Combined use of quantitative ED-EPMA, Raman microspectrometry, and ATR-FTIR imaging techniques for the analysis of individual particles.

PubMed

Jung, Hae-Jin; Eom, Hyo-Jin; Kang, Hyun-Woo; Moreau, Myriam; Sobanska, Sophie; Ro, Chul-Un

2014-08-21

In this work, quantitative energy-dispersive electron probe X-ray microanalysis (ED-EPMA) (called low-Z particle EPMA), Raman microspectrometry (RMS), and attenuated total reflectance Fourier transform infrared spectroscopic (ATR-FTIR) imaging were applied in combination for the analysis of the same individual airborne particles for the first time. After examining individual particles of micrometer size by low-Z particle EPMA, consecutive examinations by RMS and ATR-FTIR imaging of the same individual particles were then performed. The relocation of the same particles on Al or Ag foils was successfully carried out among the three standalone instruments for several standard samples and an indoor airborne particle sample, resulting in the successful acquisition of quality spectral data from the three single-particle analytical techniques. The combined application of the three techniques to several different standard particles confirmed that those techniques provided consistent and complementary chemical composition information on the same individual particles. Further, it was clearly demonstrated that the three different types of spectral and imaging data from the same individual particles in an indoor aerosol sample provided richer information on physicochemical characteristics of the particle ensemble than that obtainable by the combined use of two single-particle analytical techniques.

The combination of four analytical methods to explore skeletal muscle metabolomics: Better coverage of metabolic pathways or a marketing argument?

PubMed

Bruno, C; Patin, F; Bocca, C; Nadal-Desbarats, L; Bonnier, F; Reynier, P; Emond, P; Vourc'h, P; Joseph-Delafont, K; Corcia, P; Andres, C R; Blasco, H

2018-01-30

Metabolomics is an emerging science based on diverse high throughput methods that are rapidly evolving to improve metabolic coverage of biological fluids and tissues. Technical progress has led researchers to combine several analytical methods without reporting the impact on metabolic coverage of such a strategy. The objective of our study was to develop and validate several analytical techniques (mass spectrometry coupled to gas or liquid chromatography and nuclear magnetic resonance) for the metabolomic analysis of small muscle samples and evaluate the impact of combining methods for more exhaustive metabolite covering. We evaluated the muscle metabolome from the same pool of mouse muscle samples after 2 metabolite extraction protocols. Four analytical methods were used: targeted flow injection analysis coupled with mass spectrometry (FIA-MS/MS), gas chromatography coupled with mass spectrometry (GC-MS), liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS), and nuclear magnetic resonance (NMR) analysis. We evaluated the global variability of each compound i.e., analytical (from quality controls) and extraction variability (from muscle extracts). We determined the best extraction method and we reported the common and distinct metabolites identified based on the number and identity of the compounds detected with low analytical variability (variation coefficient<30%) for each method. Finally, we assessed the coverage of muscle metabolic pathways obtained. Methanol/chloroform/water and water/methanol were the best extraction solvent for muscle metabolome analysis by NMR and MS, respectively. We identified 38 metabolites by nuclear magnetic resonance, 37 by FIA-MS/MS, 18 by GC-MS, and 80 by LC-HRMS. The combination led us to identify a total of 132 metabolites with low variability partitioned into 58 metabolic pathways, such as amino acid, nitrogen, purine, and pyrimidine metabolism, and the citric acid cycle. This combination also showed that the contribution of GC-MS was low when used in combination with other mass spectrometry methods and nuclear magnetic resonance to explore muscle samples. This study reports the validation of several analytical methods, based on nuclear magnetic resonance and several mass spectrometry methods, to explore the muscle metabolome from a small amount of tissue, comparable to that obtained during a clinical trial. The combination of several techniques may be relevant for the exploration of muscle metabolism, with acceptable analytical variability and overlap between methods However, the difficult and time-consuming data pre-processing, processing, and statistical analysis steps do not justify systematically combining analytical methods. Copyright © 2017 Elsevier B.V. All rights reserved.

Chemical imaging of drug delivery systems with structured surfaces-a combined analytical approach of confocal raman microscopy and optical profilometry.

PubMed

Kann, Birthe; Windbergs, Maike

2013-04-01

Confocal Raman microscopy is an analytical technique with a steadily increasing impact in the field of pharmaceutics as the instrumental setup allows for nondestructive visualization of component distribution within drug delivery systems. Here, the attention is mainly focused on classic solid carrier systems like tablets, pellets, or extrudates. Due to the opacity of these systems, Raman analysis is restricted either to exterior surfaces or cross sections. As Raman spectra are only recorded from one focal plane at a time, the sample is usually altered to create a smooth and even surface. However, this manipulation can lead to misinterpretation of the analytical results. Here, we present a trendsetting approach to overcome these analytical pitfalls with a combination of confocal Raman microscopy and optical profilometry. By acquiring a topography profile of the sample area of interest prior to Raman spectroscopy, the profile height information allowed to level the focal plane to the sample surface for each spectrum acquisition. We first demonstrated the basic principle of this complementary approach in a case study using a tilted silica wafer. In a second step, we successfully adapted the two techniques to investigate an extrudate and a lyophilisate as two exemplary solid drug carrier systems. Component distribution analysis with the novel analytical approach was neither hampered by the curvature of the cylindrical extrudate nor the highly structured surface of the lyophilisate. Therefore, the combined analytical approach bears a great potential to be implemented in diversified fields of pharmaceutical sciences.

Introducing Chemometrics to the Analytical Curriculum: Combining Theory and Lab Experience

ERIC Educational Resources Information Center

Gilbert, Michael K.; Luttrell, Robert D.; Stout, David; Vogt, Frank

2008-01-01

Beer's law is an ideal technique that works only in certain situations. A method for dealing with more complex conditions needs to be integrated into the analytical chemistry curriculum. For that reason, the capabilities and limitations of two common chemometric algorithms, classical least squares (CLS) and principal component regression (PCR),…

Classifying Correlation Matrices into Relatively Homogeneous Subgroups: A Cluster Analytic Approach

ERIC Educational Resources Information Center

Cheung, Mike W.-L.; Chan, Wai

2005-01-01

Researchers are becoming interested in combining meta-analytic techniques and structural equation modeling to test theoretical models from a pool of studies. Most existing procedures are based on the assumption that all correlation matrices are homogeneous. Few studies have addressed what the next step should be when studies being analyzed are…

Random-Effects Models for Meta-Analytic Structural Equation Modeling: Review, Issues, and Illustrations

ERIC Educational Resources Information Center

Cheung, Mike W.-L.; Cheung, Shu Fai

2016-01-01

Meta-analytic structural equation modeling (MASEM) combines the techniques of meta-analysis and structural equation modeling for the purpose of synthesizing correlation or covariance matrices and fitting structural equation models on the pooled correlation or covariance matrix. Both fixed-effects and random-effects models can be defined in MASEM.…

Problems at the Leading Edge of Space Weathering as Revealed by TEM Combined with Surface Science Techniques

NASA Astrophysics Data System (ADS)

Christoffersen, R.; Dukes, C. A.; Keller, L. P.; Rahman, Z.; Baragiola, R. A.

2015-11-01

Analytical field-emission TEM techniques cross-correlated with surface analyses by X-ray photoelectron spectroscopy (XPS) provides a unique two-prong approach for characterizing how solar wind ion processing contributes to space weathering.

Combination of Cyclodextrin and Ionic Liquid in Analytical Chemistry: Current and Future Perspectives.

PubMed

Hui, Boon Yih; Raoov, Muggundha; Zain, Nur Nadhirah Mohamad; Mohamad, Sharifah; Osman, Hasnah

2017-09-03

The growth in driving force and popularity of cyclodextrin (CDs) and ionic liquids (ILs) as promising materials in the field of analytical chemistry has resulted in an exponentially increase of their exploitation and production in analytical chemistry field. CDs belong to the family of cyclic oligosaccharides composing of α-(1,4) linked glucopyranose subunits and possess a cage-like supramolecular structure. This structure enables chemical reactions to proceed between interacting ions, radical or molecules in the absence of covalent bonds. Conversely, ILs are an ionic fluids comprising of only cation and anion often with immeasurable vapor pressure making them as green or designer solvent. The cooperative effect between CD and IL due to their fascinating properties, have nowadays contributed their footprints for a better development in analytical chemistry nowadays. This comprehensive review serves to give an overview on some of the recent studies and provides an analytical trend for the application of CDs with the combination of ILs that possess beneficial and remarkable effects in analytical chemistry including their use in various sample preparation techniques such as solid phase extraction, magnetic solid phase extraction, cloud point extraction, microextraction, and separation techniques which includes gas chromatography, high-performance liquid chromatography, capillary electrophoresis as well as applications of electrochemical sensors as electrode modifiers with references to recent applications. This review will highlight the nature of interactions and synergic effects between CDs, ILs, and analytes. It is hoped that this review will stimulate further research in analytical chemistry.

Analysis of polymeric phenolics in red wines using different techniques combined with gel permeation chromatography fractionation.

PubMed

Guadalupe, Zenaida; Soldevilla, Alberto; Sáenz-Navajas, María-Pilar; Ayestarán, Belén

2006-04-21

A multiple-step analytical method was developed to improve the analysis of polymeric phenolics in red wines. With a common initial step based on the fractionation of wine phenolics by gel permeation chromatography (GPC), different analytical techniques were used: high-performance liquid chromatography-diode array detection (HPLC-DAD), HPLC-mass spectrometry (MS), capillary zone electrophoresis (CZE) and spectrophotometry. This method proved to be valid for analyzing different families of phenolic compounds, such as monomeric phenolics and their derivatives, polymeric pigments and proanthocyanidins. The analytical characteristics of fractionation by GPC were studied and the method was fully validated, yielding satisfactory statistical results. GPC fractionation substantially improved the analysis of polymeric pigments by CZE, in terms of response, repeatability and reproducibility. It also represented an improvement in the traditional vanillin assay used for proanthocyanidin (PA) quantification. Astringent proanthocyanidins were also analyzed using a simple combined method that allowed these compounds, for which only general indexes were available, to be quantified.

Review of methods used for identification of biothreat agents in environmental protection and human health aspects.

PubMed

Mirski, Tomasz; Bartoszcze, Michał; Bielawska-Drózd, Agata; Cieślik, Piotr; Michalski, Aleksander J; Niemcewicz, Marcin; Kocik, Janusz; Chomiczewski, Krzysztof

2014-01-01

Modern threats of bioterrorism force the need to develop methods for rapid and accurate identification of dangerous biological agents. Currently, there are many types of methods used in this field of studies that are based on immunological or genetic techniques, or constitute a combination of both methods (immuno-genetic). There are also methods that have been developed on the basis of physical and chemical properties of the analytes. Each group of these analytical assays can be further divided into conventional methods (e.g. simple antigen-antibody reactions, classical PCR, real-time PCR), and modern technologies (e.g. microarray technology, aptamers, phosphors, etc.). Nanodiagnostics constitute another group of methods that utilize the objects at a nanoscale (below 100 nm). There are also integrated and automated diagnostic systems, which combine different methods and allow simultaneous sampling, extraction of genetic material and detection and identification of the analyte using genetic, as well as immunological techniques.

Shedding light on food fraud: spectrophotometric and spectroscopic methods as a tool against economically motivated adulteration of food

NASA Astrophysics Data System (ADS)

Petronijević, R. B.; Velebit, B.; Baltić, T.

2017-09-01

Intentional modification of food or substitution of food ingredients with the aim of gaining profit is food fraud or economically motivated adulteration (EMA). EMA appeared in the food supply chain, and following the global expansion of the food market, has become a world-scale problem for the global economy. Food frauds have involved oils, milk and meat products, infant formula, honey, juices, spices, etc. New legislation was enacted in the last decade in order to fight EMA. Effective analytical methods for food fraud detection are few and still in development. The majority of the methods in common use today for EMA detection are time consuming and inappropriate for use on the production line or out of the laboratory. The next step in the evolution of analytical techniques to combat food fraud is development of fast, accurate methods applicable using portable or handheld devices. Spectrophotometric and spectroscopic methods combined with chemometric analysis, and perhaps in combination with other rapid physico-chemical techniques, could be the answer. This review discusses some analytical techniques based on spectrophotometry and spectroscopy, which are used to reveal food fraud and EMA.

Influence of cross section variations on the structural behaviour of composite rotor blades

NASA Astrophysics Data System (ADS)

Rapp, Helmut; Woerndle, Rudolf

1991-09-01

A highly sophisticated structural analysis is required for helicopter rotor blades with nonhomogeneous cross sections made from nonisotropic material. Combinations of suitable analytical techniques with FEM-based techniques permit a cost effective and sufficiently accurate analysis of these complicated structures. It is determined that in general the 1D engineering theory of bending combined with 2D theories for determining the cross section properties is sufficient to describe the structural blade behavior.

Advances in simultaneous DSC-FTIR microspectroscopy for rapid solid-state chemical stability studies: some dipeptide drugs as examples.

PubMed

Lin, Shan-Yang; Wang, Shun-Li

2012-04-01

The solid-state chemistry of drugs has seen growing importance in the pharmaceutical industry for the development of useful API (active pharmaceutical ingredients) of drugs and stable dosage forms. The stability of drugs in various solid dosage forms is an important issue because solid dosage forms are the most common pharmaceutical formulation in clinical use. In solid-state stability studies of drugs, an ideal accelerated method must not only be selected by different complicated methods, but must also detect the formation of degraded product. In this review article, an analytical technique combining differential scanning calorimetry and Fourier-transform infrared (DSC-FTIR) microspectroscopy simulates the accelerated stability test, and simultaneously detects the decomposed products in real time. The pharmaceutical dipeptides aspartame hemihydrate, lisinopril dihydrate, and enalapril maleate either with or without Eudragit E were used as testing examples. This one-step simultaneous DSC-FTIR technique for real-time detection of diketopiperazine (DKP) directly evidenced the dehydration process and DKP formation as an impurity common in pharmaceutical dipeptides. DKP formation in various dipeptides determined by different analytical methods had been collected and compiled. Although many analytical methods have been applied, the combined DSC-FTIR technique is an easy and fast analytical method which not only can simulate the accelerated drug stability testing but also at the same time enable to explore phase transformation as well as degradation due to thermal-related reactions. This technique offers quick and proper interpretations. Copyright © 2012 Elsevier B.V. All rights reserved.

Analytic and subjective assessments of operator workload imposed by communications tasks in transport aircraft

NASA Technical Reports Server (NTRS)

Eckel, J. S.; Crabtree, M. S.

1984-01-01

Analytical and subjective techniques that are sensitive to the information transmission and processing requirements of individual communications-related tasks are used to assess workload imposed on the aircrew by A-10 communications requirements for civilian transport category aircraft. Communications-related tasks are defined to consist of the verbal exchanges between crews and controllers. Three workload estimating techniques are proposed. The first, an information theoretic analysis, is used to calculate bit values for perceptual, manual, and verbal demands in each communication task. The second, a paired-comparisons technique, obtains subjective estimates of the information processing and memory requirements for specific messages. By combining the results of the first two techniques, a hybrid analytical scale is created. The third, a subjective rank ordering of sequences of communications tasks, provides an overall scaling of communications workload. Recommendations for future research include an examination of communications-induced workload among the air crew and the development of simulation scenarios.

Three-Dimensional Dynamic Deformation Measurements Using Stereoscopic Imaging and Digital Speckle Photography

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

Prentice, H. J.; Proud, W. G.

2006-07-28

A technique has been developed to determine experimentally the three-dimensional displacement field on the rear surface of a dynamically deforming plate. The technique combines speckle analysis with stereoscopy, using a modified angular-lens method: this incorporates split-frame photography and a simple method by which the effective lens separation can be adjusted and calibrated in situ. Whilst several analytical models exist to predict deformation in extended or semi-infinite targets, the non-trivial nature of the wave interactions complicates the generation and development of analytical models for targets of finite depth. By interrogating specimens experimentally to acquire three-dimensional strain data points, both analytical andmore » numerical model predictions can be verified more rigorously. The technique is applied to the quasi-static deformation of a rubber sheet and dynamically to Mild Steel sheets of various thicknesses.« less

Electromigrative separation techniques in forensic science: combining selectivity, sensitivity, and robustness.

PubMed

Posch, Tjorben Nils; Pütz, Michael; Martin, Nathalie; Huhn, Carolin

2015-01-01

In this review we introduce the advantages and limitations of electromigrative separation techniques in forensic toxicology. We thus present a summary of illustrative studies and our own experience in the field together with established methods from the German Federal Criminal Police Office rather than a complete survey. We focus on the analytical aspects of analytes' physicochemical characteristics (e.g. polarity, stereoisomers) and analytical challenges including matrix tolerance, separation from compounds present in large excess, sample volumes, and orthogonality. For these aspects we want to reveal the specific advantages over more traditional methods. Both detailed studies and profiling and screening studies are taken into account. Care was taken to nearly exclusively document well-validated methods outstanding for the analytical challenge discussed. Special attention was paid to aspects exclusive to electromigrative separation techniques, including the use of the mobility axis, the potential for on-site instrumentation, and the capillary format for immunoassays. The review concludes with an introductory guide to method development for different separation modes, presenting typical buffer systems as starting points for different analyte classes. The objective of this review is to provide an orientation for users in separation science considering using capillary electrophoresis in their laboratory in the future.

Synchrotron X-ray Analytical Techniques for Studying Materials Electrochemistry in Rechargeable Batteries

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

Lin, Feng; Liu, Yijin; Yu, Xiqian

Rechargeable battery technologies have ignited major breakthroughs in contemporary society, including but not limited to revolutions in transportation, electronics, and grid energy storage. The remarkable development of rechargeable batteries is largely attributed to in-depth efforts to improve battery electrode and electrolyte materials. There are, however, still intimidating challenges of lower cost, longer cycle and calendar life, higher energy density, and better safety for large scale energy storage and vehicular applications. Further progress with rechargeable batteries may require new chemistries (lithium ion batteries and beyond) and better understanding of materials electrochemistry in the various battery technologies. In the past decade, advancementmore » of battery materials has been complemented by new analytical techniques that are capable of probing battery chemistries at various length and time scales. Synchrotron X-ray techniques stand out as one of the most effective methods that allows for nearly nondestructive probing of materials characteristics such as electronic and geometric structures with various depth sensitivities through spectroscopy, scattering, and imaging capabilities. This article begins with the discussion of various rechargeable batteries and associated important scientific questions in the field, followed by a review of synchrotron X-ray based analytical tools (scattering, spectroscopy and imaging) and their successful applications (ex situ, in situ, and in operando) in gaining fundamental insights into these scientific questions. Furthermore, electron microscopy and spectroscopy complement the detection length scales of synchrotron X-ray tools, and are also discussed towards the end. We highlight the importance of studying battery materials by combining analytical techniques with complementary length sensitivities, such as the combination of X-ray absorption spectroscopy and electron spectroscopy with spatial resolution, because a sole technique may lead to biased and inaccurate conclusions. We then discuss the current progress of experimental design for synchrotron experiments and methods to mitigate beam effects. Finally, a perspective is provided to elaborate how synchrotron techniques can impact the development of next-generation battery chemistries.« less

Synchrotron X-ray Analytical Techniques for Studying Materials Electrochemistry in Rechargeable Batteries

DOE PAGES

Lin, Feng; Liu, Yijin; Yu, Xiqian; ...

2017-08-30

Rechargeable battery technologies have ignited major breakthroughs in contemporary society, including but not limited to revolutions in transportation, electronics, and grid energy storage. The remarkable development of rechargeable batteries is largely attributed to in-depth efforts to improve battery electrode and electrolyte materials. There are, however, still intimidating challenges of lower cost, longer cycle and calendar life, higher energy density, and better safety for large scale energy storage and vehicular applications. Further progress with rechargeable batteries may require new chemistries (lithium ion batteries and beyond) and better understanding of materials electrochemistry in the various battery technologies. In the past decade, advancementmore » of battery materials has been complemented by new analytical techniques that are capable of probing battery chemistries at various length and time scales. Synchrotron X-ray techniques stand out as one of the most effective methods that allows for nearly nondestructive probing of materials characteristics such as electronic and geometric structures with various depth sensitivities through spectroscopy, scattering, and imaging capabilities. This article begins with the discussion of various rechargeable batteries and associated important scientific questions in the field, followed by a review of synchrotron X-ray based analytical tools (scattering, spectroscopy and imaging) and their successful applications (ex situ, in situ, and in operando) in gaining fundamental insights into these scientific questions. Furthermore, electron microscopy and spectroscopy complement the detection length scales of synchrotron X-ray tools, and are also discussed towards the end. We highlight the importance of studying battery materials by combining analytical techniques with complementary length sensitivities, such as the combination of X-ray absorption spectroscopy and electron spectroscopy with spatial resolution, because a sole technique may lead to biased and inaccurate conclusions. We then discuss the current progress of experimental design for synchrotron experiments and methods to mitigate beam effects. Finally, a perspective is provided to elaborate how synchrotron techniques can impact the development of next-generation battery chemistries.« less

Synchrotron based mass spectrometry to investigate the molecular properties of mineral-organic associations

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

Liu, Suet Yi; Kleber, Markus; Takahashi, Lynelle K.

2013-04-01

Soil organic matter (OM) is important because its decay drives life processes in the biosphere. Analysis of organic compounds in geological systems is difficult because of their intimate association with mineral surfaces. To date there is no procedure capable of quantitatively separating organic from mineral phases without creating artifacts or mass loss. Therefore, analytical techniques that can (a) generate information about both organic and mineral phases simultaneously and (b) allow the examination of predetermined high-interest regions of the sample as opposed to conventional bulk analytical techniques are valuable. Laser Desorption Synchrotron Postionization (synchrotron-LDPI) mass spectrometry is introduced as a novelmore » analytical tool to characterize the molecular properties of organic compounds in mineral-organic samples from terrestrial systems, and it is demonstrated that when combined with Secondary Ion Mass Spectrometry (SIMS), can provide complementary information on mineral composition. Mass spectrometry along a decomposition gradient in density fractions, verifies the consistency of our results with bulk analytical techniques. We further demonstrate that by changing laser and photoionization energies, variations in molecular stability of organic compounds associated with mineral surfaces can be determined. The combination of synchrotron-LDPI and SIMS shows that the energetic conditions involved in desorption and ionization of organic matter may be a greater determinant of mass spectral signatures than the inherent molecular structure of the organic compounds investigated. The latter has implications for molecular models of natural organic matter that are based on mass spectrometric information.« less

Analytical techniques for characterization of cyclodextrin complexes in the solid state: A review.

PubMed

Mura, Paola

2015-09-10

Cyclodextrins are cyclic oligosaccharides able to form inclusion complexes with a variety of hydrophobic guest molecules, positively modifying their physicochemical properties. A thorough analytical characterization of cyclodextrin complexes is of fundamental importance to provide an adequate support in selection of the most suitable cyclodextrin for each guest molecule, and also in view of possible future patenting and marketing of drug-cyclodextrin formulations. The demonstration of the actual formation of a drug-cyclodextrin inclusion complex in solution does not guarantee its existence also in the solid state. Moreover, the technique used to prepare the solid complex can strongly influence the properties of the final product. Therefore, an appropriate characterization of the drug-cyclodextrin solid systems obtained has also a key role in driving in the choice of the most effective preparation method, able to maximize host-guest interactions. The analytical characterization of drug-cyclodextrin solid systems and the assessment of the actual inclusion complex formation is not a simple task and involves the combined use of several analytical techniques, whose results have to be evaluated together. The objective of the present review is to present a general prospect of the principal analytical techniques which can be employed for a suitable characterization of drug-cyclodextrin systems in the solid state, evidencing their respective potential advantages and limits. The applications of each examined technique are described and discussed by pertinent examples from literature. Copyright © 2015 Elsevier B.V. All rights reserved.

Modern analytical methods for the detection of food fraud and adulteration by food category.

PubMed

Hong, Eunyoung; Lee, Sang Yoo; Jeong, Jae Yun; Park, Jung Min; Kim, Byung Hee; Kwon, Kisung; Chun, Hyang Sook

2017-09-01

This review provides current information on the analytical methods used to identify food adulteration in the six most adulterated food categories: animal origin and seafood, oils and fats, beverages, spices and sweet foods (e.g. honey), grain-based food, and others (organic food and dietary supplements). The analytical techniques (both conventional and emerging) used to identify adulteration in these six food categories involve sensory, physicochemical, DNA-based, chromatographic and spectroscopic methods, and have been combined with chemometrics, making these techniques more convenient and effective for the analysis of a broad variety of food products. Despite recent advances, the need remains for suitably sensitive and widely applicable methodologies that encompass all the various aspects of food adulteration. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Energy distributions and radiation transport in uranium plasmas

NASA Technical Reports Server (NTRS)

Miley, G. H.; Bathke, C.; Maceda, E.; Choi, C.

