was mailed to 500 secondary school chemistry teachers who participated in the 1993 one-week Woodrow Wilson National Fellowship Foundation Chemistry Institute conducted at Princeton University, New Jersey. The data received from 303 respondents was analyzed by t tests and Analysis of Variance (ANOVA). The level of significance for the study was set at ~\\ <.05. There was no significant mean difference in test performance on the Safety Content Knowledge Survey and secondary school chemistry teachers who have had undergraduate and/or graduate safety training and those who have not had undergraduate and/or graduate safety training. Secondary school chemistry teachers who attended school district sponsored safety inservices did not score higher on the Safety Content Knowledge Survey than teachers who did not attend school district sponsored safety inservice sessions. The type of school district (urban, suburban, or rural) had no significant correlation to the type of laboratory safety equipment found in the instructional chemistry laboratory. The certification area (chemistry or other type of certificate which may or may not include chemistry) of the secondary school teacher had no significant correlation to the type of laboratory equipment found in the instructional chemistry laboratory. Overall, this study indicated a majority of secondary school chemistry teachers were interested in attending safety workshops applicable to chemistry safety. Throughout this research project, many teachers indicated they were not adequately instructed on the collegiate level in science safety and had to rely on common

Analytical methods for toxic gases from thermal degradation of polymers

NASA Technical Reports Server (NTRS)

Hsu, M.-T. S.

1977-01-01

Toxic gases evolved from the thermal oxidative degradation of synthetic or natural polymers in small laboratory chambers or in large scale fire tests are measured by several different analytical methods. Gas detector tubes are used for fast on-site detection of suspect toxic gases. The infrared spectroscopic method is an excellent qualitative and quantitative analysis for some toxic gases. Permanent gases such as carbon monoxide, carbon dioxide, methane and ethylene, can be quantitatively determined by gas chromatography. Highly toxic and corrosive gases such as nitrogen oxides, hydrogen cyanide, hydrogen fluoride, hydrogen chloride and sulfur dioxide should be passed into a scrubbing solution for subsequent analysis by either specific ion electrodes or spectrophotometric methods. Low-concentration toxic organic vapors can be concentrated in a cold trap and then analyzed by gas chromatography and mass spectrometry. The limitations of different methods are discussed.

An Extended View of Ozone and Chemistry in the Atmosphere of Mars

NASA Technical Reports Server (NTRS)

Smith, Ramsey L.; Fast, Kelly E.; Kostiuk, T.; Lefevre, Frank; Hewagama, Tilak; Livengood, Timothy A.

2011-01-01

We present an ongoing effort to characterize chemistry in Mars' atmosphere in multiple seasons on timescales longer than spaceflight missions through coordinated efforts by GSFC's HIPWAC spectrometer and Mars Express SPICAM, archival measurements, and tests/application of photochemical models. The trace species ozone (03) is an effective probe of Mars' atmospheric chemistry because it is destroyed by odd-hydrogen species (HOx, from water vapor photolysis). Observed ozone is a critical test for specific predictions by 3-D photochemical models (spatial, diurnal, seasonal). Coordinated measurements by HIPWAC and SPICAM quantitatively linked mission data to the 23-year GSFC ozone data record and also revealed unanticipated inter-decadal variability of same-season ozone abundances, a possible indicator of changing cloud activity (heterogeneous sink for HOx). A detailed study of long-term conditions is critical to characterizing the predictability of Mars' seasonal chemical behavior, particularly in light of the implications of and the lack of explanation for reported methane behavior.

Degradation and induction specificity in actinomycetes that degrade p-nitrophenol.