1976-01-01

An approximate analytic model, based on continuous electron slowing, has been used for survey calculations. Where more accuracy is required, a Monte Carlo technique is used which combines an analytic representation of Coulombic collisions with a random walk treatment of inelastic collisions. The calculated electron distributions have been incorporated into another code that evaluates both the excited atomic state densities within the plasma and the radiative flux emitted from the plasma.

Simultaneous grouping and ranking with combination of SOM and TOPSIS for selection of preferable analytical procedure for furan determination in food.

PubMed

Jędrkiewicz, Renata; Tsakovski, Stefan; Lavenu, Aurore; Namieśnik, Jacek; Tobiszewski, Marek

2018-02-01

Novel methodology for grouping and ranking with application of self-organizing maps and multicriteria decision analysis is presented. The dataset consists of 22 objects that are analytical procedures applied to furan determination in food samples. They are described by 10 variables, referred to their analytical performance, environmental and economic aspects. Multivariate statistics analysis allows to limit the amount of input data for ranking analysis. Assessment results show that the most beneficial procedures are based on microextraction techniques with GC-MS final determination. It is presented how the information obtained from both tools complement each other. The applicability of combination of grouping and ranking is also discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

Big data analytics to aid developing livable communities.

DOT National Transportation Integrated Search

2015-12-31

In transportation, ubiquitous deployment of low-cost sensors combined with powerful : computer hardware and high-speed network makes big data available. USDOT defines big : data research in transportation as a number of advanced techniques applied to...

Phenalenone-type phytoalexins mediate resistance of banana plants (Musa spp.) to the burrowing nematode Radopholus similis.

PubMed

Hölscher, Dirk; Dhakshinamoorthy, Suganthagunthalam; Alexandrov, Theodore; Becker, Michael; Bretschneider, Tom; Buerkert, Andreas; Crecelius, Anna C; De Waele, Dirk; Elsen, Annemie; Heckel, David G; Heklau, Heike; Hertweck, Christian; Kai, Marco; Knop, Katrin; Krafft, Christoph; Maddula, Ravi K; Matthäus, Christian; Popp, Jürgen; Schneider, Bernd; Schubert, Ulrich S; Sikora, Richard A; Svatoš, Aleš; Swennen, Rony L

2014-01-07

The global yield of bananas-one of the most important food crops-is severely hampered by parasites, such as nematodes, which cause yield losses up to 75%. Plant-nematode interactions of two banana cultivars differing in susceptibility to Radopholus similis were investigated by combining the conventional and spatially resolved analytical techniques (1)H NMR spectroscopy, matrix-free UV-laser desorption/ionization mass spectrometric imaging, and Raman microspectroscopy. This innovative combination of analytical techniques was applied to isolate, identify, and locate the banana-specific type of phytoalexins, phenylphenalenones, in the R. similis-caused lesions of the plants. The striking antinematode activity of the phenylphenalenone anigorufone, its ingestion by the nematode, and its subsequent localization in lipid droplets within the nematode is reported. The importance of varying local concentrations of these specialized metabolites in infected plant tissues, their involvement in the plant's defense system, and derived strategies for improving banana resistance are highlighted.

Quantitative Detection of Pharmaceuticals Using a Combination of Paper Microfluidics and Wavelength Modulated Raman Spectroscopy

PubMed Central

Craig, Derek; Mazilu, Michael; Dholakia, Kishan

2015-01-01

Raman spectroscopy has proven to be an indispensable technique for the identification of various types of analytes due to the fingerprint vibration spectrum obtained. Paper microfluidics has also emerged as a low cost, easy to fabricate and portable approach for point of care testing. However, due to inherent background fluorescence, combining Raman spectroscopy with paper microfluidics is to date an unmet challenge in the absence of using surface enhanced mechanisms. We describe the first use of wavelength modulated Raman spectroscopy (WMRS) for analysis on a paper microfluidics platform. This study demonstrates the ability to suppress the background fluorescence of the paper using WMRS and the subsequent implementation of this technique for pharmaceutical analysis. The results of this study demonstrate that it is possible to discriminate between both paracetamol and ibuprofen, whilst, also being able to detect the presence of each analyte quantitatively at nanomolar concentrations. PMID:25938464

Classification of smoke tainted wines using mid-infrared spectroscopy and chemometrics.

PubMed

Fudge, Anthea L; Wilkinson, Kerry L; Ristic, Renata; Cozzolino, Daniel

2012-01-11

In this study, the suitability of mid-infrared (MIR) spectroscopy, combined with principal component analysis (PCA) and linear discriminant analysis (LDA), was evaluated as a rapid analytical technique to identify smoke tainted wines. Control (i.e., unsmoked) and smoke-affected wines (260 in total) from experimental and commercial sources were analyzed by MIR spectroscopy and chemometrics. The concentrations of guaiacol and 4-methylguaiacol were also determined using gas chromatography-mass spectrometry (GC-MS), as markers of smoke taint. LDA models correctly classified 61% of control wines and 70% of smoke-affected wines. Classification rates were found to be influenced by the extent of smoke taint (based on GC-MS and informal sensory assessment), as well as qualitative differences in wine composition due to grape variety and oak maturation. Overall, the potential application of MIR spectroscopy combined with chemometrics as a rapid analytical technique for screening smoke-affected wines was demonstrated.

ULTRASONIC STUDIES OF THE FUNDAMENTAL MECHANISMS OF RECRYSTALLIZATION AND SINTERING OF METALS

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

TURNER, JOSEPH A.

2005-11-30

The purpose of this project was to develop a fundamental understanding of the interaction of an ultrasonic wave with complex media, with specific emphases on recrystallization and sintering of metals. A combined analytical, numerical, and experimental research program was implemented. Theoretical models of elastic wave propagation through these complex materials were developed using stochastic wave field techniques. The numerical simulations focused on finite element wave propagation solutions through complex media. The experimental efforts were focused on corroboration of the models developed and on the development of new experimental techniques. The analytical and numerical research allows the experimental results to bemore » interpreted quantitatively.« less

Single-particle mineralogy of Chinese soil particles by the combined use of low-Z particle electron probe X-ray microanalysis and attenuated total reflectance-FT-IR imaging techniques.

PubMed

Malek, Md Abdul; Kim, Bowha; Jung, Hae-Jin; Song, Young-Chul; Ro, Chul-Un

2011-10-15

Our previous work on the speciation of individual mineral particles of micrometer size by the combined use of attenuated total reflectance FT-IR (ATR-FT-IR) imaging and a quantitative energy-dispersive electron probe X-ray microanalysis technique (EPMA), low-Z particle EPMA, demonstrated that the combined use of these two techniques is a powerful approach for looking at the single-particle mineralogy of externally heterogeneous minerals. In this work, this analytical methodology was applied to characterize six soil samples collected at arid areas in China, in order to identify mineral types present in the samples. The six soil samples were collected from two types of soil, i.e., loess and desert soils, for which overall 665 particles were analyzed on a single particle basis. The six soil samples have different mineralogical characteristics, which were clearly differentiated in this work. As this analytical methodology provides complementary information, the ATR-FT-IR imaging on mineral types, and low-Z particle EPMA on the morphology and elemental concentrations, on the same individual particles, more detailed information can be obtained using this approach than when either low-Z particle EPMA or ATR-FT-IR imaging techniques are used alone, which has a great potential for the characterization of Asian dust and mineral dust particles. © 2011 American Chemical Society

Net analyte signal standard addition method (NASSAM) as a novel spectrofluorimetric and spectrophotometric technique for simultaneous determination, application to assay of melatonin and pyridoxine

NASA Astrophysics Data System (ADS)

Asadpour-Zeynali, Karim; Bastami, Mohammad

2010-02-01

In this work a new modification of the standard addition method called "net analyte signal standard addition method (NASSAM)" is presented for the simultaneous spectrofluorimetric and spectrophotometric analysis. The proposed method combines the advantages of standard addition method with those of net analyte signal concept. The method can be applied for the determination of analyte in the presence of known interferents. The accuracy of the predictions against H-point standard addition method is not dependent on the shape of the analyte and interferent spectra. The method was successfully applied to simultaneous spectrofluorimetric and spectrophotometric determination of pyridoxine (PY) and melatonin (MT) in synthetic mixtures and in a pharmaceutical formulation.

Measurement and Modelling: Sequential Use of Analytical Techniques in a Study of Risk-Taking in Decision-Making by School Principals

ERIC Educational Resources Information Center

Trimmer, Karen

2016-01-01

This paper investigates reasoned risk-taking in decision-making by school principals using a methodology that combines sequential use of psychometric and traditional measurement techniques. Risk-taking is defined as when decisions are made that are not compliant with the regulatory framework, the primary governance mechanism for public schools in…

Mapping ecological risks with a portfolio-based technique: incorporating uncertainty and decision-making preferences

Treesearch

Denys Yemshanov; Frank H. Koch; Mark Ducey; Klaus Koehler

2013-01-01

Geographic mapping of risks is a useful analytical step in ecological risk assessments and in particular, in analyses aimed to estimate risks associated with introductions of invasive organisms. In this paper, we approach invasive species risk mapping as a portfolio allocation problem and apply techniques from decision theory to build an invasion risk map that combines...

Determination of finasteride and its metabolite in urine by dispersive liquid-liquid microextraction combined with field-enhanced sample stacking and sweeping.

PubMed

Chen, Chun-Hsien; Chao, Yu-Ying; Lin, Yi-Hui; Chen, Yen-Ling

2018-04-27

The on-line preconcentration technique of field-enhanced sample stacking and sweeping (FESS-sweeping) are combined with dispersive liquid-liquid microextraction (DLLME) to monitor the concentrations of finasteride, which is used in the treatment of androgenetic alopecia, and its metabolite, finasteride carboxylic acid (M3), in urine samples. DLLME is used to concentrate and eliminate the interferences of urine samples and uses chloroform as an extracting solvent and acetonitrile as a disperser solvent. A high conductivity buffer (HCB) was introduced into capillary and then sample plug (90.7% capillary length) was injected into capillary. After applying voltage, the sodium dodecyl sulfate (SDS) swept the analytes from the low conductivity sample solution into HCB. The analytes were concentrated on the field-enhanced sample stacking boundary. The limit of detection for the analytes is 20 ng mL -1 . The sensitivity enrichment of finasteride and M3 are 362-fold and 480-fold, respectively, compared with the conventional MEKC method. The on-line preconcentration technique of field-enhanced sample stacking and sweeping possess good selectivity because the endogenous steroid did not interfere the detection of finasteride and M3. The analytical technique is applied to investigate the concentrations in urine samples from patients who have been administered finasteride for the treatment of androgenetic alopecia; the amount of M3 detected in 12 h was 72.69 ± 4.18 μg. Copyright © 2018 Elsevier B.V. All rights reserved.

Research Data Alliance: Understanding Big Data Analytics Applications in Earth Science

NASA Astrophysics Data System (ADS)

Riedel, Morris; Ramachandran, Rahul; Baumann, Peter

2014-05-01

The Research Data Alliance (RDA) enables data to be shared across barriers through focused working groups and interest groups, formed of experts from around the world - from academia, industry and government. Its Big Data Analytics (BDA) interest groups seeks to develop community based recommendations on feasible data analytics approaches to address scientific community needs of utilizing large quantities of data. BDA seeks to analyze different scientific domain applications (e.g. earth science use cases) and their potential use of various big data analytics techniques. These techniques reach from hardware deployment models up to various different algorithms (e.g. machine learning algorithms such as support vector machines for classification). A systematic classification of feasible combinations of analysis algorithms, analytical tools, data and resource characteristics and scientific queries will be covered in these recommendations. This contribution will outline initial parts of such a classification and recommendations in the specific context of the field of Earth Sciences. Given lessons learned and experiences are based on a survey of use cases and also providing insights in a few use cases in detail.

Research Data Alliance: Understanding Big Data Analytics Applications in Earth Science

NASA Technical Reports Server (NTRS)

Riedel, Morris; Ramachandran, Rahul; Baumann, Peter

2014-01-01

The Research Data Alliance (RDA) enables data to be shared across barriers through focused working groups and interest groups, formed of experts from around the world - from academia, industry and government. Its Big Data Analytics (BDA) interest groups seeks to develop community based recommendations on feasible data analytics approaches to address scientific community needs of utilizing large quantities of data. BDA seeks to analyze different scientific domain applications (e.g. earth science use cases) and their potential use of various big data analytics techniques. These techniques reach from hardware deployment models up to various different algorithms (e.g. machine learning algorithms such as support vector machines for classification). A systematic classification of feasible combinations of analysis algorithms, analytical tools, data and resource characteristics and scientific queries will be covered in these recommendations. This contribution will outline initial parts of such a classification and recommendations in the specific context of the field of Earth Sciences. Given lessons learned and experiences are based on a survey of use cases and also providing insights in a few use cases in detail.

A microstructural lattice model for strain oriented problems: A combined Monte Carlo finite element technique

NASA Technical Reports Server (NTRS)

Gayda, J.; Srolovitz, D. J.

1987-01-01

A specialized, microstructural lattice model, termed MCFET for combined Monte Carlo Finite Element Technique, was developed which simulates microstructural evolution in material systems where modulated phases occur and the directionality of the modulation is influenced by internal and external stresses. In this approach, the microstructure is discretized onto a fine lattice. Each element in the lattice is labelled in accordance with its microstructural identity. Diffusion of material at elevated temperatures is simulated by allowing exchanges of neighboring elements if the exchange lowers the total energy of the system. A Monte Carlo approach is used to select the exchange site while the change in energy associated with stress fields is computed using a finite element technique. The MCFET analysis was validated by comparing this approach with a closed form, analytical method for stress assisted, shape changes of a single particle in an infinite matrix. Sample MCFET analytical for multiparticle problems were also run and in general the resulting microstructural changes associated with the application of an external stress are similar to that observed in Ni-Al-Cr alloys at elevated temperature.

An analytical technique for approximating unsteady aerodynamics in the time domain

NASA Technical Reports Server (NTRS)

Dunn, H. J.

1980-01-01

An analytical technique is presented for approximating unsteady aerodynamic forces in the time domain. The order of elements of a matrix Pade approximation was postulated, and the resulting polynomial coefficients were determined through a combination of least squares estimates for the numerator coefficients and a constrained gradient search for the denominator coefficients which insures stable approximating functions. The number of differential equations required to represent the aerodynamic forces to a given accuracy tends to be smaller than that employed in certain existing techniques where the denominator coefficients are chosen a priori. Results are shown for an aeroelastic, cantilevered, semispan wing which indicate a good fit to the aerodynamic forces for oscillatory motion can be achieved with a matrix Pade approximation having fourth order numerator and second order denominator polynomials.

Individual human cell responses to low doses of chemicals studied by synchrotron infrared spectromicroscopy

NASA Astrophysics Data System (ADS)

Holman, Hoi-Ying N.; Goth-Goldstein, Regine; Blakely, Elanor A.; Bjornstad, Kathy; Martin, Michael C.; McKinney, Wayne R.

2000-05-01

Vibrational spectroscopy, when combined with synchrotron radiation-based (SR) microscopy, is a powerful new analytical tool with high spatial resolution for detecting biochemical changes in the individual living cells. In contrast to other microscopy methods that require fixing, drying, staining or labeling, SR-FTIR microscopy probes intact living cells providing a composite view of all of the molecular response and the ability to monitor the response over time in the same cell. Observed spectral changes include all types of lesions induced in that cell as well as cellular responses to external and internal stresses. These spectral changes combined with other analytical tools may provide a fundamental understanding of the key molecular mechanisms induced in response to stresses created by low- doses of chemicals. In this study we used the high spatial - resolution SR-FTIR vibrational spectromicroscopy as a sensitive analytical tool to detect chemical- and radiation- induced changes in individual human cells. Our preliminary spectral measurements indicate that this technique is sensitive enough to detect changes in nucleic acids and proteins of cells treated with environmentally relevant concentrations of dioxin. This technique has the potential to distinguish changes from exogenous or endogenous oxidative processes. Future development of this technique will allow rapid monitoring of cellular processes such as drug metabolism, early detection of disease, bio- compatibility of implant materials, cellular repair mechanisms, self assembly of cellular apparatus, cell differentiation and fetal development.

Position Paper: Applying Machine Learning to Software Analysis to Achieve Trusted, Repeatable Scientific Computing

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

Prowell, Stacy J; Symons, Christopher T

2015-01-01

Producing trusted results from high-performance codes is essential for policy and has significant economic impact. We propose combining rigorous analytical methods with machine learning techniques to achieve the goal of repeatable, trustworthy scientific computing.

Recent advancements in nanoelectrodes and nanopipettes used in combined scanning electrochemical microscopy techniques.

PubMed

Kranz, Christine

2014-01-21

In recent years, major developments in scanning electrochemical microscopy (SECM) have significantly broadened the application range of this electroanalytical technique from high-resolution electrochemical imaging via nanoscale probes to large scale mapping using arrays of microelectrodes. A major driving force in advancing the SECM methodology is based on developing more sophisticated probes beyond conventional micro-disc electrodes usually based on noble metals or carbon microwires. This critical review focuses on the design and development of advanced electrochemical probes particularly enabling combinations of SECM with other analytical measurement techniques to provide information beyond exclusively measuring electrochemical sample properties. Consequently, this critical review will focus on recent progress and new developments towards multifunctional imaging.

Applications of derivatization reactions to trace organic compounds during sample preparation based on pressurized liquid extraction.

PubMed

Carro, Antonia M; González, Paula; Lorenzo, Rosa A

2013-06-28

Pressurized liquid extraction (PLE) is an exhaustive technique used for the extraction of analytes from solid samples. Temperature, pressure, solvent type and volume, and the addition of other reagents notably influence the efficiency of the extraction. The analytical applications of this technique can be improved by coupling with appropriate derivatization reactions. The aim of this review is to discuss the recent applications of the sequential combination of PLE with derivatization and the approaches that involve simultaneous extraction and in situ derivatization. The potential of the latest developments to the trace analysis of environmental, food and biological samples is also analyzed. Copyright © 2013 Elsevier B.V. All rights reserved.

S.S. Annunziata Church (L'Aquila, Italy) unveiled by non- and micro-destructive testing techniques

NASA Astrophysics Data System (ADS)

Sfarra, Stefano; Cheilakou, Eleni; Theodorakeas, Panagiotis; Paoletti, Domenica; Koui, Maria

2017-03-01

The present research work explores the potential of an integrated inspection methodology, combining Non-destructive testing and micro-destructive analytical techniques, for both the structural assessment of the S.S. Annunziata Church located in Roio Colle (L'Aquila, Italy) and the characterization of its wall paintings' pigments. The study started by applying passive thermal imaging for the structural monitoring of the church before and after the application of a consolidation treatment, while active thermal imaging was further used for assessing this consolidation procedure. After the earthquake of 2009, which seriously damaged the city of L'Aquila and its surroundings, part of the internal plaster fell off revealing the presence of an ancient mural painting that was subsequently investigated by means of a combined analytical approach involving portable VIS-NIR fiber optics diffuse reflectance spectroscopy (FORS) and laboratory methods, such as environmental scanning electron microscopy (ESEM) coupled with energy dispersive X-ray analysis (EDX), and attenuated total reflectance-fourier transform infrared spectroscopy (ATR-FTIR). The results obtained from the thermographic analysis provided information concerning the two different constrictive phases of the Church, enabled the assessment of the consolidation treatment, and contributed to the detection of localized problems mainly related to the rising damp phenomenon and to biological attack. In addition, the results obtained from the combined analytical approach allowed the identification of the wall painting pigments (red and yellow ochre, green earth, and smalt) and provided information on the binding media and the painting technique possibly applied by the artist. From the results of the present study, it is possible to conclude that the joint use of the above stated methods into an integrated methodology can produce the complete set of useful information required for the planning of the Church's restoration phase.

Two-dimensional correlation spectroscopy in polymer study

PubMed Central

Park, Yeonju; Noda, Isao; Jung, Young Mee

2015-01-01

This review outlines the recent works of two-dimensional correlation spectroscopy (2DCOS) in polymer study. 2DCOS is a powerful technique applicable to the in-depth analysis of various spectral data of polymers obtained under some type of perturbation. The powerful utility of 2DCOS combined with various analytical techniques in polymer studies and noteworthy developments of 2DCOS used in this field are also highlighted. PMID:25815286

Phenalenone-type phytoalexins mediate resistance of banana plants (Musa spp.) to the burrowing nematode Radopholus similis

PubMed Central

Hölscher, Dirk; Dhakshinamoorthy, Suganthagunthalam; Alexandrov, Theodore; Becker, Michael; Bretschneider, Tom; Buerkert, Andreas; Crecelius, Anna C.; De Waele, Dirk; Elsen, Annemie; Heckel, David G.; Heklau, Heike; Hertweck, Christian; Kai, Marco; Knop, Katrin; Krafft, Christoph; Maddula, Ravi K.; Matthäus, Christian; Popp, Jürgen; Schneider, Bernd; Schubert, Ulrich S.; Sikora, Richard A.; Svatoš, Aleš; Swennen, Rony L.

2014-01-01

The global yield of bananas—one of the most important food crops—is severely hampered by parasites, such as nematodes, which cause yield losses up to 75%. Plant–nematode interactions of two banana cultivars differing in susceptibility to Radopholus similis were investigated by combining the conventional and spatially resolved analytical techniques 1H NMR spectroscopy, matrix-free UV-laser desorption/ionization mass spectrometric imaging, and Raman microspectroscopy. This innovative combination of analytical techniques was applied to isolate, identify, and locate the banana-specific type of phytoalexins, phenylphenalenones, in the R. similis-caused lesions of the plants. The striking antinematode activity of the phenylphenalenone anigorufone, its ingestion by the nematode, and its subsequent localization in lipid droplets within the nematode is reported. The importance of varying local concentrations of these specialized metabolites in infected plant tissues, their involvement in the plant’s defense system, and derived strategies for improving banana resistance are highlighted. PMID:24324151

Analytical Glycobiology at High Sensitivity: Current Approaches and Directions

PubMed Central

Novotny, Milos V.; Alley, William R.; Mann, Benjamin F.

2013-01-01

This review summarizes the analytical advances made during the last several years in the structural and quantitative determinations of glycoproteins in complex biological mixtures. The main analytical techniques used in the fields of glycomics and glycoproteomics involve different modes of mass spectrometry and their combinations with capillary separation methods such as microcolumn liquid chromatography and capillary electrophoresis. The needs for high-sensitivity measurements have been emphasized in the oligosaccharide profiling used in the field of biomarker discovery through MALDI mass spectrometry. High-sensitivity profiling of both glycans and glycopeptides from biological fluids and tissue extracts has been aided significantly through lectin preconcentration and the uses of affinity chromatography. PMID:22945852

Multi-scale analytical investigation of fly ash in concrete

NASA Astrophysics Data System (ADS)

Aboustait, Mohammed B.

Much research has been conducted to find an acceptable concrete ingredient that would act as cement replacement. One promising material is fly ash. Fly ash is a by-product from coal-fired power plants. Throughout this document work on the characterization of fly ash structure and composition will be explored. This effort was conducted through a mixture of cutting edge multi-scale analytical X-ray based techniques that use both bulk experimentation and nano/micro analytical techniques. Furtherly, this examination was coupled by performing Physical/Mechanical ASTM based testing on fly ash-enrolled-concrete to examine the effects of fly ash introduction. The most exotic of the cutting edge characterization techniques endorsed in this work uses the Nano-Computed Tomography and the Nano X-ray Fluorescence at Argonne National Laboratory to investigate single fly ash particles. Additional Work on individual fly ash particles was completed by laboratory-based Micro-Computed Tomography and Scanning Electron Microscopy. By combining the results of individual particles and bulk property tests, a compiled perspective is introduced, and accessed to try and make new insights into the reactivity of fly ash within concrete.

Chemical Sensor Array Response Modeling Using Quantitative Structure-Activity Relationships Technique

NASA Astrophysics Data System (ADS)

Shevade, Abhijit V.; Ryan, Margaret A.; Homer, Margie L.; Zhou, Hanying; Manfreda, Allison M.; Lara, Liana M.; Yen, Shiao-Pin S.; Jewell, April D.; Manatt, Kenneth S.; Kisor, Adam K.

We have developed a Quantitative Structure-Activity Relationships (QSAR) based approach to correlate the response of chemical sensors in an array with molecular descriptors. A novel molecular descriptor set has been developed; this set combines descriptors of sensing film-analyte interactions, representing sensor response, with a basic analyte descriptor set commonly used in QSAR studies. The descriptors are obtained using a combination of molecular modeling tools and empirical and semi-empirical Quantitative Structure-Property Relationships (QSPR) methods. The sensors under investigation are polymer-carbon sensing films which have been exposed to analyte vapors at parts-per-million (ppm) concentrations; response is measured as change in film resistance. Statistically validated QSAR models have been developed using Genetic Function Approximations (GFA) for a sensor array for a given training data set. The applicability of the sensor response models has been tested by using it to predict the sensor activities for test analytes not considered in the training set for the model development. The validated QSAR sensor response models show good predictive ability. The QSAR approach is a promising computational tool for sensing materials evaluation and selection. It can also be used to predict response of an existing sensing film to new target analytes.

A hybrid analytical model for open-circuit field calculation of multilayer interior permanent magnet machines

NASA Astrophysics Data System (ADS)

Zhang, Zhen; Xia, Changliang; Yan, Yan; Geng, Qiang; Shi, Tingna

2017-08-01

Due to the complicated rotor structure and nonlinear saturation of rotor bridges, it is difficult to build a fast and accurate analytical field calculation model for multilayer interior permanent magnet (IPM) machines. In this paper, a hybrid analytical model suitable for the open-circuit field calculation of multilayer IPM machines is proposed by coupling the magnetic equivalent circuit (MEC) method and the subdomain technique. In the proposed analytical model, the rotor magnetic field is calculated by the MEC method based on the Kirchhoff's law, while the field in the stator slot, slot opening and air-gap is calculated by subdomain technique based on the Maxwell's equation. To solve the whole field distribution of the multilayer IPM machines, the coupled boundary conditions on the rotor surface are deduced for the coupling of the rotor MEC and the analytical field distribution of the stator slot, slot opening and air-gap. The hybrid analytical model can be used to calculate the open-circuit air-gap field distribution, back electromotive force (EMF) and cogging torque of multilayer IPM machines. Compared with finite element analysis (FEA), it has the advantages of faster modeling, less computation source occupying and shorter time consuming, and meanwhile achieves the approximate accuracy. The analytical model is helpful and applicable for the open-circuit field calculation of multilayer IPM machines with any size and pole/slot number combination.

Identification of volatiles from pineapple (Ananas comosus L.) pulp by comprehensive two-dimensional gas chromatography and gas chromatography/mass spectrometry.

PubMed

Pedroso, Marcio P; Ferreira, Ernesto C; Hantao, Leandro W; Bogusz, Stanislau; Augusto, Fabio

2011-07-01

Combining qualitative data from the chromatographic structure of 2-D gas chromatography with flame ionization detection (GC×GC-FID) and that from gas chromatography-mass spectrometry (GC/MS) should result in a more accurate assignment of the peak identities than the simple analysis by GC/MS, where coelution of analytes is unavoidable in highly complex samples (rendering spectra unsuitable for qualitative purposes) or for compounds in very low concentrations. Using data from GC×GC-FID combined with GC/MS can reveal coelutions that were not detected by mass spectra deconvolution software. In addition, some compounds can be identified according to the structure of the GC×GC-FID chromatogram. In this article, the volatile fractions of fresh and dehydrated pineapple pulp were evaluated. The extraction of the volatiles was performed by dynamic headspace extraction coupled to solid-phase microextraction (DHS-SPME), a technique appropriate for slurries or solid matrices. Extracted analytes were then analyzed by GC×GC-FID and GC/MS. The results obtained using both techniques were combined to improve compound identifications. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Absolute rate constant for the reaction of atomic chlorine with hydrogen peroxide vapor over the temperature range 265-400 K

NASA Technical Reports Server (NTRS)

Michael, J. V.; Whytock, D. A.; Lee, J. H.; Payne, W. A.; Stief, L. J.

1977-01-01

Rate constants for the reaction of atomic chlorine with hydrogen peroxide were measured from 265-400 K using the flash photolysis-resonance fluorescence technique. Analytical techniques were developed to measure H2O2 under reaction conditions. Due to ambiguity in the interpretation of the analytical results, the data combine to give two equally acceptable representations of the temperature dependence. The results are compared to previous work at 298 K and are theoretically discussed in terms of the mechanism of the reaction. Additional experiments on the H + H2O2 reaction at 298 and 359 K are compared with earlier results from this laboratory and give a slightly revised bimolecular rate constant.

CALIBRATION OF SEMI-ANALYTIC MODELS OF GALAXY FORMATION USING PARTICLE SWARM OPTIMIZATION

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

Ruiz, Andrés N.; Domínguez, Mariano J.; Yaryura, Yamila

2015-03-10

We present a fast and accurate method to select an optimal set of parameters in semi-analytic models of galaxy formation and evolution (SAMs). Our approach compares the results of a model against a set of observables applying a stochastic technique called Particle Swarm Optimization (PSO), a self-learning algorithm for localizing regions of maximum likelihood in multidimensional spaces that outperforms traditional sampling methods in terms of computational cost. We apply the PSO technique to the SAG semi-analytic model combined with merger trees extracted from a standard Lambda Cold Dark Matter N-body simulation. The calibration is performed using a combination of observedmore » galaxy properties as constraints, including the local stellar mass function and the black hole to bulge mass relation. We test the ability of the PSO algorithm to find the best set of free parameters of the model by comparing the results with those obtained using a MCMC exploration. Both methods find the same maximum likelihood region, however, the PSO method requires one order of magnitude fewer evaluations. This new approach allows a fast estimation of the best-fitting parameter set in multidimensional spaces, providing a practical tool to test the consequences of including other astrophysical processes in SAMs.« less

A technique for computation of noise temperature due to a beam waveguide shroud

NASA Technical Reports Server (NTRS)

Veruttipong, W.; Franco, M. M.

1993-01-01

Direct analytical computation of the noise temperature of real beam waveguide (BWG) systems, including all mirrors and the surrounding shroud, is an extremely complex problem and virtually impossible to achieve. Yet the DSN antennas are required to be ultra low-noise in order to be effective, and a reasonably accurate prediction is essential. This article presents a relatively simple technique to compute a real BWG system noise temperature by combining analytical techniques with data from experimental tests. Specific expressions and parameters for X-band (8.45-GHz) BWG noise computation are obtained for DSS 13 and DSS 24, now under construction. These expressions are also valid for various conditions of the BWG feed systems, including horn sizes and positions, and mirror sizes, curvatures, and positions. Parameters for S- and Ka-bands (2.3 and 32.0 GHz) have not been determined; however, those can be obtained following the same procedure as for X-band.

Trace metal speciation in natural waters: Computational vs. analytical

USGS Publications Warehouse

Nordstrom, D. Kirk

1996-01-01

Improvements in the field sampling, preservation, and determination of trace metals in natural waters have made many analyses more reliable and less affected by contamination. The speciation of trace metals, however, remains controversial. Chemical model speciation calculations do not necessarily agree with voltammetric, ion exchange, potentiometric, or other analytical speciation techniques. When metal-organic complexes are important, model calculations are not usually helpful and on-site analytical separations are essential. Many analytical speciation techniques have serious interferences and only work well for a limited subset of water types and compositions. A combined approach to the evaluation of speciation could greatly reduce these uncertainties. The approach proposed would be to (1) compare and contrast different analytical techniques with each other and with computed speciation, (2) compare computed trace metal speciation with reliable measurements of solubility, potentiometry, and mean activity coefficients, and (3) compare different model calculations with each other for the same set of water analyses, especially where supplementary data on speciation already exist. A comparison and critique of analytical with chemical model speciation for a range of water samples would delineate the useful range and limitations of these different approaches to speciation. Both model calculations and analytical determinations have useful and different constraints on the range of possible speciation such that they can provide much better insight into speciation when used together. Major discrepancies in the thermodynamic databases of speciation models can be evaluated with the aid of analytical speciation, and when the thermodynamic models are highly consistent and reliable, the sources of error in the analytical speciation can be evaluated. Major thermodynamic discrepancies also can be evaluated by simulating solubility and activity coefficient data and testing various chemical models for their range of applicability. Until a comparative approach such as this is taken, trace metal speciation will remain highly uncertain and controversial.

The Art and Science of Aerial Perspective

ERIC Educational Resources Information Center

Kegel, Susan

2006-01-01

The author is always looking for ways to see connections and to adapt experiences across different subjects. Combining art with other disciplines helps keep students engaged, even the really analytical and verbal learners. Aerial perspective is an art technique, a scientific principle, and a vehicle for introducing Chinese painting and…

Determination of Plant Volatiles Using Solid Phase Microextraction GC-MS

ERIC Educational Resources Information Center

Van Bramer, Scott; Goodrich, Katherine R.

2015-01-01

This experiment combines analytical techniques of solid phase microextraction and gas chromatography-mass spectrometry with easily relatable and accessible plant volatile chemistry (floral and vegetative scents of local/available plants). The biosynthesis and structure of these chemicals are of interest in the areas of organic chemistry,…

Corporate Multiculturalism, Diversity Management, and Positive Interculturalism in Irish Schools and Society

ERIC Educational Resources Information Center

Bryan, Audrey

2010-01-01

This article offers an empirical critique of recent social and educational policy responses to cultural diversity in an Irish context, with a particular focus on anti-racism, integration and intercultural education policies developed during the so-called "Celtic Tiger" era. Combining ethnographic and discourse analytic techniques, I…

Search for and investigation of extraterrestrial forms of life

NASA Technical Reports Server (NTRS)

Rubin, A. B.

1975-01-01

Correct combinations of remote, analytic, and functional methods and measuring devices for detecting extraterrestrial life are elaborated. Considered are techniques and instruments available both on earth and aboard spacecraft and artificial planetary satellites. Emphasis is placed on the abiogenetic synthesis of organic compounds formed in photosynthesis on Mars.

Combined sensing platform for advanced diagnostics in exhaled mouse breath

NASA Astrophysics Data System (ADS)

Fortes, Paula R.; Wilk, Andreas; Seichter, Felicia; Cajlakovic, Merima; Koestler, Stefan; Ribitsch, Volker; Wachter, Ulrich; Vogt, Josef; Radermacher, Peter; Carter, Chance; Raimundo, Ivo M.; Mizaikoff, Boris

2013-03-01

Breath analysis is an attractive non-invasive strategy for early disease recognition or diagnosis, and for therapeutic progression monitoring, as quantitative compositional analysis of breath can be related to biomarker panels provided by a specific physiological condition invoked by e.g., pulmonary diseases, lung cancer, breast cancer, and others. As exhaled breath contains comprehensive information on e.g., the metabolic state, and since in particular volatile organic constituents (VOCs) in exhaled breath may be indicative of certain disease states, analytical techniques for advanced breath diagnostics should be capable of sufficient molecular discrimination and quantification of constituents at ppm-ppb - or even lower - concentration levels. While individual analytical techniques such as e.g., mid-infrared spectroscopy may provide access to a range of relevant molecules, some IR-inactive constituents require the combination of IR sensing schemes with orthogonal analytical tools for extended molecular coverage. Combining mid-infrared hollow waveguides (HWGs) with luminescence sensors (LS) appears particularly attractive, as these complementary analytical techniques allow to simultaneously analyze total CO2 (via luminescence), the 12CO2/13CO2 tracer-to-tracee (TTR) ratio (via IR), selected VOCs (via IR) and O2 (via luminescence) in exhaled breath, yet, establishing a single diagnostic platform as both sensors simultaneously interact with the same breath sample volume. In the present study, we take advantage of a particularly compact (shoebox-size) FTIR spectrometer combined with novel substrate-integrated hollow waveguide (iHWG) recently developed by our research team, and miniaturized fiberoptic luminescence sensors for establishing a multi-constituent breath analysis tool that is ideally compatible with mouse intensive care stations (MICU). Given the low tidal volume and flow of exhaled mouse breath, the TTR is usually determined after sample collection via gas chromatography coupled to mass spectrometric detection. Here, we aim at potentially continuously analyzing the TTR via iHWGs and LS flow-through sensors requiring only minute (< 1 mL) sample volumes. Furthermore, this study explores non-linearities observed for the calibration functions of 12CO2 and 13CO2 potentially resulting from effects related to optical collision diameters e.g., in presence of molecular oxygen. It is anticipated that the simultaneous continuous analysis of oxygen via LS will facilitate the correction of these effects after inclusion within appropriate multivariate calibration models, thus providing more reliable and robust calibration schemes for continuously monitoring relevant breath constituents.

Conservative Analytical Collision Probabilities for Orbital Formation Flying

NASA Technical Reports Server (NTRS)

Carpenter, J. Russell

2004-01-01

The literature offers a number of approximations for analytically and/or efficiently computing the probability of collision between two space objects. However, only one of these techniques is a completely analytical approximation that is suitable for use in the preliminary design phase, when it is more important to quickly analyze a large segment of the trade space than it is to precisely compute collision probabilities. Unfortunately, among the types of formations that one might consider, some combine a range of conditions for which this analytical method is less suitable. This work proposes a simple, conservative approximation that produces reasonable upper bounds on the collision probability in such conditions. Although its estimates are much too conservative under other conditions, such conditions are typically well suited for use of the existing method.

Electrostatic Interactions between OmpG Nanopore and Analyte Protein Surface Can Distinguish between Glycosylated Isoforms.

PubMed

Fahie, Monifa A; Chen, Min

2015-08-13

The flexible loops decorating the entrance of OmpG nanopore move dynamically during ionic current recording. The gating caused by these flexible loops changes when a target protein is bound. The gating is characterized by parameters including frequency, duration, and open-pore current, and these features combine to reveal the identity of a specific analyte protein. Here, we show that OmpG nanopore equipped with a biotin ligand can distinguish glycosylated and deglycosylated isoforms of avidin by their differences in surface charge. Our studies demonstrate that the direct interaction between the nanopore and analyte surface, induced by the electrostatic attraction between the two molecules, is essential for protein isoform detection. Our technique is remarkably sensitive to the analyte surface, which may provide a useful tool for glycoprotein profiling.

Conservative Analytical Collision Probability for Design of Orbital Formations

NASA Technical Reports Server (NTRS)

Carpenter, J. Russell

2004-01-01

The literature offers a number of approximations for analytically and/or efficiently computing the probability of collision between two space objects. However, only one of these techniques is a completely analytical approximation that is suitable for use in the preliminary design phase, when it is more important to quickly analyze a large segment of the trade space than it is to precisely compute collision probabilities. Unfortunately, among the types of formations that one might consider, some combine a range of conditions for which this analytical method is less suitable. This work proposes a simple, conservative approximation that produces reasonable upper bounds on the collision probability in such conditions. Although its estimates are much too conservative under other conditions, such conditions are typically well suited for use of the existing method.

Ultrasensitive detection of target analyte-induced aggregation of gold nanoparticles using laser-induced nanoparticle Rayleigh scattering.

PubMed

Lin, Jia-Hui; Tseng, Wei-Lung

2015-01-01

Detection of salt- and analyte-induced aggregation of gold nanoparticles (AuNPs) mostly relies on costly and bulky analytical instruments. To response this drawback, a portable, miniaturized, sensitive, and cost-effective detection technique is urgently required for rapid field detection and monitoring of target analyte via the use of AuNP-based sensor. This study combined a miniaturized spectrometer with a 532-nm laser to develop a laser-induced Rayleigh scattering technique, allowing the sensitive and selective detection of Rayleigh scattering from the aggregated AuNPs. Three AuNP-based sensing systems, including salt-, thiol- and metal ion-induced aggregation of the AuNPs, were performed to examine the sensitivity of laser-induced Rayleigh scattering technique. Salt-, thiol-, and metal ion-promoted NP aggregation were exemplified by the use of aptamer-adsorbed, fluorosurfactant-stabilized, and gallic acid-capped AuNPs for probing K(+), S-adenosylhomocysteine hydrolase-induced hydrolysis of S-adenosylhomocysteine, and Pb(2+), in sequence. Compared to the reported methods for monitoring the aggregated AuNPs, the proposed system provided distinct advantages of sensitivity. Laser-induced Rayleigh scattering technique was improved to be convenient, cheap, and portable by replacing a diode laser and a miniaturized spectrometer with a laser pointer and a smart-phone. Using this smart-phone-based detection platform, we can determine whether or not the Pb(2+) concentration exceed the maximum allowable level of Pb(2+) in drinking water. Copyright © 2014 Elsevier B.V. All rights reserved.

Computational overlay metrology with adaptive data analytics

NASA Astrophysics Data System (ADS)

Schmitt-Weaver, Emil; Subramony, Venky; Ullah, Zakir; Matsunobu, Masazumi; Somasundaram, Ravin; Thomas, Joel; Zhang, Linmiao; Thul, Klaus; Bhattacharyya, Kaustuve; Goossens, Ronald; Lambregts, Cees; Tel, Wim; de Ruiter, Chris

2017-03-01

With photolithography as the fundamental patterning step in the modern nanofabrication process, every wafer within a semiconductor fab will pass through a lithographic apparatus multiple times. With more than 20,000 sensors producing more than 700GB of data per day across multiple subsystems, the combination of a light source and lithographic apparatus provide a massive amount of information for data analytics. This paper outlines how data analysis tools and techniques that extend insight into data that traditionally had been considered unmanageably large, known as adaptive analytics, can be used to show how data collected before the wafer is exposed can be used to detect small process dependent wafer-towafer changes in overlay.

A graph algebra for scalable visual analytics.

PubMed

Shaverdian, Anna A; Zhou, Hao; Michailidis, George; Jagadish, Hosagrahar V

2012-01-01

Visual analytics (VA), which combines analytical techniques with advanced visualization features, is fast becoming a standard tool for extracting information from graph data. Researchers have developed many tools for this purpose, suggesting a need for formal methods to guide these tools' creation. Increased data demands on computing requires redesigning VA tools to consider performance and reliability in the context of analysis of exascale datasets. Furthermore, visual analysts need a way to document their analyses for reuse and results justification. A VA graph framework encapsulated in a graph algebra helps address these needs. Its atomic operators include selection and aggregation. The framework employs a visual operator and supports dynamic attributes of data to enable scalable visual exploration of data.

Evaluation of support loss in micro-beam resonators: A revisit

NASA Astrophysics Data System (ADS)

Chen, S. Y.; Liu, J. Z.; Guo, F. L.

2017-12-01

This paper presents an analytical study on evaluation of support loss in micromechanical resonators undergoing in-plane flexural vibrations. Two-dimensional elastic wave theory is used to determine the energy transmission from the vibrating resonator to the support. Fourier transform and Green's function technique are adopted to solve the problem of wave motions on the surface of the support excited by the forces transmitted by the resonator onto the support. Analytical expressions of support loss in terms of quality factor, taking into account distributed normal stress and shear stress in the attachment region, and coupling between the normal stress and shear stress as well as material disparity between the support and the resonator, have been derived. Effects of geometry of micro-beam resonators, and material dissimilarity between support and resonator on support loss are examined. Numerical results show that 'harder resonator' and 'softer support' combination leads to larger support loss. In addition, the Perfectly Matched Layer (PML) numerical simulation technique is employed for validation of the proposed analytical model. Comparing with results of quality factor obtained by PML technique, we find that the present model agrees well with the results of PML technique and the pure-shear model overestimates support loss noticeably, especially for resonators with small aspect ratio and large material dissimilarity between the support and resonator.

Recent development of electrochemiluminescence sensors for food analysis.

PubMed

Hao, Nan; Wang, Kun

2016-10-01

Food quality and safety are closely related to human health. In the face of unceasing food safety incidents, various analytical techniques, such as mass spectrometry, chromatography, spectroscopy, and electrochemistry, have been applied in food analysis. High sensitivity usually requires expensive instruments and complicated procedures. Although these modern analytical techniques are sensitive enough to ensure food safety, sometimes their applications are limited because of the cost, usability, and speed of analysis. Electrochemiluminescence (ECL) is a powerful analytical technique that is attracting more and more attention because of its outstanding performance. In this review, the mechanisms of ECL and common ECL luminophores are briefly introduced. Then an overall review of the principles and applications of ECL sensors for food analysis is provided. ECL can be flexibly combined with various separation techniques. Novel materials (e.g., various nanomaterials) and strategies (e.g., immunoassay, aptasensors, and microfluidics) have been progressively introduced into the design of ECL sensors. By illustrating some selected representative works, we summarize the state of the art in the development of ECL sensors for toxins, heavy metals, pesticides, residual drugs, illegal additives, viruses, and bacterias. Compared with other methods, ECL can provide rapid, low-cost, and sensitive detection for various food contaminants in complex matrixes. However, there are also some limitations and challenges. Improvements suited to the characteristics of food analysis are still necessary.

Active Control of Inlet Noise on the JT15D Turbofan Engine

NASA Technical Reports Server (NTRS)

Smith, Jerome P.; Hutcheson, Florence V.; Burdisso, Ricardo A.; Fuller, Chris R.

1999-01-01

This report presents the key results obtained by the Vibration and Acoustics Laboratories at Virginia Tech over the year from November 1997 to December 1998 on the Active Noise Control of Turbofan Engines research project funded by NASA Langley Research Center. The concept of implementing active noise control techniques with fuselage-mounted error sensors is investigated both analytically and experimentally. The analytical part of the project involves the continued development of an advanced modeling technique to provide prediction and design guidelines for application of active noise control techniques to large, realistic high bypass engines of the type on which active control methods are expected to be applied. Results from the advanced analytical model are presented that show the effectiveness of the control strategies, and the analytical results presented for fuselage error sensors show good agreement with the experimentally observed results and provide additional insight into the control phenomena. Additional analytical results are presented for active noise control used in conjunction with a wavenumber sensing technique. The experimental work is carried out on a running JT15D turbofan jet engine in a test stand at Virginia Tech. The control strategy used in these tests was the feedforward Filtered-X LMS algorithm. The control inputs were supplied by single and multiple circumferential arrays of acoustic sources equipped with neodymium iron cobalt magnets mounted upstream of the fan. The reference signal was obtained from an inlet mounted eddy current probe. The error signals were obtained from a number of pressure transducers flush-mounted in a simulated fuselage section mounted in the engine test cell. The active control methods are investigated when implemented with the control sources embedded within the acoustically absorptive material on a passively-lined inlet. The experimental results show that the combination of active control techniques with fuselage-mounted error sensors and passive control techniques is an effective means of reducing radiated noise from turbofan engines. Strategic selection of the location of the error transducers is shown to be effective for reducing the radiation towards particular directions in the farfield. An analytical model is used to predict the behavior of the control system and to guide the experimental design configurations, and the analytical results presented show good agreement with the experimentally observed results.

Ion beam analysis in cultural heritage studies: Milestones and perspectives

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

Dran, Jean-Claude; Calligaro, Thomas

2013-07-18

For three decades, ion beam analysis (IBA) in external mode was considered as the best choice for the characterisation of cultural heritage materials, as it combines excellent analytical performance and non-invasive character. However, in recent years, other analytical techniques arose as serious competitors, such as those based on synchrotron radiation (X-ray absorption, fluorescence or diffraction) or those using portable instruments (XRF, micro-Raman). It is shown that nevertheless IBA remains unmatched thanks to two unique features, namely the analysis of light elements and the high-resolution 3D chemical imaging.

Chemical analysis of acoustically levitated drops by Raman spectroscopy.

PubMed

Tuckermann, Rudolf; Puskar, Ljiljana; Zavabeti, Mahta; Sekine, Ryo; McNaughton, Don

2009-07-01

An experimental apparatus combining Raman spectroscopy with acoustic levitation, Raman acoustic levitation spectroscopy (RALS), is investigated in the field of physical and chemical analytics. Whereas acoustic levitation enables the contactless handling of microsized samples, Raman spectroscopy offers the advantage of a noninvasive method without complex sample preparation. After carrying out some systematic tests to probe the sensitivity of the technique to drop size, shape, and position, RALS has been successfully applied in monitoring sample dilution and preconcentration, evaporation, crystallization, an acid-base reaction, and analytes in a surface-enhanced Raman spectroscopy colloidal suspension.

Biosensors for hepatitis B virus detection.

PubMed

Yao, Chun-Yan; Fu, Wei-Ling

2014-09-21

A biosensor is an analytical device used for the detection of analytes, which combines a biological component with a physicochemical detector. Recently, an increasing number of biosensors have been used in clinical research, for example, the blood glucose biosensor. This review focuses on the current state of biosensor research with respect to efficient, specific and rapid detection of hepatitis B virus (HBV). The biosensors developed based on different techniques, including optical methods (e.g., surface plasmon resonance), acoustic wave technologies (e.g., quartz crystal microbalance), electrochemistry (amperometry, voltammetry and impedance) and novel nanotechnology, are also discussed.