PubMed Central

Hanne, L F; Kirk, L L; Appel, S M; Narayan, A D; Bains, K K

1993-01-01

We have isolated two soil bacteria (identified as Arthrobacter aurescens TW17 and Nocardia sp. strain TW2) capable of degrading p-nitrophenol (PNP) and numerous other phenolic compounds. A. aurescens TW17 contains a large plasmid which correlated with the PNP degradation phenotype. Degradation of PNP by A. aurescens TW17 was induced by preexposure to PNP, 4-nitrocatechol, 3-methyl-4-nitrophenol, or m-nitrophenol, whereas PNP degradation by Nocardia sp. strain TW2 was induced by PNP, 4-nitrocatechol, phenol, p-cresol, or m-nitrophenol. A. aurescens TW17 initially degraded PNP to hydroquinone and nitrite. Nocardia sp. strain TW2 initially converted PNP to hydroquinone or 4-nitrocatechol, depending upon the inducing compound. PMID:8250573

Promoting Chemistry Learning through Undergraduate Work Experience in the Chemistry Lab: A Practical Approach

ERIC Educational Resources Information Center

Yu, Hong-Bin

2015-01-01

Hiring undergraduate lab assistants in chemistry departments is common in college. However, few studies have focused on promoting undergraduate chemistry learning and thinking skills through this work experience in chemistry teaching laboratories. This article discusses the strategy we implemented in the lab assistant program. The…

Organic compounds in fluid inclusions of Archean quartz-Analogues of prebiotic chemistry on early Earth.

PubMed

Schreiber, Ulrich; Mayer, Christian; Schmitz, Oliver J; Rosendahl, Pia; Bronja, Amela; Greule, Markus; Keppler, Frank; Mulder, Ines; Sattler, Tobias; Schöler, Heinz F

2017-01-01

The origin of life is still an unsolved mystery in science. Hypothetically, prebiotic chemistry and the formation of protocells may have evolved in the hydrothermal environment of tectonic fault zones in the upper continental crust, an environment where sensitive molecules are protected against degradation induced e.g. by UV radiation. The composition of fluid inclusions in minerals such as quartz crystals which have grown in this environment during the Archean period might provide important information about the first organic molecules formed by hydrothermal synthesis. Here we present evidence for organic compounds which were preserved in fluid inclusions of Archean quartz minerals from Western Australia. We found a variety of organic compounds such as alkanes, halocarbons, alcohols and aldehydes which unambiguously show that simple and even more complex prebiotic organic molecules have been formed by hydrothermal processes. Stable-isotope analysis confirms that the methane found in the inclusions has most likely been formed from abiotic sources by hydrothermal chemistry. Obviously, the liquid phase in the continental Archean crust provided an interesting choice of functional organic molecules. We conclude that organic substances such as these could have made an important contribution to prebiotic chemistry which might eventually have led to the formation of living cells.

Analysis of Enzymatic Degradation of Cellulose Microfibrils using Quantitative Surface Plasmon Resonance Imaging

NASA Astrophysics Data System (ADS)

Reiter, Kyle; Raegen, Adam; Allen, Scott; Quirk, Amanda; Clarke, Anthony; Lipkowski, Jacek; Dutcher, John

2013-03-01

Cellulose is the largest component of biomass on Earth and, as a result, is a significant potential energy source. The production of cellulosic ethanol as a fuel source requires conversion of cellulose fibers into fermentable sugars. Increasing our understanding of the action of cellulose enzymes (cellulases) on cellulose microfibrils is an important step in developing more efficient industrial processes for the production of cellulosic ethanol. We have used a custom designed Surface Plasmon Resonance imaging (SPRi) device to study the action of cellulases from the Hypocrea jecorinasecretome on bacterial cellulose microfibrils. This has allowed us to determine the rates of action and extent of degradation of cellulose microfibrils on exposure to both individual cellulases and combinations of different classes of cellulases, which has allowed us to investigate synergistic interactions between the cellulases.

Surface Plasmon Resonance Imaging of the Enzymatic Degradation of Cellulose Microfibrils

NASA Astrophysics Data System (ADS)

Reiter, Kyle; Raegen, Adam; Clarke, Anthony; Lipkowski, Jacek; Dutcher, John

2012-02-01

As the largest component of biomass on Earth, cellulose represents a significant potential energy reservoir. Enzymatic hydrolysis of cellulose into fermentable sugars, an integral step in the production of biofuel, is a challenging problem on an industrial scale. More efficient conversion processes may be developed by an increased understanding of the action of the cellulolytic enzymes involved in cellulose degradation. We have used our recently developed quantitative, angle-scanning surface plasmon resonance imaging (SPRi) device to study the degradation of cellulose microfibrils upon exposure to cellulosic enzymes. In particular, we have studied the action of individual enzymes, and combinations of enzymes, from the Hypocrea Jecorina cellulase system on heterogeneous, industrially-relevant cellulose substrates. This has allowed us to define a characteristic time of action for the enzymes for different degrees of surface coverage of the cellulose microfibrils.