Non-traditional isotopes in analytical ecogeochemistry assessed by MC-ICP-MS

NASA Astrophysics Data System (ADS)

Prohaska, Thomas; Irrgeher, Johanna; Horsky, Monika; Hanousek, Ondřej; Zitek, Andreas

2014-05-01

Analytical ecogeochemistry deals with the development and application of tools of analytical chemistry to study dynamic biological and ecological processes within ecosystems and across ecosystem boundaries in time. It can be best described as a linkage between modern analytical chemistry and a holistic understanding of ecosystems ('The total human ecosystem') within the frame of transdisciplinary research. One focus of analytical ecogeochemistry is the advanced analysis of elements and isotopes in abiotic and biotic matrices and the application of the results to basic questions in different research fields like ecology, environmental science, climatology, anthropology, forensics, archaeometry and provenancing. With continuous instrumental developments, new isotopic systems have been recognized for their potential to study natural processes and well established systems could be analyzed with improved techniques, especially using multi collector inductively coupled plasma mass spectrometry (MC-ICP-MS). For example, in case of S, isotope ratio measurements at high mass resolution could be achieved at much lower S concentrations with ICP-MS as compared to IRMS, still keeping suitable uncertainty. Almost 50 different isotope systems have been investigated by ICP-MS, so far, with - besides Sr, Pb and U - Ca, Mg, Cd, Li, Hg, Si, Ge and B being the most prominent and considerably pushing the limits of plasma based mass spectrometry also by applying high mass resolution. The use of laser ablation in combination with MC-ICP-MS offers the possibility to achieve isotopic information on high spatial (µm-range) and temporal scale (in case of incrementally growing structures). The information gained with these analytical techniques can be linked between different hierarchical scales in ecosystems, offering means to better understand ecosystem processes. The presentation will highlight the use of different isotopic systems in ecosystem studies accomplished by ICP-MS. Selected examples on combining isotopic systems for the study of ecosystem processes on different spatial scales will underpin the great opportunities substantiated by the field of analytical ecogeochemistry. Moreover, recent developments in plasma mass spectrometry and the application of new isotopic systems require sound metrological approaches in order to prevent scientific conclusions drawn from analytical artifacts.

Investigation of Stainless Steel Corrosion in Ultrahigh-Purity Water and Steam Systems by Surface Analytical Techniques

NASA Astrophysics Data System (ADS)

Dong, Xia; Iacocca, Ronald G.; Bustard, Bethany L.; Kemp, Craig A. J.

2010-02-01

Stainless steel pipes with different degrees of rouging and a Teflon®-coated rupture disc with severe corrosion were thoroughly investigated by combining multiple surface analytical techniques. The surface roughness and iron oxide layer thickness increase with increasing rouge severity, and the chromium oxide layer coexists with the iron oxide layer in samples with various degrees of rouging. Unlike the rouging observed for stainless steel pipes, the fast degradation of the rupture disc was caused by a crevice corrosion environment created by perforations in the protective Teflon coating. This failure analysis clearly shows the highly corrosive nature of ultrapure water used in the manufacture of pharmaceutical products, and demonstrates some of the unexpected corrosion mechanisms that can be encountered in these environments.

Individual Human Cell Responses to Low Doses of Chemicals and Radiation Studied by Synchrotron Infrared Spectromicroscopy

NASA Astrophysics Data System (ADS)

Martin, Michael C.; Holman, Hoi-Ying N.; Blakely, Eleanor A.; Goth-Goldstein, Regine; McKinney, Wayne R.

2000-03-01

Vibrational spectroscopy, when combined with synchrotron radiation-based (SR) microscopy, is a powerful new analytical tool with high spatial resolution for detecting biochemical changes in individual living cells. In contrast to other microscopy methods that require fixing, drying, staining or labeling, SR FTIR microscopy probes intact living cells providing a composite view of all of the molecular responses and the ability to monitor the responses over time in the same cell. Observed spectral changes include all types of lesions induced in that cell as well as cellular responses to external and internal stresses. These spectral changes combined with other analytical tools may provide a fundamental understanding of the key molecular mechanisms induced in response to stresses created by low-doses of radiation and chemicals. In this study we used high spatial-resolution SR FTIR vibrational spectromicroscopy at ALS Beamline 1.4.3 as a sensitive analytical tool to detect chemical- and radiation-induced changes in individual human cells. Our preliminary spectral measurements indicate that this technique is sensitive enough to detect changes in nucleic acids and proteins of cells treated with environmentally relevant concentrations of oxidative stresses: bleomycin, hydrogen peroxide, and X-rays. We observe spectral changes that are unique to each exogenous stressor. This technique has the potential to distinguish changes from exogenous or endogenous oxidative processes. Future development of this technique will allow rapid monitoring of cellular processes such as drug metabolism, early detection of disease, bio-compatibility of implant materials, cellular repair mechanisms, self assembly of cellular apparatus, cell differentiation and fetal development.

New techniques for imaging and analyzing lung tissue.

PubMed Central

Roggli, V L; Ingram, P; Linton, R W; Gutknecht, W F; Mastin, P; Shelburne, J D

1984-01-01

The recent technological revolution in the field of imaging techniques has provided pathologists and toxicologists with an expanding repertoire of analytical techniques for studying the interaction between the lung and the various exogenous materials to which it is exposed. Analytical problems requiring elemental sensitivity or specificity beyond the range of that offered by conventional scanning electron microscopy and energy dispersive X-ray analysis are particularly appropriate for the application of these newer techniques. Electron energy loss spectrometry, Auger electron spectroscopy, secondary ion mass spectrometry, and laser microprobe mass analysis each offer unique advantages in this regard, but also possess their own limitations and disadvantages. Diffraction techniques provide crystalline structural information available through no other means. Bulk chemical techniques provide useful cross-checks on the data obtained by microanalytical approaches. It is the purpose of this review to summarize the methodology of these techniques, acknowledge situations in which they have been used in addressing problems in pulmonary toxicology, and comment on the relative advantages and disadvantages of each approach. It is necessary for an investigator to weigh each of these factors when deciding which technique is best suited for any given analytical problem; often it is useful to employ a combination of two or more of the techniques discussed. It is anticipated that there will be increasing utilization of these technologies for problems in pulmonary toxicology in the decades to come. Images FIGURE 3. A FIGURE 3. B FIGURE 3. C FIGURE 3. D FIGURE 4. FIGURE 5. FIGURE 7. A FIGURE 7. B FIGURE 8. A FIGURE 8. B FIGURE 8. C FIGURE 9. A FIGURE 9. B FIGURE 10. PMID:6090115

A General Multidimensional Model for the Measurement of Cultural Differences.

ERIC Educational Resources Information Center

Olmedo, Esteban L.; Martinez, Sergio R.

A multidimensional model for measuring cultural differences (MCD) based on factor analytic theory and techniques is proposed. The model assumes that a cultural space may be defined by means of a relatively small number of orthogonal dimensions which are linear combinations of a much larger number of cultural variables. Once a suitable,…

What Makes Blogging Attractive to Bloggers: A Case of College-Level Constituency Users

ERIC Educational Resources Information Center

Huang, Y-H.; Lo, Y-F.

2012-01-01

This study presents a new perspective to facilitate learner-centred weblog evaluation, based on content attractiveness, blogging support, and the value-added service construct. A mixed method, combining fishbone diagram, fuzzy logic techniques, and the analytic hierarchy process, was conducted to identify further the criteria that attract bloggers…

Determination of arsenic and selenium by hydride generation and headspace solid phase microextraction coupled with optical emission spectrometry

NASA Astrophysics Data System (ADS)

Tyburska, Anna; Jankowski, Krzysztof; Rodzik, Agnieszka

2011-07-01

A hydride generation headspace solid phase microextraction technique has been developed in combination with optical emission spectrometry for determination of total arsenic and selenium. Hydrides were generated in a 10 mL volume septum-sealed vial and subsequently collected onto a polydimethylsiloxane/Carboxen solid phase microextraction fiber from the headspace of sample solution. After completion of the sorption, the fiber was transferred into a thermal desorption unit and the analytes were vaporized and directly introduced into argon inductively coupled plasma or helium microwave induced plasma radiation source. Experimental conditions of hydride formation reaction as well as sorption and desorption of analytes have been optimized showing the significant effect of the type of the solid phase microextraction fiber coating, the sorption time and hydrochloric acid concentration of the sample solution on analytical characteristics of the method developed. The limits of detection of arsenic and selenium were 0.1 and 0.8 ng mL - 1 , respectively. The limit of detection of selenium could be improved further using biosorption with baker's yeast Saccharomyces cerevisiae for analyte preconcentration. The technique was applied for the determination of total As and Se in real samples.

Analytical techniques for characterization of cyclodextrin complexes in aqueous solution: a review.

PubMed

Mura, Paola

2014-12-01

Cyclodextrins are cyclic oligosaccharides endowed with a hydrophilic outer surface and a hydrophobic inner cavity, able to form inclusion complexes with a wide variety of guest molecules, positively affecting their physicochemical properties. In particular, in the pharmaceutical field, cyclodextrin complexation is mainly used to increase the aqueous solubility and dissolution rate of poorly soluble drugs, and to enhance their bioavailability and stability. Analytical characterization of host-guest interactions is of fundamental importance for fully exploiting the potential benefits of complexation, helping in selection of the most appropriate cyclodextrin. The assessment of the actual formation of a drug-cyclodextrin inclusion complex and its full characterization is not a simple task and often requires the use of different analytical methods, whose results have to be combined and examined together. The purpose of the present review is to give, as much as possible, a general overview of the main analytical tools which can be employed for the characterization of drug-cyclodextrin inclusion complexes in solution, with emphasis on their respective potential merits, disadvantages and limits. Further, the applicability of each examined technique is illustrated and discussed by specific examples from literature. Copyright © 2014 Elsevier B.V. All rights reserved.

Recombinant drugs-on-a-chip: The usage of capillary electrophoresis and trends in miniaturized systems - A review.

PubMed

Morbioli, Giorgio Gianini; Mazzu-Nascimento, Thiago; Aquino, Adriano; Cervantes, Cesar; Carrilho, Emanuel

2016-09-07

We present here a critical review covering conventional analytical tools of recombinant drug analysis and discuss their evolution towards miniaturized systems foreseeing a possible unique recombinant drug-on-a-chip device. Recombinant protein drugs and/or pro-drug analysis require sensitive and reproducible analytical techniques for quality control to ensure safety and efficacy of drugs according to regulatory agencies. The versatility of miniaturized systems combined with their low-cost could become a major trend in recombinant drugs and bioprocess analysis. Miniaturized systems are capable of performing conventional analytical and proteomic tasks, allowing for interfaces with other powerful techniques, such as mass spectrometry. Microdevices can be applied during the different stages of recombinant drug processing, such as gene isolation, DNA amplification, cell culture, protein expression, protein separation, and analysis. In addition, organs-on-chips have appeared as a viable alternative to testing biodrug pharmacokinetics and pharmacodynamics, demonstrating the capabilities of the miniaturized systems. The integration of individual established microfluidic operations and analytical tools in a single device is a challenge to be overcome to achieve a unique recombinant drug-on-a-chip device. Copyright © 2016 Elsevier B.V. All rights reserved.

Plasmonic crystal based solid substrate for biomedical application of SERS

NASA Astrophysics Data System (ADS)

Morasso, Carlo F.; Mehn, Dora; Picciolini, Silvia; Vanna, Renzo; Bedoni, Marzia; Gramatica, Furio; Pellacani, Paola; Frangolho, Ana; Marchesini, Gerardo; Valsesia, Andrea

2014-02-01

Surface Enhanced Raman Spectroscopy is a powerful analytical technique that combines the excellent chemical specificity of Raman spectroscopy with the good sensitivity provided by the enhancement of the signal observed when a molecule is located on (or very close to) the surface of suitable nanostructured metallic materials. The availability of cheap, reliable and easy to use SERS substrates would pave the road to the development of bioanalytical tests that can be used in clinical practice. SERS, in fact, is expected to provide not only higher sensitivity and specificity, but also the simultaneous and markedly improved detection of several targets at the same time with higher speed compared to the conventional analytical methods. Here, we present the SERS activity of 2-D plasmonic crystals made by polymeric pillars embedded in a gold matrix obtained through the combination of soft-lithography and plasma deposition techniques on a transparent substrates. The use of a transparent support material allowed us to perform SERS detection from support side opening the possibility to use these substrates in combination with microfluidic devices. In order to demonstrate the potentialities for bioanalytical applications, we used our SERS active gold surface to detect the oxidation product of apomorphine, a well-known drug molecule used in Parkinson's disease which has been demonstrated being difficult to study by traditional HPLC based approaches.

Evaluation and performance of desorption electrospray ionization using a triple quadrupole mass spectrometer for quantitation of pharmaceuticals in plasma.

PubMed

Kennedy, Joseph H; Wiseman, Justin M

2010-02-01

The present work describes the methodology and investigates the performance of desorption electrospray ionization (DESI) combined with a triple quadrupole mass spectrometer for the quantitation of small drug molecules in human plasma. Amoxepine, atenolol, carbamazepine, clozapine, prazosin, propranolol and verapamil were selected as target analytes while terfenadine was selected as the internal standard common to each of the analytes. Protein precipitation of human plasma using acetonitrile was utilized for all samples. Limits of detection were determined for all analytes in plasma and shown to be in the range 0.2-40 ng/mL. Quantitative analysis of amoxepine, prazosin and verapamil was performed over the range 20-7400 ng/mL and shown to be linear in all cases with R(2) >0.99. In most cases, the precision (relative standard deviation) and accuracy (relative error) of each method were less than or equal to 20%, respectively. The performance of the combined techniques made it possible to analyze each sample in 15 s illustrating DESI tandem mass spectrometry (MS/MS) as powerful tool for the quantitation of analytes in deproteinized human plasma. Copyright 2010 John Wiley & Sons, Ltd.

Analytical and Theranostic Applications of Gold Nanoparticles and Multifunctional Nanocomposites

PubMed Central

Khlebtsov, Nikolai; Bogatyrev, Vladimir; Dykman, Lev; Khlebtsov, Boris; Staroverov, Sergey; Shirokov, Alexander; Matora, Larisa; Khanadeev, Vitaly; Pylaev, Timofey; Tsyganova, Natalia; Terentyuk, Georgy

2013-01-01

Gold nanoparticles (GNPs) and GNP-based multifunctional nanocomposites are the subject of intensive studies and biomedical applications. This minireview summarizes our recent efforts in analytical and theranostic applications of engineered GNPs and nanocomposites by using plasmonic properties of GNPs and various optical techniques. Specifically, we consider analytical biosensing; visualization and bioimaging of bacterial, mammalian, and plant cells; photodynamic treatment of pathogenic bacteria; and photothermal therapy of xenografted tumors. In addition to recently published reports, we discuss new data on dot immunoassay diagnostics of mycobacteria, multiplexed immunoelectron microscopy analysis of Azospirillum brasilense, materno-embryonic transfer of GNPs in pregnant rats, and combined photodynamic and photothermal treatment of rat xenografted tumors with gold nanorods covered by a mesoporous silica shell doped with hematoporphyrin. PMID:23471188

Quantitative Determination of Caffeine in Beverages Using a Combined SPME-GC/MS Method

NASA Astrophysics Data System (ADS)

Pawliszyn, Janusz; Yang, Min J.; Orton, Maureen L.

1997-09-01

Solid-phase microextraction (SPME) combined with gas chromatography/mass spectrometry (GC/MS) has been applied to the analysis of various caffeinated beverages. Unlike the current methods, this technique is solvent free and requires no pH adjustments. The simplicity of the SPME-GC/MS method lends itself to a good undergraduate laboratory practice. This publication describes the analytical conditions and presents the data for determination of caffeine in coffee, tea, and coke. Quantitation by isotopic dilution is also illustrated.

MODELING MICROBUBBLE DYNAMICS IN BIOMEDICAL APPLICATIONS*

PubMed Central

CHAHINE, Georges L.; HSIAO, Chao-Tsung

2012-01-01

Controlling microbubble dynamics to produce desirable biomedical outcomes when and where necessary and avoid deleterious effects requires advanced knowledge, which can be achieved only through a combination of experimental and numerical/analytical techniques. The present communication presents a multi-physics approach to study the dynamics combining viscous- in-viscid effects, liquid and structure dynamics, and multi bubble interaction. While complex numerical tools are developed and used, the study aims at identifying the key parameters influencing the dynamics, which need to be included in simpler models. PMID:22833696

XRF, μ-XRD and μ-spectroscopic techniques for revealing the composition and structure of paint layers on polychrome sculptures after multiple restorations.

PubMed

Franquelo, M L; Duran, A; Castaing, J; Arquillo, D; Perez-Rodriguez, J L

2012-01-30

This paper presents the novel application of recently developed analytical techniques to the study of paint layers on sculptures that have been restored/repainted several times across centuries. Analyses were performed using portable XRF, μ-XRD and μ-Raman instruments. Other techniques, such as optical microscopy, SEM-EDX and μ-FTIR, were also used. Pigments and other materials including vermilion, minium, red lac, ivory black, lead white, barium white, zinc white (zincite), titanium white (rutile and anatase), lithopone, gold and brass were detected. Pigments from both ancient and modern times were found due to the different restorations/repaintings carried out. μ-Raman was very useful to characterise some pigments that were difficult to determine by μ-XRD. In some cases, pigments identification was only possible by combining results from the different analytical techniques used in this work. This work is the first article devoted to the study of sculpture cross-section samples using laboratory-made μ-XRD systems. Copyright © 2011 Elsevier B.V. All rights reserved.

PFOA and PFOS: Treatment and Analytics | Science Inventory ...

EPA Pesticide Factsheets

PFOA and PFOS are not regulated by the USEPA. However, in 2016, USEPA established a Lifetime Drinking Water Health Advisory limit of 70 ng/L for the combined concentration of PFOA and PFOS. This presentation will cover the available technologies that can treat for PFOA and PFOS and discuss the costs of those treatments. It will also cover the implementation of EPA's Method 537 that can be used to analyze for PFOA and PFOS. To present on the available treatments a community could use to treat PFOA or PFOS, and the analytical technique to analyze them.

Microextraction techniques combined with capillary electrophoresis in bioanalysis.

PubMed

Kohler, Isabelle; Schappler, Julie; Rudaz, Serge

2013-01-01

Over the past two decades, many environmentally sustainable sample-preparation techniques have been proposed, with the objective of reducing the use of toxic organic solvents or substituting these with environmentally friendly alternatives. Microextraction techniques (MEs), in which only a small amount of organic solvent is used, have several advantages, including reduced sample volume, analysis time, and operating costs. Thus, MEs are well adapted in bioanalysis, in which sample preparation is mandatory because of the complexity of a sample that is available in small quantities (mL or even μL only). Capillary electrophoresis (CE) is a powerful and efficient separation technique in which no organic solvents are required for analysis. Combination of CE with MEs is regarded as a very attractive environmentally sustainable analytical tool, and numerous applications have been reported over the last few decades for bioanalysis of low-molecular-weight compounds or for peptide analysis. In this paper we review the use of MEs combined with CE in bioanalysis. The review is divided into two sections: liquid and solid-based MEs. A brief practical and theoretical description of each ME is given, and the techniques are illustrated by relevant applications.

Antibody Microarray for E. coli O157:H7 and Shiga Toxin in Microtiter Plates.

PubMed

Gehring, Andrew G; Brewster, Jeffrey D; He, Yiping; Irwin, Peter L; Paoli, George C; Simons, Tawana; Tu, Shu-I; Uknalis, Joseph

2015-12-04

Antibody microarray is a powerful analytical technique because of its inherent ability to simultaneously discriminate and measure numerous analytes, therefore making the technique conducive to both the multiplexed detection and identification of bacterial analytes (i.e., whole cells, as well as associated metabolites and/or toxins). We developed a sandwich fluorescent immunoassay combined with a high-throughput, multiwell plate microarray detection format. Inexpensive polystyrene plates were employed containing passively adsorbed, array-printed capture antibodies. During sample reaction, centrifugation was the only strategy found to significantly improve capture, and hence detection, of bacteria (pathogenic Escherichia coli O157:H7) to planar capture surfaces containing printed antibodies. Whereas several other sample incubation techniques (e.g., static vs. agitation) had minimal effect. Immobilized bacteria were labeled with a red-orange-fluorescent dye (Alexa Fluor 555) conjugated antibody to allow for quantitative detection of the captured bacteria with a laser scanner. Shiga toxin 1 (Stx1) could be simultaneously detected along with the cells, but none of the agitation techniques employed during incubation improved detection of the relatively small biomolecule. Under optimal conditions, the assay had demonstrated limits of detection of ~5.8 × 10⁵ cells/mL and 110 ng/mL for E. coli O157:H7 and Stx1, respectively, in a ~75 min total assay time.

Nanomanipulation-Coupled Matrix-Assisted Laser Desorption/ Ionization-Direct Organelle Mass Spectrometry: A Technique for the Detailed Analysis of Single Organelles

NASA Astrophysics Data System (ADS)

Phelps, Mandy S.; Sturtevant, Drew; Chapman, Kent D.; Verbeck, Guido F.

2016-02-01

We describe a novel technique combining precise organelle microextraction with deposition and matrix-assisted laser desorption/ionization (MALDI) for a rapid, minimally invasive mass spectrometry (MS) analysis of single organelles from living cells. A dual-positioner nanomanipulator workstation was utilized for both extraction of organelle content and precise co-deposition of analyte and matrix solution for MALDI-direct organelle mass spectrometry (DOMS) analysis. Here, the triacylglycerol (TAG) profiles of single lipid droplets from 3T3-L1 adipocytes were acquired and results validated with nanoelectrospray ionization (NSI) MS. The results demonstrate the utility of the MALDI-DOMS technique as it enabled longer mass analysis time, higher ionization efficiency, MS imaging of the co-deposited spot, and subsequent MS/MS capabilities of localized lipid content in comparison to NSI-DOMS. This method provides selective organellar resolution, which complements current biochemical analyses and prompts for subsequent subcellular studies to be performed where limited samples and analyte volume are of concern.

Rich Analysis and Rational Models: Inferring Individual Behavior from Infant Looking Data

ERIC Educational Resources Information Center

Piantadosi, Steven T.; Kidd, Celeste; Aslin, Richard

2014-01-01

Studies of infant looking times over the past 50 years have provided profound insights about cognitive development, but their dependent measures and analytic techniques are quite limited. In the context of infants' attention to discrete sequential events, we show how a Bayesian data analysis approach can be combined with a rational cognitive…

Coconut matting bezoar identified by a combined analytical approach.

PubMed Central

Levison, D A; Crocker, P R; Boxall, T A; Randall, K J

1986-01-01

A rare type of bezoar composed of coconut matting was found in the stomach of a caucasian man. The exact identity of the fibres was established by scanning electron microscopy, x-ray energy spectroscopy, and microscopic infrared spectroscopy. This report illustrates the importance of these techniques for identifying the nature of foreign material. Images PMID:3950038

User and System-Based Quality Criteria for Evaluating Information Resources and Services Available from Federal Websites: Final Report.

ERIC Educational Resources Information Center

Wyman, Steven K.; And Others

This exploratory study establishes analytical tools (based on both technical criteria and user feedback) by which federal Web site administrators may assess the quality of their websites. The study combined qualitative and quantitative data collection techniques to achieve the following objectives: (1) identify and define key issues regarding…

Analytical capillary isotachophoresis after 50 years of development: Recent progress 2014-2016.

PubMed

Malá, Zdena; Gebauer, Petr; Boček, Petr

2017-01-01

This review brings a survey of papers on analytical ITP published since 2014 until the first quarter of 2016. The 50th anniversary of ITP as a modern analytical method offers the opportunity to present a brief view on its beginnings and to discuss the present state of the art from the viewpoint of the history of its development. Reviewed papers from the field of theory and principles confirm the continuing importance of computer simulations in the discovery of new and unexpected phenomena. The strongly developing field of instrumentation and techniques shows novel channel methodologies including use of porous media and new on-chip assays, where ITP is often included in a preseparative or even preparative function. A number of new analytical applications are reported, with ITP appearing almost exclusively in combination with other principles and methods. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Recent developments in computer vision-based analytical chemistry: A tutorial review.

PubMed

Capitán-Vallvey, Luis Fermín; López-Ruiz, Nuria; Martínez-Olmos, Antonio; Erenas, Miguel M; Palma, Alberto J

2015-10-29

Chemical analysis based on colour changes recorded with imaging devices is gaining increasing interest. This is due to its several significant advantages, such as simplicity of use, and the fact that it is easily combinable with portable and widely distributed imaging devices, resulting in friendly analytical procedures in many areas that demand out-of-lab applications for in situ and real-time monitoring. This tutorial review covers computer vision-based analytical (CVAC) procedures and systems from 2005 to 2015, a period of time when 87.5% of the papers on this topic were published. The background regarding colour spaces and recent analytical system architectures of interest in analytical chemistry is presented in the form of a tutorial. Moreover, issues regarding images, such as the influence of illuminants, and the most relevant techniques for processing and analysing digital images are addressed. Some of the most relevant applications are then detailed, highlighting their main characteristics. Finally, our opinion about future perspectives is discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

Optimizing remote sensing and GIS tools for mapping and managing the distribution of an invasive mangrove (Rhizophora mangle) on South Molokai, Hawaii

USGS Publications Warehouse

D'Iorio, M.; Jupiter, S.D.; Cochran, S.A.; Potts, D.C.

2007-01-01

In 1902, the Florida red mangrove, Rhizophora mangle L., was introduced to the island of Molokai, Hawaii, and has since colonized nearly 25% of the south coast shoreline. By classifying three kinds of remote sensing imagery, we compared abilities to detect invasive mangrove distributions and to discriminate mangroves from surrounding terrestrial vegetation. Using three analytical techniques, we compared mangrove mapping accuracy for various sensor-technique combinations. ANOVA of accuracy assessments demonstrated significant differences among techniques, but no significant differences among the three sensors. We summarize advantages and disadvantages of each sensor and technique for mapping mangrove distributions in tropical coastal environments.

Visualization techniques for computer network defense

NASA Astrophysics Data System (ADS)

Beaver, Justin M.; Steed, Chad A.; Patton, Robert M.; Cui, Xiaohui; Schultz, Matthew

2011-06-01

Effective visual analysis of computer network defense (CND) information is challenging due to the volume and complexity of both the raw and analyzed network data. A typical CND is comprised of multiple niche intrusion detection tools, each of which performs network data analysis and produces a unique alerting output. The state-of-the-practice in the situational awareness of CND data is the prevalent use of custom-developed scripts by Information Technology (IT) professionals to retrieve, organize, and understand potential threat events. We propose a new visual analytics framework, called the Oak Ridge Cyber Analytics (ORCA) system, for CND data that allows an operator to interact with all detection tool outputs simultaneously. Aggregated alert events are presented in multiple coordinated views with timeline, cluster, and swarm model analysis displays. These displays are complemented with both supervised and semi-supervised machine learning classifiers. The intent of the visual analytics framework is to improve CND situational awareness, to enable an analyst to quickly navigate and analyze thousands of detected events, and to combine sophisticated data analysis techniques with interactive visualization such that patterns of anomalous activities may be more easily identified and investigated.

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

Coletti, Chiara, E-mail: chiara.coletti@studenti.u

During the firing of bricks, mineralogical and textural transformations produce an artificial aggregate characterised by significant porosity. Particularly as regards pore-size distribution and the interconnection model, porosity is an important parameter to evaluate and predict the durability of bricks. The pore system is in fact the main element, which correlates building materials and their environment (especially in cases of aggressive weathering, e.g., salt crystallisation and freeze-thaw cycles) and determines their durability. Four industrial bricks with differing compositions and firing temperatures were analysed with “direct” and “indirect” techniques, traditional methods (mercury intrusion porosimetry, hydric tests, nitrogen adsorption) and new analytical approachesmore » based on digital image reconstruction of 2D and 3D models (back-scattered electrons and computerised X-ray micro-Tomography, respectively). The comparison of results from different analytical methods in the “overlapping ranges” of porosity and the careful reconstruction of a cumulative curve, allowed overcoming their specific limitations and achieving better knowledge on the pore system of bricks. - Highlights: •Pore-size distribution and structure of the pore system in four commercial bricks •A multi-analytical approach combining “direct” and “indirect” techniques •Traditional methods vs. new approaches based on 2D/3D digital image reconstruction •The use of “overlapping ranges” to overcome the limitations of various techniques.« less

Analysis and Experimental Investigation of Optimum Design of Thermoelectric Cooling/Heating System for Car Seat Climate Control (CSCC)

NASA Astrophysics Data System (ADS)

Elarusi, Abdulmunaem; Attar, Alaa; Lee, HoSung

2018-02-01

The optimum design of a thermoelectric system for application in car seat climate control has been modeled and its performance evaluated experimentally. The optimum design of the thermoelectric device combining two heat exchangers was obtained by using a newly developed optimization method based on the dimensional technique. Based on the analytical optimum design results, commercial thermoelectric cooler and heat sinks were selected to design and construct the climate control heat pump. This work focuses on testing the system performance in both cooling and heating modes to ensure accurate analytical modeling. Although the analytical performance was calculated using the simple ideal thermoelectric equations with effective thermoelectric material properties, it showed very good agreement with experiment for most operating conditions.

Dyes assay for measuring physicochemical parameters.

PubMed

Moczko, Ewa; Meglinski, Igor V; Bessant, Conrad; Piletsky, Sergey A

2009-03-15

A combination of selective fluorescent dyes has been developed for simultaneous quantitative measurements of several physicochemical parameters. The operating principle of the assay is similar to electronic nose and tongue systems, which combine nonspecific or semispecific elements for the determination of diverse analytes and chemometric techniques for multivariate data analysis. The analytical capability of the proposed mixture is engendered by changes in fluorescence signal in response to changes in environment such as pH, temperature, ionic strength, and presence of oxygen. The signal is detected by a three-dimensional spectrofluorimeter, and the acquired data are processed using an artificial neural network (ANN) for multivariate calibration. The fluorescence spectrum of a solution of selected dyes allows discreet reading of emission maxima of all dyes composing the mixture. The variations in peaks intensities caused by environmental changes provide distinctive fluorescence patterns which can be handled in the same way as the signals collected from nose/tongue electrochemical or piezoelectric devices. This optical system opens possibilities for rapid, inexpensive, real-time detection of a multitude of physicochemical parameters and analytes of complex samples.

Modal characteristics of a simplified brake rotor model using semi-analytical Rayleigh Ritz method

NASA Astrophysics Data System (ADS)

Zhang, F.; Cheng, L.; Yam, L. H.; Zhou, L. M.

2006-10-01

Emphasis of this paper is given to the modal characteristics of a brake rotor which is utilized in automotive disc brake system. The brake rotor is modeled as a combined structure comprising an annular plate connected to a segment of cylindrical shell by distributed artificial springs. Modal analysis shows the existence of three types of modes for the combined structure, depending on the involvement of each substructure. A decomposition technique is proposed, allowing each mode of the combined structure to be decomposed into a linear combination of the individual substructure modes. It is shown that the decomposition coefficients provide a direct and systematic means to carry out modal classification and quantification.

Towards an Airframe Noise Prediction Methodology: Survey of Current Approaches

NASA Technical Reports Server (NTRS)

Farassat, Fereidoun; Casper, Jay H.

2006-01-01

In this paper, we present a critical survey of the current airframe noise (AFN) prediction methodologies. Four methodologies are recognized. These are the fully analytic method, CFD combined with the acoustic analogy, the semi-empirical method and fully numerical method. It is argued that for the immediate need of the aircraft industry, the semi-empirical method based on recent high quality acoustic database is the best available method. The method based on CFD and the Ffowcs William- Hawkings (FW-H) equation with penetrable data surface (FW-Hpds ) has advanced considerably and much experience has been gained in its use. However, more research is needed in the near future particularly in the area of turbulence simulation. The fully numerical method will take longer to reach maturity. Based on the current trends, it is predicted that this method will eventually develop into the method of choice. Both the turbulence simulation and propagation methods need to develop more for this method to become useful. Nonetheless, the authors propose that the method based on a combination of numerical and analytical techniques, e.g., CFD combined with FW-H equation, should also be worked on. In this effort, the current symbolic algebra software will allow more analytical approaches to be incorporated into AFN prediction methods.

A multimodal microcharacterisation of trace-element zonation and crystallographic orientation in natural cassiterite by combining cathodoluminescence, EBSD, EPMA and contribution of confocal Raman-in-SEM imaging.

PubMed

Wille, G; Lerouge, C; Schmidt, U

2018-01-16

In cassiterite, tin is associated with metals (titanium, niobium, tantalum, indium, tungsten, iron, manganese, mercury). Knowledge of mineral chemistry and trace-element distribution is essential for: the understanding of ore formation, the exploration phase, the feasibility of ore treatment, and disposal/treatment of tailings after the exploitation phase. However, the availability of analytical methods make these characterisations difficult. We present a multitechnical approach to chemical and structural data that includes scanning electron microscopy (SEM)-based imaging and microanalysis techniques such as: secondary and backscattered electrons, cathodoluminescence (CL), electron probe microanalyser (EPMA), electron backscattered diffraction (EBSD) and confocal Raman-imaging integrated in a SEM (RISE). The presented results show the complementarity of the used analytical techniques. SEM, CL, EBSD, EPMA provide information from the interaction of an electron beam with minerals, leading to atomistic information about their composition, whereas RISE, Raman spectroscopy and imaging completes the studies with information about molecular vibrations, which are sensitive to structural modifications of the minerals. The correlation of Raman bands with the presence/absence of Nb, Ta, Fe (heterovalent substitution) and Ti (homovalent substitution) is established at a submicrometric scale. Combination of the different techniques makes it possible to establish a direct link between chemical and crystallographic data of cassiterite. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

Analytical Chemistry: A retrospective view on some current trends.

PubMed

Niessner, Reinhard

2018-04-01

In a retrospective view some current trends in Analytical Chemistry are outlined and connected to work published more than a hundred years ago in the same field. For example, gravimetric microanalysis after specific precipitation, once the sole basis for chemical analysis, has been transformed into a mass-sensitive transducer in combination with compound-specific receptors. Molecular spectroscopy, still practising the classical absorption/emission techniques for detecting elements or molecules experiences a change to Raman spectroscopy, is now allowing analysis of a multitude of additional features. Chemical sensors are now used to perform a vast number of analytical measurements. Especially paper-based devices (dipsticks, microfluidic pads) celebrate a revival as they can potentially revolutionize medicine in the developing world. Industry 4.0 will lead to a further increase of sensor applications. Preceding separation and enrichment of analytes from complicated matrices remains the backbone for a successful analysis, despite increasing attempts to avoid clean-up. Continuous separation techniques will become a key element for 24/7 production of goods with certified quality. Attempts to get instantaneous and specific chemical information by optical or electrical transduction will need highly selective receptors in large quantities. Further understanding of ligand - receptor complex structures is the key for successful generation of artificial bio-inspired receptors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Test and Analysis Capabilities of the Space Environment Effects Team at Marshall Space Flight Center

NASA Technical Reports Server (NTRS)

Finckenor, M. M.; Edwards, D. L.; Vaughn, J. A.; Schneider, T. A.; Hovater, M. A.; Hoppe, D. T.

2002-01-01

Marshall Space Flight Center has developed world-class space environmental effects testing facilities to simulate the space environment. The combined environmental effects test system exposes temperature-controlled samples to simultaneous protons, high- and low-energy electrons, vacuum ultraviolet (VUV) radiation, and near-ultraviolet (NUV) radiation. Separate chambers for studying the effects of NUV and VUV at elevated temperatures are also available. The Atomic Oxygen Beam Facility exposes samples to atomic oxygen of 5 eV energy to simulate low-Earth orbit (LEO). The LEO space plasma simulators are used to study current collection to biased spacecraft surfaces, arcing from insulators and electrical conductivity of materials. Plasma propulsion techniques are analyzed using the Marshall magnetic mirror system. The micro light gas gun simulates micrometeoroid and space debris impacts. Candidate materials and hardware for spacecraft can be evaluated for durability in the space environment with a variety of analytical techniques. Mass, solar absorptance, infrared emittance, transmission, reflectance, bidirectional reflectance distribution function, and surface morphology characterization can be performed. The data from the space environmental effects testing facilities, combined with analytical results from flight experiments, enable the Environmental Effects Group to determine optimum materials for use on spacecraft.

Positive matrix factorization as source apportionment of soil lead and cadmium around a battery plant (Changxing County, China).

PubMed

Xue, Jian-long; Zhi, Yu-you; Yang, Li-ping; Shi, Jia-chun; Zeng, Ling-zao; Wu, Lao-sheng

2014-06-01

Chemical compositions of soil samples are multivariate in nature and provide datasets suitable for the application of multivariate factor analytical techniques. One of the analytical techniques, the positive matrix factorization (PMF), uses a weighted least square by fitting the data matrix to determine the weights of the sources based on the error estimates of each data point. In this research, PMF was employed to apportion the sources of heavy metals in 104 soil samples taken within a 1-km radius of a lead battery plant contaminated site in Changxing County, Zhejiang Province, China. The site is heavily contaminated with high concentrations of lead (Pb) and cadmium (Cd). PMF successfully partitioned the variances into sources related to soil background, agronomic practices, and the lead battery plants combined with a geostatistical approach. It was estimated that the lead battery plants and the agronomic practices contributed 55.37 and 29.28%, respectively, for soil Pb of the total source. Soil Cd mainly came from the lead battery plants (65.92%), followed by the agronomic practices (21.65%), and soil parent materials (12.43%). This research indicates that PMF combined with geostatistics is a useful tool for source identification and apportionment.

Terrain modeling for microwave landing system

NASA Technical Reports Server (NTRS)

Poulose, M. M.

1991-01-01

A powerful analytical approach for evaluating the terrain effects on a microwave landing system (MLS) is presented. The approach combines a multiplate model with a powerful and exhaustive ray tracing technique and an accurate formulation for estimating the electromagnetic fields due to the antenna array in the presence of terrain. Both uniform theory of diffraction (UTD) and impedance UTD techniques have been employed to evaluate these fields. Innovative techniques are introduced at each stage to make the model versatile to handle most general terrain contours and also to reduce the computational requirement to a minimum. The model is applied to several terrain geometries, and the results are discussed.

A Combined FEM/MoM/GTD Technique To Analyze Elliptically Polarized Cavity-Backed Antennas With Finite Ground Plane

NASA Technical Reports Server (NTRS)

Reddy, C. J.; Deshpande, M. D.; Fralick, D. T.; Cockrell, C. R.; Beck, F. B.

1996-01-01

Radiation pattern prediction analysis of elliptically polarized cavity-backed aperture antennas in a finite ground plane is performed using a combined Finite Element Method/Method of Moments/Geometrical Theory of Diffraction (FEM/MoM/GTD) technique. The magnetic current on the cavity-backed aperture in an infinite ground plane is calculated using the combined FEM/MoM analysis. GTD, including the slope diffraction contribution, is used to calculate the diffracted fields caused by both soft and hard polarizations at the edges of the finite ground plane. Explicit expressions for regular diffraction coefficients and slope diffraction coefficients are presented. The slope of the incident magnetic field at the diffraction points is derived and analytical expressions are presented. Numerical results for the radiation patterns of a cavity-backed circular spiral microstrip patch antenna excited by a coaxial probe in a finite rectangular ground plane are computed and compared with experimental results.

Multiclass Bayes error estimation by a feature space sampling technique

NASA Technical Reports Server (NTRS)

Mobasseri, B. G.; Mcgillem, C. D.

1979-01-01

A general Gaussian M-class N-feature classification problem is defined. An algorithm is developed that requires the class statistics as its only input and computes the minimum probability of error through use of a combined analytical and numerical integration over a sequence simplifying transformations of the feature space. The results are compared with those obtained by conventional techniques applied to a 2-class 4-feature discrimination problem with results previously reported and 4-class 4-feature multispectral scanner Landsat data classified by training and testing of the available data.

Analytical techniques for steroid estrogens in water samples - A review.

PubMed

Fang, Ting Yien; Praveena, Sarva Mangala; deBurbure, Claire; Aris, Ahmad Zaharin; Ismail, Sharifah Norkhadijah Syed; Rasdi, Irniza

2016-12-01

In recent years, environmental concerns over ultra-trace levels of steroid estrogens concentrations in water samples have increased because of their adverse effects on human and animal life. Special attention to the analytical techniques used to quantify steroid estrogens in water samples is therefore increasingly important. The objective of this review was to present an overview of both instrumental and non-instrumental analytical techniques available for the determination of steroid estrogens in water samples, evidencing their respective potential advantages and limitations using the Need, Approach, Benefit, and Competition (NABC) approach. The analytical techniques highlighted in this review were instrumental and non-instrumental analytical techniques namely gas chromatography mass spectrometry (GC-MS), liquid chromatography mass spectrometry (LC-MS), enzyme-linked immuno sorbent assay (ELISA), radio immuno assay (RIA), yeast estrogen screen (YES) assay, and human breast cancer cell line proliferation (E-screen) assay. The complexity of water samples and their low estrogenic concentrations necessitates the use of highly sensitive instrumental analytical techniques (GC-MS and LC-MS) and non-instrumental analytical techniques (ELISA, RIA, YES assay and E-screen assay) to quantify steroid estrogens. Both instrumental and non-instrumental analytical techniques have their own advantages and limitations. However, the non-instrumental ELISA analytical techniques, thanks to its lower detection limit and simplicity, its rapidity and cost-effectiveness, currently appears to be the most reliable for determining steroid estrogens in water samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

Analytical investigation of thermal barrier coatings for advanced power generation combustion turbines

NASA Technical Reports Server (NTRS)

Amos, D. J.

1977-01-01

An analytical evaluation was conducted to determine quantitatively the improvement potential in cycle efficiency and cost of electricity made possible by the introduction of thermal barrier coatings to power generation combustion turbine systems. The thermal barrier system, a metallic bond coat and yttria stabilized zirconia outer layer applied by plasma spray techniques, acts as a heat insulator to provide substantial metal temperature reductions below that of the exposed thermal barrier surface. The study results show the thermal barrier to be a potentially attractive means for improving performance and reducing cost of electricity for the simple, recuperated, and combined cycles evaluated.

Service Bundle Recommendation for Person-Centered Care Planning in Cities.

PubMed

Kotoulas, Spyros; Daly, Elizabeth; Tommasi, Pierpaolo; Kishimoto, Akihiro; Lopez, Vanessa; Stephenson, Martin; Botea, Adi; Sbodio, Marco; Marinescu, Radu; Rooney, Ronan

2016-01-01

Providing appropriate support for the most vulnerable individuals carries enormous societal significance and economic burden. Yet, finding the right balance between costs, estimated effectiveness and the experience of the care recipient is a daunting task that requires considering vast amount of information. We present a system that helps care teams choose the optimal combination of providers for a set of services. We draw from techniques in Open Data processing, semantic processing, faceted exploration, visual analytics, transportation analytics and multi-objective optimization. We present an implementation of the system using data from New York City and illustrate the feasibility these technologies to guide care workers in care planning.

Single Particle Analysis by Combined Chemical Imaging to Study Episodic Air Pollution Events in Vienna

NASA Astrophysics Data System (ADS)

Ofner, Johannes; Eitenberger, Elisabeth; Friedbacher, Gernot; Brenner, Florian; Hutter, Herbert; Schauer, Gerhard; Kistler, Magdalena; Greilinger, Marion; Lohninger, Hans; Lendl, Bernhard; Kasper-Giebl, Anne

2017-04-01

The aerosol composition of a city like Vienna is characterized by a complex interaction of local emissions and atmospheric input on a regional and continental scale. The identification of major aerosol constituents for basic source appointment and air quality issues needs a high analytical effort. Exceptional episodic air pollution events strongly change the typical aerosol composition of a city like Vienna on a time-scale of few hours to several days. Analyzing the chemistry of particulate matter from these events is often hampered by the sampling time and related sample amount necessary to apply the full range of bulk analytical methods needed for chemical characterization. Additionally, morphological and single particle features are hardly accessible. Chemical Imaging evolved to a powerful tool for image-based chemical analysis of complex samples. As a complementary technique to bulk analytical methods, chemical imaging can address a new access to study air pollution events by obtaining major aerosol constituents with single particle features at high temporal resolutions and small sample volumes. The analysis of the chemical imaging datasets is assisted by multivariate statistics with the benefit of image-based chemical structure determination for direct aerosol source appointment. A novel approach in chemical imaging is combined chemical imaging or so-called multisensor hyperspectral imaging, involving elemental imaging (electron microscopy-based energy dispersive X-ray imaging), vibrational imaging (Raman micro-spectroscopy) and mass spectrometric imaging (Time-of-Flight Secondary Ion Mass Spectrometry) with subsequent combined multivariate analytics. Combined chemical imaging of precipitated aerosol particles will be demonstrated by the following examples of air pollution events in Vienna: Exceptional episodic events like the transformation of Saharan dust by the impact of the city of Vienna will be discussed and compared to samples obtained at a high alpine background site (Sonnblick Observatory, Saharan Dust Event from April 2016). Further, chemical imaging of biological aerosol constituents of an autumnal pollen breakout in Vienna, with background samples from nearby locations from November 2016 will demonstrate the advantages of the chemical imaging approach. Additionally, the chemical fingerprint of an exceptional air pollution event from a local emission source, caused by the pull down process of a building in Vienna will unravel the needs for multisensor imaging, especially the combinational access. Obtained chemical images will be correlated to bulk analytical results. Benefits of the overall methodical access by combining bulk analytics and combined chemical imaging of exceptional episodic air pollution events will be discussed.

Rethinking Visual Analytics for Streaming Data Applications

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

Crouser, R. Jordan; Franklin, Lyndsey; Cook, Kris

In the age of data science, the use of interactive information visualization techniques has become increasingly ubiquitous. From online scientific journals to the New York Times graphics desk, the utility of interactive visualization for both storytelling and analysis has become ever more apparent. As these techniques have become more readily accessible, the appeal of combining interactive visualization with computational analysis continues to grow. Arising out of a need for scalable, human-driven analysis, primary objective of visual analytics systems is to capitalize on the complementary strengths of human and machine analysis, using interactive visualization as a medium for communication between themore » two. These systems leverage developments from the fields of information visualization, computer graphics, machine learning, and human-computer interaction to support insight generation in areas where purely computational analyses fall short. Over the past decade, visual analytics systems have generated remarkable advances in many historically challenging analytical contexts. These include areas such as modeling political systems [Crouser et al. 2012], detecting financial fraud [Chang et al. 2008], and cybersecurity [Harrison et al. 2012]. In each of these contexts, domain expertise and human intuition is a necessary component of the analysis. This intuition is essential to building trust in the analytical products, as well as supporting the translation of evidence into actionable insight. In addition, each of these examples also highlights the need for scalable analysis. In each case, it is infeasible for a human analyst to manually assess the raw information unaided, and the communication overhead to divide the task between a large number of analysts makes simple parallelism intractable. Regardless of the domain, visual analytics tools strive to optimize the allocation of human analytical resources, and to streamline the sensemaking process on data that is massive, complex, incomplete, and uncertain in scenarios requiring human judgment.« less

Attenuated total reflectance FT-IR imaging and quantitative energy dispersive-electron probe X-ray microanalysis techniques for single particle analysis of atmospheric aerosol particles.

PubMed

Ryu, JiYeon; Ro, Chul-Un

2009-08-15

This work demonstrates the practical applicability of the combined use of attenuated total reflectance (ATR) FT-IR imaging and low-Z particle electron probe X-ray microanalysis (EPMA) techniques for the characterization of individual aerosol particles. These two single particle analytical techniques provide complementary information on the physicochemical characteristics of the same individual particles, that is, the low-Z particle EPMA for the information on the morphology and elemental concentration and the ATR-FT-IR imaging on the functional group, molecular species, and crystal structure. It was confirmed that the ATR-FT-IR imaging technique can provide sufficient FT-IR absorption signals to perform molecular speciation of individual particles of micrometer size when applied to artificially generated aerosol particles such as ascorbic acid and NaNO(3) aerosols. An exemplar indoor atmospheric aerosol sample was investigated to demonstrate the practical feasibility of the combined application of ATR-FT-IR imaging and low-Z particle EPMA techniques for the characterization of individual airborne particles.

Full analytical solution of the bloch equation when using a hyperbolic-secant driving function.

PubMed

Zhang, Jinjin; Garwood, Michael; Park, Jang-Yeon

2017-04-01

The frequency-swept pulse known as the hyperbolic-secant (HS) pulse is popular in NMR for achieving adiabatic spin inversion. The HS pulse has also shown utility for achieving excitation and refocusing in gradient-echo and spin-echo sequences, including new ultrashort echo-time imaging (e.g., Sweep Imaging with Fourier Transform, SWIFT) and B 1 mapping techniques. To facilitate the analysis of these techniques, the complete theoretical solution of the Bloch equation, as driven by the HS pulse, was derived for an arbitrary state of initial magnetization. The solution of the Bloch-Riccati equation for transverse and longitudinal magnetization for an arbitrary initial state was derived analytically in terms of HS pulse parameters. The analytical solution was compared with the solutions using both the Runge-Kutta method and the small-tip approximation. The analytical solution was demonstrated on different initial states at different frequency offsets with/without a combination of HS pulses. Evolution of the transverse magnetization was influenced significantly by the choice of HS pulse parameters. The deviation of the magnitude of the transverse magnetization, as obtained by comparing the small-tip approximation to the analytical solution, was < 5% for flip angles < 30 °, but > 10% for the flip angles > 40 °. The derived analytical solution provides insights into the influence of HS pulse parameters on the magnetization evolution. Magn Reson Med 77:1630-1638, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

AAA and AXB algorithms for the treatment of nasopharyngeal carcinoma using IMRT and RapidArc techniques.