Undergraduate Chemistry Laboratory

ERIC Educational Resources Information Center

Bretz, Stacey Lowery; Fay, Michael; Bruck, Laura B.; Towns, Marcy H.

2013-01-01

Forty chemistry faculty from American Chemical Society-approved departments were interviewed to determine their goals for undergraduate chemistry laboratory. Faculty were stratified by type of institution, departmental success with regard to National Science Foundation funding for laboratory reform, and level of laboratory course. Interview…

Cooking with Chemistry.

ERIC Educational Resources Information Center

Grosser, Arthur E.

1984-01-01

Suggests chemistry of cooking and analysis of culinary recipes as subject matter for introducing chemistry to an audience, especially to individuals with neutral or negative attitudes toward science. Includes sample recipes and experiments and a table listing scientific topics with related cooking examples. (JN)

Chemistry from Issues.

ERIC Educational Resources Information Center

Harding, Jan; Donaldson, Jim

1986-01-01

Describes the "Chemistry from Issues" project at Chelsea College. Provides the background information, rationale, and overall structure of a proposed course about the importance of chemistry to common culture. Outlines one module about the British steel industry that has been taught at King's College. (TW)

The quadruple bottom line: the advantages of incorporating Green Chemistry into the undergraduate chemistry major

NASA Astrophysics Data System (ADS)

Bodner, George M.

2017-08-01

When the author first became involved with the Green Chemistry movement, he noted that his colleagues in industry who were involved in one of the ACS Green Chemistry Institute® industrial roundtables emphasized the take-home message they described as the "triple bottom line." They noted that introducing Green Chemistry in industrial settings had economic, social, and environmental benefits. As someone who first went to school at age 5, and has been "going to school" most days for 65 years, it was easy for the author to see why introducing Green Chemistry into academics had similar beneficial effects within the context of economic, social and environmental domains at the college/university level. He was prepared to understand why faculty who had taught traditional courses often saw the advantage of incorporating Green Chemistry into the courses they teach. What was not as obvious is why students who were encountering chemistry for the first time were often equally passionate about the Green Chemistry movement. Recent attention has been paid, however, to a model that brings clarity to the hitherto vague term of "relevance" that might explain why integrating Green Chemistry into the undergraduate chemistry classroom can achieve a "quadruple bottom-line" for students because of potentially positive effects of adding a domain of "relevance" to the existing economic, social, and environmental domains.

A novel mechanistic modeling framework for analysis of electrode balancing and degradation modes in commercial lithium-ion cells

NASA Astrophysics Data System (ADS)

Schindler, Stefan; Danzer, Michael A.

2017-03-01

Aiming at a long-term stable and safe operation of rechargeable lithium-ion cells, elementary design aspects and degradation phenomena have to be considered depending on the specific application. Among the degrees of freedom in cell design, electrode balancing is of particular interest and has a distinct effect on useable capacity and voltage range. Concerning intrinsic degradation modes, understanding the underlying electrochemical processes and tracing the overall degradation history are the most crucial tasks. In this study, a model-based, minimal parameter framework for combined elucidation of electrode balancing and degradation pathways in commercial lithium-ion cells is introduced. The framework rests upon the simulation of full cell voltage profiles from the superposition of equivalent, artificially degraded half-cell profiles and allows to separate aging contributions from loss of available lithium and active materials in both electrodes. A physically meaningful coupling between thermodynamic and kinetic degradation modes based on the correlation between altered impedance features and loss of available lithium as well as loss of active material is proposed and validated by a low temperature degradation profile examined in one of our recent publications. The coupled framework is able to determine the electrode balancing within an error range of < 1% and the projected cell degradation is qualitatively and quantitatively in line with experimental observations.