PubMed

Kamaleldin, Maha; Elsherbini, Nader A; Elshemey, Wael M

2017-09-27

The aim of this study is to evaluate the impact of anisotropic analytical algorithm (AAA) and 2 reporting systems (AXB-D m and AXB-D w ) of Acuros XB algorithm (AXB) on clinical plans of nasopharyngeal patients using intensity-modulated radiotherapy (IMRT) and RapidArc (RA) techniques. Six plans of different algorithm-technique combinations are performed for 10 patients to calculate dose-volume histogram (DVH) physical parameters for planning target volumes (PTVs) and organs at risk (OARs). The number of monitor units (MUs) and calculation time are also determined. Good coverage is reported for all algorithm-technique combination plans without exceeding the tolerance for OARs. Regardless of the algorithm, RA plans persistently reported higher D 2% values for PTV-70. All IMRT plans reported higher number of MUs (especially with AXB) than did RA plans. AAA-IMRT produced the minimum calculation time of all plans. Major differences between the investigated algorithm-technique combinations are reported only for the number of MUs and calculation time parameters. In terms of these 2 parameters, it is recommended to employ AXB in calculating RA plans and AAA in calculating IMRT plans to achieve minimum calculation times at reduced number of MUs. Copyright © 2017 American Association of Medical Dosimetrists. Published by Elsevier Inc. All rights reserved.

Transient well flow in vertically heterogeneous aquifers

NASA Astrophysics Data System (ADS)

Hemker, C. J.

1999-11-01

A solution for the general problem of computing well flow in vertically heterogeneous aquifers is found by an integration of both analytical and numerical techniques. The radial component of flow is treated analytically; the drawdown is a continuous function of the distance to the well. The finite-difference technique is used for the vertical flow component only. The aquifer is discretized in the vertical dimension and the heterogeneous aquifer is considered to be a layered (stratified) formation with a finite number of homogeneous sublayers, where each sublayer may have different properties. The transient part of the differential equation is solved with Stehfest's algorithm, a numerical inversion technique of the Laplace transform. The well is of constant discharge and penetrates one or more of the sublayers. The effect of wellbore storage on early drawdown data is taken into account. In this way drawdowns are found for a finite number of sublayers as a continuous function of radial distance to the well and of time since the pumping started. The model is verified by comparing results with published analytical and numerical solutions for well flow in homogeneous and heterogeneous, confined and unconfined aquifers. Instantaneous and delayed drainage of water from above the water table are considered, combined with the effects of partially penetrating and finite-diameter wells. The model is applied to demonstrate that the transient effects of wellbore storage in unconfined aquifers are less pronounced than previous numerical experiments suggest. Other applications of the presented solution technique are given for partially penetrating wells in heterogeneous formations, including a demonstration of the effect of decreasing specific storage values with depth in an otherwise homogeneous aquifer. The presented solution can be a powerful tool for the analysis of drawdown from pumping tests, because hydraulic properties of layered heterogeneous aquifer systems with partially penetrating wells may be estimated without the need to construct transient numerical models. A computer program based on the hybrid analytical-numerical technique is available from the author.

Design and fabrication of planar structures with graded electromagnetic properties

NASA Astrophysics Data System (ADS)

Good, Brandon Lowell

Successfully integrating electromagnetic properties in planar structures offers numerous benefits to the microwave and optical communities. This work aims at formulating new analytic and optimized design methods, creating new fabrication techniques for achieving those methods, and matching appropriate implementation of methods to fabrication techniques. The analytic method consists of modifying an approach that realizes perfect antireflective properties from graded profiles. This method is shown for all-dielectric and magneto-dielectric grading profiles. The optimized design methods are applied to transformer (discrete) or taper (continuous) designs. From these methods, a subtractive and an additive manufacturing technique were established and are described. The additive method, dry powder dot deposition, enables three dimensional varying electromagnetic properties in a structural composite. Combining the methods and fabrication is shown in two applied methodologies. The first uses dry powder dot deposition to design one dimensionally graded electromagnetic profiles in a planar fiberglass composite. The second method simultaneously applies antireflective properties and adjusts directivity through a slab through the use of subwavelength structures to achieve a flat antireflective lens. The end result of this work is a complete set of methods, formulations, and fabrication techniques to achieve integrated electromagnetic properties in planar structures.

Surface Plasmon Resonance-Based Fiber Optic Sensors Utilizing Molecular Imprinting

PubMed Central

Gupta, Banshi D.; Shrivastav, Anand M.; Usha, Sruthi P.

2016-01-01

Molecular imprinting is earning worldwide attention from researchers in the field of sensing and diagnostic applications, due to its properties of inevitable specific affinity for the template molecule. The fabrication of complementary template imprints allows this technique to achieve high selectivity for the analyte to be sensed. Sensors incorporating this technique along with surface plasmon or localized surface plasmon resonance (SPR/LSPR) provide highly sensitive real time detection with quick response times. Unfolding these techniques with optical fiber provide the additional advantages of miniaturized probes with ease of handling, online monitoring and remote sensing. In this review a summary of optical fiber sensors using the combined approaches of molecularly imprinted polymer (MIP) and the SPR/LSPR technique is discussed. An overview of the fundamentals of SPR/LSPR implementation on optical fiber is provided. The review also covers the molecular imprinting technology (MIT) with its elementary study, synthesis procedures and its applications for chemical and biological anlayte detection with different sensing methods. In conclusion, we explore the advantages, challenges and the future perspectives of developing highly sensitive and selective methods for the detection of analytes utilizing MIT with the SPR/LSPR phenomenon on optical fiber platforms. PMID:27589746

Comprehensive two-dimensional gas chromatography and food sensory properties: potential and challenges.

PubMed

Cordero, Chiara; Kiefl, Johannes; Schieberle, Peter; Reichenbach, Stephen E; Bicchi, Carlo

2015-01-01

Modern omics disciplines dealing with food flavor focus the analytical efforts on the elucidation of sensory-active compounds, including all possible stimuli of multimodal perception (aroma, taste, texture, etc.) by means of a comprehensive, integrated treatment of sample constituents, such as physicochemical properties, concentration in the matrix, and sensory properties (odor/taste quality, perception threshold). Such analyses require detailed profiling of known bioactive components as well as advanced fingerprinting techniques to catalog sample constituents comprehensively, quantitatively, and comparably across samples. Multidimensional analytical platforms support comprehensive investigations required for flavor analysis by combining information on analytes' identities, physicochemical behaviors (volatility, polarity, partition coefficient, and solubility), concentration, and odor quality. Unlike other omics, flavor metabolomics and sensomics include the final output of the biological phenomenon (i.e., sensory perceptions) as an additional analytical dimension, which is specifically and exclusively triggered by the chemicals analyzed. However, advanced omics platforms, which are multidimensional by definition, pose challenging issues not only in terms of coupling with detection systems and sample preparation, but also in terms of data elaboration and processing. The large number of variables collected during each analytical run provides a high level of information, but requires appropriate strategies to exploit fully this potential. This review focuses on advances in comprehensive two-dimensional gas chromatography and analytical platforms combining two-dimensional gas chromatography with olfactometry, chemometrics, and quantitative assays for food sensory analysis to assess the quality of a given product. We review instrumental advances and couplings, automation in sample preparation, data elaboration, and a selection of applications.

Assessment of occupational exposure to asbestos fibers: Contribution of analytical transmission electron microscopy analysis and comparison with phase-contrast microscopy.

PubMed

Eypert-Blaison, Céline; Romero-Hariot, Anita; Clerc, Frédéric; Vincent, Raymond

2018-03-01

From November 2009 to October 2010, the French general directorate for labor organized a large field-study using analytical transmission electron microscopy (ATEM) to characterize occupational exposure to asbestos fibers during work on asbestos containing materials (ACM). The primary objective of this study was to establish a method and to validate the feasibility of using ATEM for the analysis of airborne asbestos of individual filters sampled in various occupational environments. For each sampling event, ATEM data were compared to those obtained by phase-contrast optical microscopy (PCOM), the WHO-recommended reference technique. A total of 265 results were obtained from 29 construction sites where workers were in contact with ACM. Data were sorted depending on the combination of the ACM type and the removal technique. For each "ACM-removal technique" combination, ATEM data were used to compute statistical indicators on short, fine and WHO asbestos fibers. Moreover, exposure was assessed taking into account the use of respiratory protective devices (RPD). As in previous studies, no simple relationship was found between results by PCOM and ATEM counting methods. Some ACM, such as asbestos-containing plasters, generated very high dust levels, and some techniques generated considerable levels of dust whatever the ACM treated. On the basis of these observations, recommendations were made to measure and control the occupational exposure limit. General prevention measures to be taken during work with ACM are also suggested. Finally, it is necessary to continue acquiring knowledge, in particular regarding RPD and the dust levels measured by ATEM for the activities not evaluated during this study.

Response Time Analysis and Test of Protection System Instrument Channels for APR1400 and OPR1000

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

Lee, Chang Jae; Han, Seung; Yun, Jae Hee

2015-07-01

Safety limits are required to maintain the integrity of physical barriers designed to prevent the uncontrolled release of radioactive materials in nuclear power plants. The safety analysis establishes two critical constraints that include an analytical limit in terms of a measured or calculated variable, and a specific time after the analytical limit is reached to begin protective action. Keeping with the nuclear regulations and industry standards, satisfying these two requirements will ensure that the safety limit will not be exceeded during the design basis event, either an anticipated operational occurrence or a postulated accident. Various studies on the setpoint determinationmore » methodology for the safety-related instrumentation have been actively performed to ensure that the requirement of the analytical limit is satisfied. In particular, the protection setpoint methodology for the advanced power reactor 1400 (APP1400) and the optimized power reactor 1000 (OPR1000) has been recently developed to cover both the design basis event and the beyond design basis event. The developed setpoint methodology has also been quantitatively validated using specific computer programs and setpoint calculations. However, the safety of nuclear power plants cannot be fully guaranteed by satisfying the requirement of the analytical limit. In spite of the response time verification requirements of nuclear regulations and industry standards, it is hard to find the studies on the systematically integrated methodology regarding the response time evaluation. In cases of APR1400 and OPR1000, the response time analysis for the plant protection system is partially included in the setpoint calculation and the response time test is separately performed via the specific plant procedure. The test technique has a drawback which is the difficulty to demonstrate completeness of timing test. The analysis technique has also a demerit of resulting in extreme times that not actually possible. Thus, the establishment of the systematic response time evaluation methodology is needed to justify the conformance to the response time requirement used in the safety analysis. This paper proposes the response time evaluation methodology for APR1400 and OPR1000 using the combined analysis and test technique to confirm that the plant protection system can meet the analytical response time assumed in the safety analysis. In addition, the results of the quantitative evaluation performed for APR1400 and OPR1000 are presented in this paper. The proposed response time analysis technique consists of defining the response time requirement, determining the critical signal path for the trip parameter, allocating individual response time to each component on the signal path, and analyzing the total response time for the trip parameter, and demonstrates that the total analyzed response time does not exceed the response time requirement. The proposed response time test technique is composed of defining the response time requirement, determining the critical signal path for the trip parameter, determining the test method for each component on the signal path, performing the response time test, and demonstrates that the total test result does not exceed the response time requirement. The total response time should be tested in a single test that covers from the sensor to the final actuation device on the instrument channel. When the total channel is not tested in a single test, separate tests on groups of components or single components including the total instrument channel shall be combined to verify the total channel response. For APR1400 and OPR1000, the ramp test technique is used for the pressure and differential pressure transmitters and the step function testing technique is applied to the signal processing equipment and final actuation device. As a result, it can be demonstrated that the response time requirement is satisfied by the combined analysis and test technique. Therefore, the proposed methodology in this paper plays a crucial role in guaranteeing the safety of the nuclear power plants systematically satisfying one of two critical requirements from the safety analysis. (authors)« less

Optical Drug Monitoring: Photoacoustic Imaging of Nanosensors to Monitor Therapeutic Lithium In Vivo

PubMed Central

Cash, Kevin J.; Li, Chiye; Xia, Jun; Wang, Lihong V.; Clark, Heather A.

2015-01-01

Personalized medicine could revolutionize how primary care physicians treat chronic disease and how researchers study fundamental biological questions. To realize this goal we need to develop more robust, modular tools and imaging approaches for in vivo monitoring of analytes. In this report, we demonstrate that synthetic nanosensors can measure physiologic parameters with photoacoustic contrast, and we apply that platform to continuously track lithium levels in vivo. Photoacoustic imaging achieves imaging depths that are unattainable with fluorescence or multiphoton microscopy. We validated the photoacoustic results that illustrate the superior imaging depth and quality of photoacoustic imaging with optical measurements. This powerful combination of techniques will unlock the ability to measure analyte changes in deep tissue and will open up photoacoustic imaging as a diagnostic tool for continuous physiological tracking of a wide range of analytes. PMID:25588028

Optical drug monitoring: photoacoustic imaging of nanosensors to monitor therapeutic lithium in vivo.

PubMed

Cash, Kevin J; Li, Chiye; Xia, Jun; Wang, Lihong V; Clark, Heather A

2015-02-24

Personalized medicine could revolutionize how primary care physicians treat chronic disease and how researchers study fundamental biological questions. To realize this goal, we need to develop more robust, modular tools and imaging approaches for in vivo monitoring of analytes. In this report, we demonstrate that synthetic nanosensors can measure physiologic parameters with photoacoustic contrast, and we apply that platform to continuously track lithium levels in vivo. Photoacoustic imaging achieves imaging depths that are unattainable with fluorescence or multiphoton microscopy. We validated the photoacoustic results that illustrate the superior imaging depth and quality of photoacoustic imaging with optical measurements. This powerful combination of techniques will unlock the ability to measure analyte changes in deep tissue and will open up photoacoustic imaging as a diagnostic tool for continuous physiological tracking of a wide range of analytes.

A computer program for cyclic plasticity and structural fatigue analysis

NASA Technical Reports Server (NTRS)

Kalev, I.

1980-01-01

A computerized tool for the analysis of time independent cyclic plasticity structural response, life to crack initiation prediction, and crack growth rate prediction for metallic materials is described. Three analytical items are combined: the finite element method with its associated numerical techniques for idealization of the structural component, cyclic plasticity models for idealization of the material behavior, and damage accumulation criteria for the fatigue failure.

Pesticide Multiresidue Analysis in Cereal Grains Using Modified QuEChERS Method Combined with Automated Direct Sample Introduction GC-TOFMS and UPLC-MS/MS Techniques

USDA-ARS?s Scientific Manuscript database

The QuEChERS (quick, easy, cheap, effective, rugged, and safe) sample preparation method was modified to accommodate various cereal grain matrices (corn, oat, rice and wheat) and provide good analytical results (recoveries in the range of 70-120% and RSDs <20%) for the majority of the target pestici...

A dipole-assisted solid-phase extraction microchip combined with inductively coupled plasma-mass spectrometry for online determination of trace heavy metals in natural water.

PubMed

Shih, Tsung-Ting; Hsu, I-Hsiang; Chen, Shun-Niang; Chen, Ping-Hung; Deng, Ming-Jay; Chen, Yu; Lin, Yang-Wei; Sun, Yuh-Chang

2015-01-21

We employed a polymeric material, poly(methyl methacrylate) (PMMA), for fabricating a microdevice and then implanted the chlorine (Cl)-containing solid-phase extraction (SPE) functionality into the PMMA chip to develop an innovative on-chip dipole-assisted SPE technique. Instead of the ion-ion interactions utilized in on-chip SPE techniques, the dipole-ion interactions between the highly electronegative C-Cl moieties in the channel interior and the positively charged metal ions were employed to facilitate the on-chip SPE procedures. Furthermore, to avoid labor-intensive manual manipulation, a programmable valve manifold was designed as an interface combining the dipole-assisted SPE microchip and inductively coupled plasma-mass spectrometry (ICP-MS) to achieve the fully automated operation. Under the optimized operation conditions for the established system, the detection limits for each analyte ion were obtained based on three times the standard deviation of seven measurements of the blank eluent solution. The limits ranged from 3.48 to 20.68 ng L(-1), suggesting that this technique appears uniquely suited for determining the levels of heavy metal ions in natural water. Indeed, a series of validation procedures demonstrated that the developed method could be satisfactorily applied to the determination of trace heavy metals in natural water. Remarkably, the developed device was durable enough to be reused more than 160 times without any loss in its analytical performance. To the best of our knowledge, this is the first study reporting on the combination of a dipole-assisted SPE microchip and elemental analysis instrument for the online determination of trace heavy metal ions.

Decision-analytic modeling studies: An overview for clinicians using multiple myeloma as an example.

PubMed

Rochau, U; Jahn, B; Qerimi, V; Burger, E A; Kurzthaler, C; Kluibenschaedl, M; Willenbacher, E; Gastl, G; Willenbacher, W; Siebert, U

2015-05-01

The purpose of this study was to provide a clinician-friendly overview of decision-analytic models evaluating different treatment strategies for multiple myeloma (MM). We performed a systematic literature search to identify studies evaluating MM treatment strategies using mathematical decision-analytic models. We included studies that were published as full-text articles in English, and assessed relevant clinical endpoints, and summarized methodological characteristics (e.g., modeling approaches, simulation techniques, health outcomes, perspectives). Eleven decision-analytic modeling studies met our inclusion criteria. Five different modeling approaches were adopted: decision-tree modeling, Markov state-transition modeling, discrete event simulation, partitioned-survival analysis and area-under-the-curve modeling. Health outcomes included survival, number-needed-to-treat, life expectancy, and quality-adjusted life years. Evaluated treatment strategies included novel agent-based combination therapies, stem cell transplantation and supportive measures. Overall, our review provides a comprehensive summary of modeling studies assessing treatment of MM and highlights decision-analytic modeling as an important tool for health policy decision making. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Extended analytical formulas for the perturbed Keplerian motion under a constant control acceleration

NASA Astrophysics Data System (ADS)

Zuiani, Federico; Vasile, Massimiliano

2015-03-01

This paper presents a set of analytical formulae for the perturbed Keplerian motion of a spacecraft under the effect of a constant control acceleration. The proposed set of formulae can treat control accelerations that are fixed in either a rotating or inertial reference frame. Moreover, the contribution of the zonal harmonic is included in the analytical formulae. It will be shown that the proposed analytical theory allows for the fast computation of long, multi-revolution spirals while maintaining good accuracy. The combined effect of different perturbations and of the shadow regions due to solar eclipse is also included. Furthermore, a simplified control parameterisation is introduced to optimise thrusting patterns with two thrust arcs and two cost arcs per revolution. This simple parameterisation is shown to ensure enough flexibility to describe complex low thrust spirals. The accuracy and speed of the proposed analytical formulae are compared against a full numerical integration with different integration schemes. An averaging technique is then proposed as an application of the analytical formulae. Finally, the paper presents an example of design of an optimal low-thrust spiral to transfer a spacecraft from an elliptical to a circular orbit around the Earth.

The role of analytical chemistry in Niger Delta petroleum exploration: a review.

PubMed

Akinlua, Akinsehinwa

2012-06-12

Petroleum and organic matter from which the petroleum is derived are composed of organic compounds with some trace elements. These compounds give an insight into the origin, thermal maturity and paleoenvironmental history of petroleum, which are essential elements in petroleum exploration. The main tool to acquire the geochemical data is analytical techniques. Due to progress in the development of new analytical techniques, many hitherto petroleum exploration problems have been resolved. Analytical chemistry has played a significant role in the development of petroleum resources of Niger Delta. Various analytical techniques that have aided the success of petroleum exploration in the Niger Delta are discussed. The analytical techniques that have helped to understand the petroleum system of the basin are also described. Recent and emerging analytical methodologies including green analytical methods as applicable to petroleum exploration particularly Niger Delta petroleum province are discussed in this paper. Analytical chemistry is an invaluable tool in finding the Niger Delta oils. Copyright © 2011 Elsevier B.V. All rights reserved.

Analytical techniques: A compilation

NASA Technical Reports Server (NTRS)

1975-01-01

A compilation, containing articles on a number of analytical techniques for quality control engineers and laboratory workers, is presented. Data cover techniques for testing electronic, mechanical, and optical systems, nondestructive testing techniques, and gas analysis techniques.

Visualization Techniques for Computer Network Defense

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

Beaver, Justin M; Steed, Chad A; Patton, Robert M

2011-01-01

Effective visual analysis of computer network defense (CND) information is challenging due to the volume and complexity of both the raw and analyzed network data. A typical CND is comprised of multiple niche intrusion detection tools, each of which performs network data analysis and produces a unique alerting output. The state-of-the-practice in the situational awareness of CND data is the prevalent use of custom-developed scripts by Information Technology (IT) professionals to retrieve, organize, and understand potential threat events. We propose a new visual analytics framework, called the Oak Ridge Cyber Analytics (ORCA) system, for CND data that allows an operatormore » to interact with all detection tool outputs simultaneously. Aggregated alert events are presented in multiple coordinated views with timeline, cluster, and swarm model analysis displays. These displays are complemented with both supervised and semi-supervised machine learning classifiers. The intent of the visual analytics framework is to improve CND situational awareness, to enable an analyst to quickly navigate and analyze thousands of detected events, and to combine sophisticated data analysis techniques with interactive visualization such that patterns of anomalous activities may be more easily identified and investigated.« less

Comparative Characterization of Crofelemer Samples Using Data Mining and Machine Learning Approaches With Analytical Stability Data Sets.

PubMed

Nariya, Maulik K; Kim, Jae Hyun; Xiong, Jian; Kleindl, Peter A; Hewarathna, Asha; Fisher, Adam C; Joshi, Sangeeta B; Schöneich, Christian; Forrest, M Laird; Middaugh, C Russell; Volkin, David B; Deeds, Eric J

2017-11-01

There is growing interest in generating physicochemical and biological analytical data sets to compare complex mixture drugs, for example, products from different manufacturers. In this work, we compare various crofelemer samples prepared from a single lot by filtration with varying molecular weight cutoffs combined with incubation for different times at different temperatures. The 2 preceding articles describe experimental data sets generated from analytical characterization of fractionated and degraded crofelemer samples. In this work, we use data mining techniques such as principal component analysis and mutual information scores to help visualize the data and determine discriminatory regions within these large data sets. The mutual information score identifies chemical signatures that differentiate crofelemer samples. These signatures, in many cases, would likely be missed by traditional data analysis tools. We also found that supervised learning classifiers robustly discriminate samples with around 99% classification accuracy, indicating that mathematical models of these physicochemical data sets are capable of identifying even subtle differences in crofelemer samples. Data mining and machine learning techniques can thus identify fingerprint-type attributes of complex mixture drugs that may be used for comparative characterization of products. Copyright © 2017 American Pharmacists Association®. All rights reserved.

Bio-analytical applications of microbial fuel cell-based biosensors for onsite water quality monitoring.

PubMed

ElMekawy, A; Hegab, H M; Pant, D; Saint, C P

2018-01-01

Globally, sustainable provision of high-quality safe water is a major challenge of the 21st century. Various chemical and biological monitoring analytics are presently utilized to guarantee the availability of high-quality water. However, these techniques still face some challenges including high costs, complex design and onsite and online limitations. The recent technology of using microbial fuel cell (MFC)-based biosensors holds outstanding potential for the rapid and real-time monitoring of water source quality. MFCs have the advantages of simplicity in design and efficiency for onsite sensing. Even though some sensing applications of MFCs were previously studied, e.g. biochemical oxygen demand sensor, recently numerous research groups around the world have presented new practical applications of this technique, which combine multidisciplinary scientific knowledge in materials science, microbiology and electrochemistry fields. This review presents the most updated research on the utilization of MFCs as potential biosensors for monitoring water quality and considers the range of potentially toxic analytes that have so far been detected using this methodology. The advantages of MFCs over established technology are also considered as well as future work required to establish their routine use. © 2017 The Society for Applied Microbiology.

Algorithms for computing the geopotential using a simple density layer

NASA Technical Reports Server (NTRS)

Morrison, F.

1976-01-01

Several algorithms have been developed for computing the potential and attraction of a simple density layer. These are numerical cubature, Taylor series, and a mixed analytic and numerical integration using a singularity-matching technique. A computer program has been written to combine these techniques for computing the disturbing acceleration on an artificial earth satellite. A total of 1640 equal-area, constant surface density blocks on an oblate spheroid are used. The singularity-matching algorithm is used in the subsatellite region, Taylor series in the surrounding zone, and numerical cubature on the rest of the earth.

Finite element and analytical solutions for van der Pauw and four-point probe correction factors when multiple non-ideal measurement conditions coexist

NASA Astrophysics Data System (ADS)

Reveil, Mardochee; Sorg, Victoria C.; Cheng, Emily R.; Ezzyat, Taha; Clancy, Paulette; Thompson, Michael O.

2017-09-01

This paper presents an extensive collection of calculated correction factors that account for the combined effects of a wide range of non-ideal conditions often encountered in realistic four-point probe and van der Pauw experiments. In this context, "non-ideal conditions" refer to conditions that deviate from the assumptions on sample and probe characteristics made in the development of these two techniques. We examine the combined effects of contact size and sample thickness on van der Pauw measurements. In the four-point probe configuration, we examine the combined effects of varying the sample's lateral dimensions, probe placement, and sample thickness. We derive an analytical expression to calculate correction factors that account, simultaneously, for finite sample size and asymmetric probe placement in four-point probe experiments. We provide experimental validation of the analytical solution via four-point probe measurements on a thin film rectangular sample with arbitrary probe placement. The finite sample size effect is very significant in four-point probe measurements (especially for a narrow sample) and asymmetric probe placement only worsens such effects. The contribution of conduction in multilayer samples is also studied and found to be substantial; hence, we provide a map of the necessary correction factors. This library of correction factors will enable the design of resistivity measurements with improved accuracy and reproducibility over a wide range of experimental conditions.

Finite element and analytical solutions for van der Pauw and four-point probe correction factors when multiple non-ideal measurement conditions coexist.

PubMed

Reveil, Mardochee; Sorg, Victoria C; Cheng, Emily R; Ezzyat, Taha; Clancy, Paulette; Thompson, Michael O

2017-09-01

This paper presents an extensive collection of calculated correction factors that account for the combined effects of a wide range of non-ideal conditions often encountered in realistic four-point probe and van der Pauw experiments. In this context, "non-ideal conditions" refer to conditions that deviate from the assumptions on sample and probe characteristics made in the development of these two techniques. We examine the combined effects of contact size and sample thickness on van der Pauw measurements. In the four-point probe configuration, we examine the combined effects of varying the sample's lateral dimensions, probe placement, and sample thickness. We derive an analytical expression to calculate correction factors that account, simultaneously, for finite sample size and asymmetric probe placement in four-point probe experiments. We provide experimental validation of the analytical solution via four-point probe measurements on a thin film rectangular sample with arbitrary probe placement. The finite sample size effect is very significant in four-point probe measurements (especially for a narrow sample) and asymmetric probe placement only worsens such effects. The contribution of conduction in multilayer samples is also studied and found to be substantial; hence, we provide a map of the necessary correction factors. This library of correction factors will enable the design of resistivity measurements with improved accuracy and reproducibility over a wide range of experimental conditions.

Recent trends in sorption-based sample preparation and liquid chromatography techniques for food analysis.

PubMed

V Soares Maciel, Edvaldo; de Toffoli, Ana Lúcia; Lanças, Fernando Mauro

2018-04-20

The accelerated rising of the world's population increased the consumption of food, thus demanding more rigors in the control of residue and contaminants in food-based products marketed for human consumption. In view of the complexity of most food matrices, including fruits, vegetables, different types of meat, beverages, among others, a sample preparation step is important to provide more reliable results when combined with HPLC separations. An adequate sample preparation step before the chromatographic analysis is mandatory in obtaining higher precision and accuracy in order to improve the extraction of the target analytes, one of the priorities in analytical chemistry. The recent discovery of new materials such as ionic liquids, graphene-derived materials, molecularly imprinted polymers, restricted access media, magnetic nanoparticles, and carbonaceous nanomaterials, provided high sensitivity and selectivity results in an extensive variety of applications. These materials, as well as their several possible combinations, have been demonstrated to be highly appropriate for the extraction of different analytes in complex samples such as food products. The main characteristics and application of these new materials in food analysis will be presented and discussed in this paper. Another topic discussed in this review covers the main advantages and limitations of sample preparation microtechniques, as well as their off-line and on-line combination with HPLC for food analysis. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The factor structure of the Alcohol Use Disorders Identification Test (AUDIT).

PubMed

Doyle, Suzanne R; Donovan, Dennis M; Kivlahan, Daniel R

2007-05-01

Past research assessing the factor structure of the Alcohol Use Disorders Identification Test (AUDIT) with various exploratory and confirmatory factor analytic techniques has identified one-, two-, and three-factor solutions. Because different factor analytic procedures may result in dissimilar findings, we examined the factor structure of the AUDIT using the same factor analytic technique on two new large clinical samples and on archival data from six samples studied in previous reports. Responses to the AUDIT were obtained from participants who met Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition (DSM-IV), criteria for alcohol dependence in two large randomized clinical trials: the COMBINE (Combining Medications and Behavioral Interventions) Study (N = 1,337; 69% men) and Project MATCH (Matching Alcoholism Treatments to Client Heterogeneity; N = 1,711; 76% men). Supplementary analyses involved six correlation matrices of AUDIT data obtained from five previously published articles. Confirmatory factor analyses based on one-, two-, and three-factor models were conducted on the eight correlation matrices to assess the factor structure of the AUDIT. Across samples, analyses supported a correlated, two-factor solution representing alcohol consumption and alcohol-related consequences. The three-factor solution fit the data equally well, but two factors (alcohol dependence and harmful alcohol use) were highly correlated. The one-factor solution did not provide a good fit to the data. These findings support a two-factor solution for the AUDIT (alcohol consumption and alcohol-related consequences). The results contradict the original three-factor design of the AUDIT and the prevalent use of the AUDIT as a one-factor screening instrument with a single cutoff score.

Nanoflow Separation of Amino Acids for the Analysis of Cosmic Dust

NASA Technical Reports Server (NTRS)

Martin, M. P.; Glavin, D. P.; Dworkin, Jason P.

2008-01-01

The delivery of amino acids to the early Earth by interplanetary dust particles, comets, and carbonaceous meteorites could have been a significant source of the early Earth's prebiotic organic inventory. Amino acids are central to modern terrestrial biochemistry as major components of proteins and enzymes and were probably vital in the origin of life. A variety of amino acids have been detected in the CM carbonaceous meteorite Murchison, many of which are exceptionally rare in the terrestrial biosphere including a-aminoisobutyric acid (AIB) and isovaline. AIB has also been detected in a small percentage of Antarctic micrometeorite grains believed to be related to the CM meteorites We report on progress in optimizing a nanoflow liquid chromatography separation system with dual detection via laser-induced-fluorescence time of flight mass spectrometry (nLC-LIF/ToF-MS) for the analysis of o-phthaldialdehydelN-acetyl-L-cysteine (OPA/NAC) labeled amino acids in cosmic dust grains. The very low flow rates (<3 micro-L/min) of nLC over analytical LC (>0.1 ml/min) combined with <2 micron column bead sizes has the potential to produce efficient analyte ionizations andchromatograms with very sharp peaks; both increase sensitivity. The combination of the selectivity (only primary amines are derivatized), sensitivity (>4 orders of magnitude lower than traditional GC-MS techniques), and specificity (compounds identities are determined by both retention time and exact mass) makes this a compelling technique. However, the development of an analytical method to achieve separation of compounds as structurally similar as amino acid monomers and produce the sharp peaks required for maximum sensitivity is challenging.

SFC-MS/MS as an orthogonal technique for improved screening of polar analytes in anti-doping control.

PubMed

Parr, Maria Kristina; Wuest, Bernhard; Naegele, Edgar; Joseph, Jan F; Wenzel, Maxi; Schmidt, Alexander H; Stanic, Mijo; de la Torre, Xavier; Botrè, Francesco

2016-09-01

HPLC is considered the method of choice for the separation of various classes of drugs. However, some analytes are still challenging as HPLC shows limited resolution capabilities for highly polar analytes as they interact insufficiently on conventional reversed-phase (RP) columns. Especially in combination with mass spectrometric detection, limitations apply for alterations of stationary phases. Some highly polar sympathomimetic drugs and their metabolites showed almost no retention on different RP columns. Their retention remains poor even on phenylhexyl phases that show different selectivity due to π-π interactions. Supercritical fluid chromatography (SFC) as an orthogonal separation technique to HPLC may help to overcome these issues. Selected polar drugs and metabolites were analyzed utilizing SFC separation. All compounds showed sharp peaks and good retention even for the very polar analytes, such as sulfoconjugates. Retention times and elution orders in SFC are different to both RP and HILIC separations as a result of the orthogonality. Short cycle times could be realized. As temperature and pressure strongly influence the polarity of supercritical fluids, precise regulation of temperature and backpressure is required for the stability of the retention times. As CO2 is the main constituent of the mobile phase in SFC, solvent consumption and solvent waste are considerably reduced. Graphical Abstract SFC-MS/MS vs. LC-MS/MS.

Hybrid-dual-fourier tomographic algorithm for a fast three-dimensionial optical image reconstruction in turbid media

NASA Technical Reports Server (NTRS)

Alfano, Robert R. (Inventor); Cai, Wei (Inventor)

2007-01-01

A reconstruction technique for reducing computation burden in the 3D image processes, wherein the reconstruction procedure comprises an inverse and a forward model. The inverse model uses a hybrid dual Fourier algorithm that combines a 2D Fourier inversion with a 1D matrix inversion to thereby provide high-speed inverse computations. The inverse algorithm uses a hybrid transfer to provide fast Fourier inversion for data of multiple sources and multiple detectors. The forward model is based on an analytical cumulant solution of a radiative transfer equation. The accurate analytical form of the solution to the radiative transfer equation provides an efficient formalism for fast computation of the forward model.

Functional-analytical capabilities of GIS technology in the study of water use risks

NASA Astrophysics Data System (ADS)

Nevidimova, O. G.; Yankovich, E. P.; Yankovich, K. S.

2015-02-01

Regional security aspects of economic activities are of great importance for legal regulation in environmental management. This has become a critical issue due to climate change, especially in regions where severe climate conditions have a great impact on almost all types of natural resource uses. A detailed analysis of climate and hydrological situation in Tomsk Oblast considering water use risks was carried out. Based on developed author's techniques an informational and analytical database was created using ArcGIS software platform, which combines statistical (quantitative) and spatial characteristics of natural hazards and socio-economic factors. This system was employed to perform areal zoning according to the degree of water use risks involved.

Infrared radiation of thin plastic films.

NASA Technical Reports Server (NTRS)

Tien, C. L.; Chan, C. K.; Cunnington, G. R.

1972-01-01

A combined analytical and experimental study is presented for infrared radiation characteristics of thin plastic films with and without a metal substrate. On the basis of the thin-film analysis, a simple analytical technique is developed for determining band-averaged optical constants of thin plastic films from spectral normal transmittance data for two different film thicknesses. Specifically, the band-averaged optical constants of polyethylene terephthalate and polyimide were obtained from transmittance measurements of films with thicknesses in the range of 0.25 to 3 mil. The spectral normal reflectance and total normal emittance of the film side of singly aluminized films are calculated by use of optical constants; the results compare favorably with measured values.

Chemical-mineralogical characterization of C&D waste recycled aggregates from São Paulo, Brazil.

PubMed

Angulo, S C; Ulsen, C; John, V M; Kahn, H; Cincotto, M A

2009-02-01

This study presents a methodology for the characterization of construction and demolition (C&D) waste recycled aggregates based on a combination of analytical techniques (X-ray fluorescence (XRF), soluble ions, semi-quantitative X-ray diffraction (XRD), thermogravimetric analysis (TGA-DTG) and hydrochloric acid (HCl) selective dissolution). These combined analytical techniques allow for the estimation of the amount of cement paste, its most important hydrated and carbonated phases, as well as the amount of clay and micas. Details of the methodology are presented here and the results of three representative C&D samples taken from the São Paulo region in Brazil are discussed. Chemical compositions of mixed C&D aggregate samples have mostly been influenced by particle size rather than the visual classification of C&D into red or grey and geographical origin. The amount of measured soluble salts in C&D aggregates (0.15-25.4mm) is lower than the usual limits for mortar and concrete production. The content of porous cement paste in the C&D aggregates is around 19.3% (w/w). However, this content is significantly lower than the 43% detected for the C&D powders (<0.15 mm). The clay content of the powders was also high, potentially resulting from soil intermixed with the C&D waste, as well as poorly burnt red ceramic. Since only about 50% of the measured CaO is combined with CO(2), the powders have potential use as raw materials for the cement industry.

Recent Developments in the Speciation and Determination of Mercury Using Various Analytical Techniques

PubMed Central

Suvarapu, Lakshmi Narayana; Baek, Sung-Ok

2015-01-01

This paper reviews the speciation and determination of mercury by various analytical techniques such as atomic absorption spectrometry, voltammetry, inductively coupled plasma techniques, spectrophotometry, spectrofluorometry, high performance liquid chromatography, and gas chromatography. Approximately 126 research papers on the speciation and determination of mercury by various analytical techniques published in international journals since 2013 are reviewed. PMID:26236539

Measuring Trace Hydrocarbons in Silanes

NASA Technical Reports Server (NTRS)

Lesser, L. A.

1984-01-01

Technique rapid and uses standard analytical equipment. Silane gas containing traces of hydrocarbons injected into carrier gas of moist nitrogen having about 0.2 percent water vapor. Carrier, water and silane pass through short column packed with powdered sodium hydroxide which combines moisture and silane to form nonvolatile sodium silicate. Carrier gas free of silane but containing nonreactive hydrocarbons, pass to silica-gel column where chromatographic separation takes place. Hydrocarbons measured by FID.

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

Sohn, H.; Camacho-Bunquin, J.; Langeslay, R. R.

Well-defined, isolated, single-site organovanadium(III) catalyst on SiO 2 [(SiO 2)V(Mes)(THF)] were synthesized via surface organometallic chemistry, and fully characterized using a combination of analytical and spectroscopic techniques (EA, ICP, 1H NMR, TGA-MS, EPR, XPS, DR-UV/Vis, UV-Raman, DRIFTS, XAS). The catalysts exhibit unprecedented reactivity in liquid- and gas-phase alkene/alkyne hydrogenation. Catalyst poisoning experiments revealed that 100% of the V sites are active for hydrogenation.

Microscale determination of the spectral characteristics and carbon-isotopic compositions of porphyrins

NASA Technical Reports Server (NTRS)

Popp, B. N.; Hayes, J. M.; Boreham, C. J.

1993-01-01

Molar extinction coefficients for band III of Ni porphyrins are calculated from results of spectrophotometric and manometric analyses of individual etioporphyrins, DPEP, cyclic, and diDPEP porphyrins known to initially be pure from mass spectrometry, 1H NMR, and analytical HPLC studies. A method for determining carbon-isotopic compositions and purity of micromolar quantities of individual porphyrins using combined spectrophotometric and manometric techniques is presented.

Comparison of soil sampling and analytical methods for asbestos at the Sumas Mountain Asbestos Site-Working towards a toolbox for better assessment.

PubMed

Wroble, Julie; Frederick, Timothy; Frame, Alicia; Vallero, Daniel

2017-01-01

Established soil sampling methods for asbestos are inadequate to support risk assessment and risk-based decision making at Superfund sites due to difficulties in detecting asbestos at low concentrations and difficulty in extrapolating soil concentrations to air concentrations. Environmental Protection Agency (EPA)'s Office of Land and Emergency Management (OLEM) currently recommends the rigorous process of Activity Based Sampling (ABS) to characterize site exposures. The purpose of this study was to compare three soil analytical methods and two soil sampling methods to determine whether one method, or combination of methods, would yield more reliable soil asbestos data than other methods. Samples were collected using both traditional discrete ("grab") samples and incremental sampling methodology (ISM). Analyses were conducted using polarized light microscopy (PLM), transmission electron microscopy (TEM) methods or a combination of these two methods. Data show that the fluidized bed asbestos segregator (FBAS) followed by TEM analysis could detect asbestos at locations that were not detected using other analytical methods; however, this method exhibited high relative standard deviations, indicating the results may be more variable than other soil asbestos methods. The comparison of samples collected using ISM versus discrete techniques for asbestos resulted in no clear conclusions regarding preferred sampling method. However, analytical results for metals clearly showed that measured concentrations in ISM samples were less variable than discrete samples.

Comparison of soil sampling and analytical methods for asbestos at the Sumas Mountain Asbestos Site—Working towards a toolbox for better assessment

PubMed Central

2017-01-01

Established soil sampling methods for asbestos are inadequate to support risk assessment and risk-based decision making at Superfund sites due to difficulties in detecting asbestos at low concentrations and difficulty in extrapolating soil concentrations to air concentrations. Environmental Protection Agency (EPA)’s Office of Land and Emergency Management (OLEM) currently recommends the rigorous process of Activity Based Sampling (ABS) to characterize site exposures. The purpose of this study was to compare three soil analytical methods and two soil sampling methods to determine whether one method, or combination of methods, would yield more reliable soil asbestos data than other methods. Samples were collected using both traditional discrete (“grab”) samples and incremental sampling methodology (ISM). Analyses were conducted using polarized light microscopy (PLM), transmission electron microscopy (TEM) methods or a combination of these two methods. Data show that the fluidized bed asbestos segregator (FBAS) followed by TEM analysis could detect asbestos at locations that were not detected using other analytical methods; however, this method exhibited high relative standard deviations, indicating the results may be more variable than other soil asbestos methods. The comparison of samples collected using ISM versus discrete techniques for asbestos resulted in no clear conclusions regarding preferred sampling method. However, analytical results for metals clearly showed that measured concentrations in ISM samples were less variable than discrete samples. PMID:28759607

A Comparison of the Glass Meta-Analytic Technique with the Hunter-Schmidt Meta-Analytic Technique on Three Studies from the Education Literature.

ERIC Educational Resources Information Center

Hough, Susan L.; Hall, Bruce W.

The meta-analytic techniques of G. V. Glass (1976) and J. E. Hunter and F. L. Schmidt (1977) were compared through their application to three meta-analytic studies from education literature. The following hypotheses were explored: (1) the overall mean effect size would be larger in a Hunter-Schmidt meta-analysis (HSMA) than in a Glass…

Blade loss transient dynamics analysis, volume 2. Task 2: Theoretical and analytical development. Task 3: Experimental verification

NASA Technical Reports Server (NTRS)

Gallardo, V. C.; Storace, A. S.; Gaffney, E. F.; Bach, L. J.; Stallone, M. J.

1981-01-01

The component element method was used to develop a transient dynamic analysis computer program which is essentially based on modal synthesis combined with a central, finite difference, numerical integration scheme. The methodology leads to a modular or building-block technique that is amenable to computer programming. To verify the analytical method, turbine engine transient response analysis (TETRA), was applied to two blade-out test vehicles that had been previously instrumented and tested. Comparison of the time dependent test data with those predicted by TETRA led to recommendations for refinement or extension of the analytical method to improve its accuracy and overcome its shortcomings. The development of working equations, their discretization, numerical solution scheme, the modular concept of engine modelling, the program logical structure and some illustrated results are discussed. The blade-loss test vehicles (rig full engine), the type of measured data, and the engine structural model are described.

On-line soft sensing in upstream bioprocessing.

PubMed

Randek, Judit; Mandenius, Carl-Fredrik

2018-02-01

This review provides an overview and a critical discussion of novel possibilities of applying soft sensors for on-line monitoring and control of industrial bioprocesses. Focus is on bio-product formation in the upstream process but also the integration with other parts of the process is addressed. The term soft sensor is used for the combination of analytical hardware data (from sensors, analytical devices, instruments and actuators) with mathematical models that create new real-time information about the process. In particular, the review assesses these possibilities from an industrial perspective, including sensor performance, information value and production economy. The capabilities of existing analytical on-line techniques are scrutinized in view of their usefulness in soft sensor setups and in relation to typical needs in bioprocessing in general. The review concludes with specific recommendations for further development of soft sensors for the monitoring and control of upstream bioprocessing.

Big data in medical informatics: improving education through visual analytics.

PubMed

Vaitsis, Christos; Nilsson, Gunnar; Zary, Nabil

2014-01-01

A continuous effort to improve healthcare education today is currently driven from the need to create competent health professionals able to meet healthcare demands. Limited research reporting how educational data manipulation can help in healthcare education improvement. The emerging research field of visual analytics has the advantage to combine big data analysis and manipulation techniques, information and knowledge representation, and human cognitive strength to perceive and recognise visual patterns. The aim of this study was therefore to explore novel ways of representing curriculum and educational data using visual analytics. Three approaches of visualization and representation of educational data were presented. Five competencies at undergraduate medical program level addressed in courses were identified to inaccurately correspond to higher education board competencies. Different visual representations seem to have a potential in impacting on the ability to perceive entities and connections in the curriculum data.

Analytical techniques and instrumentation: A compilation. [analytical instrumentation, materials performance, and systems analysis

NASA Technical Reports Server (NTRS)

1974-01-01

Technical information is presented covering the areas of: (1) analytical instrumentation useful in the analysis of physical phenomena; (2) analytical techniques used to determine the performance of materials; and (3) systems and component analyses for design and quality control.

Droplet based microfluidics.

PubMed

Seemann, Ralf; Brinkmann, Martin; Pfohl, Thomas; Herminghaus, Stephan

2012-01-01

Droplet based microfluidics is a rapidly growing interdisciplinary field of research combining soft matter physics, biochemistry and microsystems engineering. Its applications range from fast analytical systems or the synthesis of advanced materials to protein crystallization and biological assays for living cells. Precise control of droplet volumes and reliable manipulation of individual droplets such as coalescence, mixing of their contents, and sorting in combination with fast analysis tools allow us to perform chemical reactions inside the droplets under defined conditions. In this paper, we will review available drop generation and manipulation techniques. The main focus of this review is not to be comprehensive and explain all techniques in great detail but to identify and shed light on similarities and underlying physical principles. Since geometry and wetting properties of the microfluidic channels are crucial factors for droplet generation, we also briefly describe typical device fabrication methods in droplet based microfluidics. Examples of applications and reaction schemes which rely on the discussed manipulation techniques are also presented, such as the fabrication of special materials and biophysical experiments.

A facile synthesis of novel self-assembled gold nanorods designed for near-infrared imaging.

PubMed

Pan, Dipanjan; Pramanik, Manojit; Senpan, Angana; Wickline, Samuel A; Wang, Lihong V; Lanza, Gregory M

2010-12-01

Molecular imaging techniques now allow recognition of early biochemical, physiological, and anatomical changes before manifestation of gross pathological changes. Photoacoustic imaging represents a novel non-ionizing detection technique that combines the advantages of optical and ultrasound imaging. Noninvasive photoacoustic tomography (PAT) imaging in combination with nanoparticle-based contrast agents show promise in improved detection and diagnosis of cardiovascular and cancer related diseases. In this report, a novel strategy is introduced to achieve self-assembled colloidal gold nanorods, which are constrained to the vasculature. Gold nanorods (2-4 nm) were incorporated into the core of self-assembled lipid-encapsulated nanoparticles (sGNR) (approximately 130 nm), providing more than hundreds of gold atoms per nanoparticle of 20% colloid suspension. The physico-chemical characterization in solution and anhydrous state with analytical techniques demonstrated that the particles were spherical and highly mono dispersed. In addition to the synthesis and characterization, sensitive near-infrared photoacoustic detection was impressively demonstrated in vitro.

A Facile Synthesis of Novel Self-Assembled Gold Nanorods Designed for Near-Infrared Imaging

PubMed Central

Pramanik, Manojit; Senpan, Angana; Wickline, Samuel A.; Lanza, Gregory M.

2011-01-01

Molecular imaging techniques now allow recognition of early biochemical, physiological, and anatomical Changes before manifestation of gross pathological changes. Photoacoustic imaging represents a novel non-ionizing detection technique that combines the advantages of optical and ultrasound imaging Noninvasive photoacoustic tomography (PAT) imaging in combination with nanoparticle-based contrast agents show promise in improved detection and diagnosis of cardio-vascular and cancer related diseases. In this report, a novel strategy is introduced to achieve self-assembled colloidal gold nanorods, which are constrained to the vasculature. Gold nanorods (2–4 nm) were incorporated into the core of self-assembled lipid-encapsulated nanoparticles (sGNR)(~130 nm), providing more than hundreds of gold atoms per nanoparticle of 20% colloid suspension. The physico-chemical characterization in solution and anhydrous state with analytical techniques demonstrated that the particles were spherical and highly mono dispersed. In addition to the synthesis and characterization, sensitive near-infrared photoacoustic detection was impressively demonstrated in vitro. PMID:21121304

A combined method for correlative 3D imaging of biological samples from macro to nano scale

NASA Astrophysics Data System (ADS)

Kellner, Manuela; Heidrich, Marko; Lorbeer, Raoul-Amadeus; Antonopoulos, Georgios C.; Knudsen, Lars; Wrede, Christoph; Izykowski, Nicole; Grothausmann, Roman; Jonigk, Danny; Ochs, Matthias; Ripken, Tammo; Kühnel, Mark P.; Meyer, Heiko

2016-10-01

Correlative analysis requires examination of a specimen from macro to nano scale as well as applicability of analytical methods ranging from morphological to molecular. Accomplishing this with one and the same sample is laborious at best, due to deformation and biodegradation during measurements or intermediary preparation steps. Furthermore, data alignment using differing imaging techniques turns out to be a complex task, which considerably complicates the interconnection of results. We present correlative imaging of the accessory rat lung lobe by combining a modified Scanning Laser Optical Tomography (SLOT) setup with a specially developed sample preparation method (CRISTAL). CRISTAL is a resin-based embedding method that optically clears the specimen while allowing sectioning and preventing degradation. We applied and correlated SLOT with Multi Photon Microscopy, histological and immunofluorescence analysis as well as Transmission Electron Microscopy, all in the same sample. Thus, combining CRISTAL with SLOT enables the correlative utilization of a vast variety of imaging techniques.

Application and further development of diffusion based 2D chemical imaging techniques in the rhizosphere

NASA Astrophysics Data System (ADS)

Hoefer, Christoph; Santner, Jakob; Borisov, Sergey; Kreuzeder, Andreas; Wenzel, Walter; Puschenreiter, Markus

2015-04-01

Two dimensional chemical imaging of root processes refers to novel in situ methods to investigate and map solutes at a high spatial resolution (sub-mm). The visualization of these solutes reveals new insights in soil biogeochemistry and root processes. We derive chemical images by using data from DGT-LA-ICP-MS (Diffusive Gradients in Thin Films and Laser Ablation Inductively Coupled Plasma Mass Spectrometry) and POS (Planar Optode Sensors). Both technologies have shown promising results when applied in aqueous environment but need to be refined and improved for imaging at the soil-plant interface. Co-localized mapping using combined DGT and POS technologies and the development of new gel combinations are in our focus. DGTs are smart and thin (<0.4 mm) hydrogels; containing a binding resin for the targeted analytes (e.g. trace metals, phosphate, sulphide or radionuclides). The measurement principle is passive and diffusion based. The present analytes are diffusing into the gel and are bound by the resin. Thereby, the resin acts as zero sink. After application, DGTs are retrieved, dried, and analysed using LA-ICP-MS. The data is then normalized by an internal standard (e.g. 13C), calibrated using in-house standards and chemical images of the target area are plotted using imaging software. POS are, similar to DGT, thin sensor foils containing a fluorophore coating depending on the target analyte. The measurement principle is based on excitation of the flourophore by a specific wavelength and emission of the fluorophore depending on the presence of the analyte. The emitted signal is captured using optical filters and a DSLR camera. While DGT analysis is destructive, POS measurements can be performed continuously during the application. Both semi-quantitative techniques allow an in situ application to visualize chemical processes directly at the soil-plant interface. Here, we present a summary of results from rhizotron experiments with different plants in metal contaminated and agricultural soils.

Stress analysis of the cracked-lap-shear specimen - An ASTM round-robin

NASA Technical Reports Server (NTRS)

Johnson, W. S.

1987-01-01

This ASTM Round Robin was conducted to evaluate the state of the art in stress analysis of adhesively bonded joint specimens. Specifically, the participants were asked to calculate the strain-energy-release rate for two different geometry cracked lap shear (CLS) specimens at four different debond lengths. The various analytical techniques consisted of 2- and 3-dimensional finite element analysis, beam theory, plate theory, and a combination of beam theory and finite element analysis. The results were examined in terms of the total strain-energy-release rate and the mode I to mode II ratio as a function of debond length for each specimen geometry. These results basically clustered into two groups: geometric linear or geometric nonlinear analysis. The geometric nonlinear analysis is required to properly analyze the CLS specimens. The 3-D finite element analysis gave indications of edge closure plus some mode III loading. Each participant described his analytical technique and results. Nine laboratories participated.

Stress analysis of the cracked lap shear specimens: An ASTM round robin

NASA Technical Reports Server (NTRS)

Johnson, W. S.

1986-01-01

This ASTM Round Robin was conducted to evaluate the state of the art in stress analysis of adhesively bonded joint specimens. Specifically, the participants were asked to calculate the strain-energy-release rate for two different geometry cracked lap shear (CLS) specimens at four different debond lengths. The various analytical techniques consisted of 2- and 3-dimensional finite element analysis, beam theory, plate theory, and a combination of beam theory and finite element analysis. The results were examined in terms of the total strain-energy-release rate and the mode I to mode II ratio as a function of debond length for each specimen geometry. These results basically clustered into two groups: geometric linear or geometric nonlinear analysis. The geometric nonlinear analysis is required to properly analyze the CLS specimens. The 3-D finite element analysis gave indications of edge closure plus some mode III loading. Each participant described his analytical technique and results. Nine laboratories participated.

Real-Time Visualization of Network Behaviors for Situational Awareness

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

Best, Daniel M.; Bohn, Shawn J.; Love, Douglas V.

Plentiful, complex, and dynamic data make understanding the state of an enterprise network difficult. Although visualization can help analysts understand baseline behaviors in network traffic and identify off-normal events, visual analysis systems often do not scale well to operational data volumes (in the hundreds of millions to billions of transactions per day) nor to analysis of emergent trends in real-time data. We present a system that combines multiple, complementary visualization techniques coupled with in-stream analytics, behavioral modeling of network actors, and a high-throughput processing platform called MeDICi. This system provides situational understanding of real-time network activity to help analysts takemore » proactive response steps. We have developed these techniques using requirements gathered from the government users for which the tools are being developed. By linking multiple visualization tools to a streaming analytic pipeline, and designing each tool to support a particular kind of analysis (from high-level awareness to detailed investigation), analysts can understand the behavior of a network across multiple levels of abstraction.« less

A new approach to the analysis of radiopharmaceuticals. Final technical report, January 15, 1987--June 30, 1991

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

Jones, A.G.; Davison, A.; Costello, C.E.

The objective of this research was to investigate analytical techniques that could be used in the study of both the basic chemistry and the radiopharmaceutical chemistry of {sup 99m}Tc. First funded in 1981, the work focused initially upon the use of high performance liquid chromatography (HPLC) and various forms of mass spectrometry for the identification of technetium species. This funding allowed the authors to combine HPLC and mass spectrometry to identify radiopharmaceuticals which, although in clinical use, had not previously been characterized. Other techniques that have been examined include resonance Raman spectroscopy and, more significantly, {sup 99}Tc nuclear magnetic resonancemore » spectroscopy (NMR), with the latter not only being used in purely chemical experiments but also in biologic studies. In 1985 a grant to the Department of Chemistry at MIT from DOE allowed the purchase of an X-ray diffractometer and access to this instrument has enabled them to broaden the analytical base with routine structural determinations.« less

On the performance of energy detection-based CR with SC diversity over IG channel

NASA Astrophysics Data System (ADS)

Verma, Pappu Kumar; Soni, Sanjay Kumar; Jain, Priyanka

2017-12-01

Cognitive radio (CR) is a viable 5G technology to address the scarcity of the spectrum. Energy detection-based sensing is known to be the simplest method as far as hardware complexity is concerned. In this paper, the performance of spectrum sensing-based energy detection technique in CR networks over inverse Gaussian channel for selection combining diversity technique is analysed. More specifically, accurate analytical expressions for the average detection probability under different detection scenarios such as single channel (no diversity) and with diversity reception are derived and evaluated. Further, the detection threshold parameter is optimised by minimising the probability of error over several diversity branches. The results clearly show the significant improvement in the probability of detection when optimised threshold parameter is applied. The impact of shadowing parameters on the performance of energy detector is studied in terms of complimentary receiver operating characteristic curve. To verify the correctness of our analysis, the derived analytical expressions are corroborated via exact result and Monte Carlo simulations.

Deriving Earth Science Data Analytics Tools/Techniques Requirements

NASA Astrophysics Data System (ADS)

Kempler, S. J.

2015-12-01

Data Analytics applications have made successful strides in the business world where co-analyzing extremely large sets of independent variables have proven profitable. Today, most data analytics tools and techniques, sometimes applicable to Earth science, have targeted the business industry. In fact, the literature is nearly absent of discussion about Earth science data analytics. Earth science data analytics (ESDA) is the process of examining large amounts of data from a variety of sources to uncover hidden patterns, unknown correlations, and other useful information. ESDA is most often applied to data preparation, data reduction, and data analysis. Co-analysis of increasing number and volume of Earth science data has become more prevalent ushered by the plethora of Earth science data sources generated by US programs, international programs, field experiments, ground stations, and citizen scientists. Through work associated with the Earth Science Information Partners (ESIP) Federation, ESDA types have been defined in terms of data analytics end goals. Goals of which are very different than those in business, requiring different tools and techniques. A sampling of use cases have been collected and analyzed in terms of data analytics end goal types, volume, specialized processing, and other attributes. The goal of collecting these use cases is to be able to better understand and specify requirements for data analytics tools and techniques yet to be implemented. This presentation will describe the attributes and preliminary findings of ESDA use cases, as well as provide early analysis of data analytics tools/techniques requirements that would support specific ESDA type goals. Representative existing data analytics tools/techniques relevant to ESDA will also be addressed.

Combinations of techniques that effectively change health behavior: evidence from Meta-CART analysis.

PubMed

Dusseldorp, Elise; van Genugten, Lenneke; van Buuren, Stef; Verheijden, Marieke W; van Empelen, Pepijn

2014-12-01

Many health-promoting interventions combine multiple behavior change techniques (BCTs) to maximize effectiveness. Although, in theory, BCTs can amplify each other, the available meta-analyses have not been able to identify specific combinations of techniques that provide synergistic effects. This study overcomes some of the shortcomings in the current methodology by applying classification and regression trees (CART) to meta-analytic data in a special way, referred to as Meta-CART. The aim was to identify particular combinations of BCTs that explain intervention success. A reanalysis of data from Michie, Abraham, Whittington, McAteer, and Gupta (2009) was performed. These data included effect sizes from 122 interventions targeted at physical activity and healthy eating, and the coding of the interventions into 26 BCTs. A CART analysis was performed using the BCTs as predictors and treatment success (i.e., effect size) as outcome. A subgroup meta-analysis using a mixed effects model was performed to compare the treatment effect in the subgroups found by CART. Meta-CART identified the following most effective combinations: Provide information about behavior-health link with Prompt intention formation (mean effect size ḡ = 0.46), and Provide information about behavior-health link with Provide information on consequences and Use of follow-up prompts (ḡ = 0.44). Least effective interventions were those using Provide feedback on performance without using Provide instruction (ḡ = 0.05). Specific combinations of BCTs increase the likelihood of achieving change in health behavior, whereas other combinations decrease this likelihood. Meta-CART successfully identified these combinations and thus provides a viable methodology in the context of meta-analysis.

Green analytical chemistry--theory and practice.

PubMed

Tobiszewski, Marek; Mechlińska, Agata; Namieśnik, Jacek

2010-08-01

This tutorial review summarises the current state of green analytical chemistry with special emphasis on environmentally friendly sample preparation techniques. Green analytical chemistry is a part of the sustainable development concept; its history and origins are described. Miniaturisation of analytical devices and shortening the time elapsing between performing analysis and obtaining reliable analytical results are important aspects of green analytical chemistry. Solventless extraction techniques, the application of alternative solvents and assisted extractions are considered to be the main approaches complying with green analytical chemistry principles.

Electronegative plasma diagnostic by laser photo-detachment combined with negatively biased Langmuir probe

NASA Astrophysics Data System (ADS)

Oudini, N.; Sirse, N.; Taccogna, F.; Ellingboe, A. R.; Bendib, A.

2018-05-01

We propose a new technique for diagnosing negative ion properties using Langmuir probe assisted pulsed laser photo-detachment. While the classical technique uses a laser pulse to convert negative ions into electron-atom pairs and a positively biased Langmuir probe tracking the change of electron saturation current, the proposed method uses a negatively biased Langmuir probe to track the temporal evolution of positive ion current. The negative bias aims to avoid the parasitic electron current inherent to probe tip surface ablation. In this work, we show through analytical and numerical approaches that, by knowing electron temperature and performing photo-detachment at two different laser wavelengths, it is possible to deduce plasma electronegativity (ratio of negative ion to electron densities) α, and anisothermicity (ratio of electron to negative ion temperatures) γ-. We present an analytical model that links the change in the collected positive ion current to plasma electronegativity and anisothermicity. Particle-In-Cell simulation is used as a numerical experiment covering a wide range of α and γ- to test the new analysis technique. The new technique is sensitive to α in the range 0.5 < α < 10 and yields γ- for large α, where negative ion flux affects the probe sheath behavior, typically α > 1.

Insecticide ADME for support of early-phase discovery: combining classical and modern techniques.

PubMed

David, Michael D

2017-04-01

The two factors that determine an insecticide's potency are its binding to a target site (intrinsic activity) and the ability of its active form to reach the target site (bioavailability). Bioavailability is dictated by the compound's stability and transport kinetics, which are determined by both physical and biochemical characteristics. At BASF Global Insecticide Research, we characterize bioavailability in early research with an ADME (Absorption, Distribution, Metabolism and Excretion) approach, combining classical and modern techniques. For biochemical assessment of metabolism, we purify native insect enzymes using classical techniques, and recombinantly express individual insect enzymes that are known to be relevant in insecticide metabolism and resistance. For analytical characterization of an experimental insecticide and its metabolites, we conduct classical radiotracer translocation studies when a radiolabel is available. In discovery, where typically no radiolabel has been synthesized, we utilize modern high-resolution mass spectrometry to probe complex systems for the test compounds and its metabolites. By using these combined approaches, we can rapidly compare the ADME properties of sets of new experimental insecticides and aid in the design of structures with an improved potential to advance in the research pipeline. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

A Study of Feature Combination for Vehicle Detection Based on Image Processing

PubMed Central

2014-01-01

Video analytics play a critical role in most recent traffic monitoring and driver assistance systems. In this context, the correct detection and classification of surrounding vehicles through image analysis has been the focus of extensive research in the last years. Most of the pieces of work reported for image-based vehicle verification make use of supervised classification approaches and resort to techniques, such as histograms of oriented gradients (HOG), principal component analysis (PCA), and Gabor filters, among others. Unfortunately, existing approaches are lacking in two respects: first, comparison between methods using a common body of work has not been addressed; second, no study of the combination potentiality of popular features for vehicle classification has been reported. In this study the performance of the different techniques is first reviewed and compared using a common public database. Then, the combination capabilities of these techniques are explored and a methodology is presented for the fusion of classifiers built upon them, taking into account also the vehicle pose. The study unveils the limitations of single-feature based classification and makes clear that fusion of classifiers is highly beneficial for vehicle verification. PMID:24672299

Mars Geochemical Instrument (MarGI): An instrument for the analysis of the Martian surface and the search for evidence of life

NASA Technical Reports Server (NTRS)

Kojiro, Daniel R.; Mancinelli, Rocco; Martin, Joe; Holland, Paul M.; Stimac, Robert M.; Kaye, William J.

2005-01-01

The Mars Geochemical Instrument, MarGI, was developed to provide a comprehensive analysis of the rocks and surface material on Mars. The instrument combines Differential Thermal Analysis (DTA) with miniature Gas Chromatography-Ion Mobility Spectrometry (GC-IMS) to identify minerals, the presence and state of water, and organic compounds. Miniature pyrolysis ovens are used to both, conduct DTA analysis of soil or crushed rocks samples, and pyrolyze the samples at temperatures up to 1000 degrees C for GC-IMS analysis of the released gases. This combination of analytical processes and techniques, which can characterize the mineralogy of the rocks and soil, and identify and quantify volatiles released during pyrolysis, has applications across a wide range of target sites including comets, planets, asteroids, and moons such as Titan and Europa. The MarGI analytical approach evolved from the Cometary Ice and Dust Experiment (CIDEX) selected to fly on the Comet Rendezvous Asteroid Flyby Mission (CRAF).

Rapid determination of floral aroma compounds of lilac blossom by fast gas chromatography combined with surface acoustic wave sensor.

PubMed

Oh, Se Yeon; Shin, Hyun Du; Kim, Sung Jean; Hong, Jongki

2008-03-07

A novel analytical method using fast gas chromatography combined with surface acoustic wave sensor (GC/SAW) has been developed for the detection of volatile aroma compounds emanated from lilac blossom (Syringa species: Syringa vulgaris variginata and Syringa dilatata). GC/SAW could detect and quantify various fragrance emitted from lilac blossom, enabling to provide fragrance pattern analysis results. The fragrance pattern analysis could easily characterize the delicate differences in aromas caused by the substantial difference of chemical composition according to different color and shape of petals. Moreover, the method validation of GC/SAW was performed for the purpose of volatile floral actual aroma analysis, achieving a high reproducibility and excellent sensitivity. From the validation results, GC/SAW could serve as an alternative analytical technique for the analysis of volatile floral actual aroma of lilac. In addition, headspace solid-phase microextraction (HS-SPME) GC-MS was employed to further confirm the identification of fragrances emitted from lilac blossom and compared to GC/SAW.

The influence of parametric and external noise in act-and-wait control with delayed feedback.

PubMed

Wang, Jiaxing; Kuske, Rachel

2017-11-01

We apply several novel semi-analytic approaches for characterizing and calculating the effects of noise in a system with act-and-wait control. For concrete illustration, we apply these to a canonical balance model for an inverted pendulum to study the combined effect of delay and noise within the act-and-wait setting. While the act-and-wait control facilitates strong stabilization through deadbeat control, a comparison of different models with continuous vs. discrete updating of the control strategy in the active period illustrates how delays combined with the imprecise application of the control can seriously degrade the performance. We give several novel analyses of a generalized act-and-wait control strategy, allowing flexibility in the updating of the control strategy, in order to understand the sensitivities to delays and random fluctuations. In both the deterministic and stochastic settings, we give analytical and semi-analytical results that characterize and quantify the dynamics of the system. These results include the size and shape of stability regions, densities for the critical eigenvalues that capture the rate of reaching the desired stable equilibrium, and amplification factors for sustained fluctuations in the context of external noise. They also provide the dependence of these quantities on the length of the delay and the active period. In particular, we see that the combined influence of delay, parametric error, or external noise and on-off control can qualitatively change the dynamics, thus reducing the robustness of the control strategy. We also capture the dependence on how frequently the control is updated, allowing an interpolation between continuous and frequent updating. In addition to providing insights for these specific models, the methods we propose are generalizable to other settings with noise, delay, and on-off control, where analytical techniques are otherwise severely scarce.

Analytical Electrochemistry: Methodology and Applications of Dynamic Techniques.

ERIC Educational Resources Information Center

Heineman, William R.; Kissinger, Peter T.

1980-01-01

Reports developments involving the experimental aspects of finite and current analytical electrochemistry including electrode materials (97 cited references), hydrodynamic techniques (56), spectroelectrochemistry (62), stripping voltammetry (70), voltammetric techniques (27), polarographic techniques (59), and miscellany (12). (CS)

Current use of high-resolution mass spectrometry in drug screening relevant to clinical and forensic toxicology and doping control.

PubMed

Ojanperä, Ilkka; Kolmonen, Marjo; Pelander, Anna

2012-05-01

Clinical and forensic toxicology and doping control deal with hundreds or thousands of drugs that may cause poisoning or are abused, are illicit, or are prohibited in sports. Rapid and reliable screening for all these compounds of different chemical and pharmaceutical nature, preferably in a single analytical method, is a substantial effort for analytical toxicologists. Combined chromatography-mass spectrometry techniques with standardised reference libraries have been most commonly used for the purpose. In the last ten years, the focus has shifted from gas chromatography-mass spectrometry to liquid chromatography-mass spectrometry, because of progress in instrument technology and partly because of the polarity and low volatility of many new relevant substances. High-resolution mass spectrometry (HRMS), which enables accurate mass measurement at high resolving power, has recently evolved to the stage that is rapidly causing a shift from unit-resolution, quadrupole-dominated instrumentation. The main HRMS techniques today are time-of-flight mass spectrometry and Orbitrap Fourier-transform mass spectrometry. Both techniques enable a range of different drug-screening strategies that essentially rely on measuring a compound's or a fragment's mass with sufficiently high accuracy that its elemental composition can be determined directly. Accurate mass and isotopic pattern acts as a filter for confirming the identity of a compound or even identification of an unknown. High mass resolution is essential for improving confidence in accurate mass results in the analysis of complex biological samples. This review discusses recent applications of HRMS in analytical toxicology.

Trends in analytical techniques applied to particulate matter characterization: A critical review of fundaments and applications.

PubMed

Galvão, Elson Silva; Santos, Jane Meri; Lima, Ana Teresa; Reis, Neyval Costa; Orlando, Marcos Tadeu D'Azeredo; Stuetz, Richard Michael

2018-05-01

Epidemiological studies have shown the association of airborne particulate matter (PM) size and chemical composition with health problems affecting the cardiorespiratory and central nervous systems. PM also act as cloud condensation nuclei (CNN) or ice nuclei (IN), taking part in the clouds formation process, and therefore can impact the climate. There are several works using different analytical techniques in PM chemical and physical characterization to supply information to source apportionment models that help environmental agencies to assess damages accountability. Despite the numerous analytical techniques described in the literature available for PM characterization, laboratories are normally limited to the in-house available techniques, which raises the question if a given technique is suitable for the purpose of a specific experimental work. The aim of this work consists of summarizing the main available technologies for PM characterization, serving as a guide for readers to find the most appropriate technique(s) for their investigation. Elemental analysis techniques like atomic spectrometry based and X-ray based techniques, organic and carbonaceous techniques and surface analysis techniques are discussed, illustrating their main features as well as their advantages and drawbacks. We also discuss the trends in analytical techniques used over the last two decades. The choice among all techniques is a function of a number of parameters such as: the relevant particles physical properties, sampling and measuring time, access to available facilities and the costs associated to equipment acquisition, among other considerations. An analytical guide map is presented as a guideline for choosing the most appropriated technique for a given analytical information required. Copyright © 2018 Elsevier Ltd. All rights reserved.

Hybrid Analytical and Data-Driven Modeling for Feed-Forward Robot Control †

PubMed Central

Reinhart, René Felix; Shareef, Zeeshan; Steil, Jochen Jakob

2017-01-01

Feed-forward model-based control relies on models of the controlled plant, e.g., in robotics on accurate knowledge of manipulator kinematics or dynamics. However, mechanical and analytical models do not capture all aspects of a plant’s intrinsic properties and there remain unmodeled dynamics due to varying parameters, unmodeled friction or soft materials. In this context, machine learning is an alternative suitable technique to extract non-linear plant models from data. However, fully data-based models suffer from inaccuracies as well and are inefficient if they include learning of well known analytical models. This paper thus argues that feed-forward control based on hybrid models comprising an analytical model and a learned error model can significantly improve modeling accuracy. Hybrid modeling here serves the purpose to combine the best of the two modeling worlds. The hybrid modeling methodology is described and the approach is demonstrated for two typical problems in robotics, i.e., inverse kinematics control and computed torque control. The former is performed for a redundant soft robot and the latter for a rigid industrial robot with redundant degrees of freedom, where a complete analytical model is not available for any of the platforms. PMID:28208697

Theoretical considerations on the optogalvanic detection of laser induced fluorescence in atmospheric pressure atomizers

NASA Astrophysics Data System (ADS)

Omenetto, N.; Smith, B. W.; Winefordner, J. D.

1989-01-01

Several theoretical considerations are given on the potential and practical capabilities of a detector of fluorescence radiation whose operating principle is based on a multi-step excitation-ionization scheme involving the fluorescence photons as the first excitation step. This detection technique, which was first proposed by MATVEEVet al. [ Zh. Anal Khim.34, 846 (1979)], combines two independent atomizers, one analytical cell for the excitation of the sample fluorescence and one cell, filled with pure analyte atomic vapor, acting as the ionization detector. One laser beam excites the analyte fluorescence in the analytical cell and one (or two) laser beams are used to ionize the excited atoms in the detector. Several different causes of signal and noise are evaluated, together with a discussion on possible analytical atom reservoirs (flames, furnaces) and laser sources which could be used with this approach. For properly devised conditions, i.e. optical saturation of the fluorescence and unity ionization efficiency, detection limits well below pg/ml in solution and well below femtograms as absolute amounts in furnaces can be predicted. However, scattering problems, which are absent in a conventional laser-enhanced ionization set-up, may be important in this approach.

Hybrid Analytical and Data-Driven Modeling for Feed-Forward Robot Control.

PubMed

Reinhart, René Felix; Shareef, Zeeshan; Steil, Jochen Jakob

2017-02-08

Feed-forward model-based control relies on models of the controlled plant, e.g., in robotics on accurate knowledge of manipulator kinematics or dynamics. However, mechanical and analytical models do not capture all aspects of a plant's intrinsic properties and there remain unmodeled dynamics due to varying parameters, unmodeled friction or soft materials. In this context, machine learning is an alternative suitable technique to extract non-linear plant models from data. However, fully data-based models suffer from inaccuracies as well and are inefficient if they include learning of well known analytical models. This paper thus argues that feed-forward control based on hybrid models comprising an analytical model and a learned error model can significantly improve modeling accuracy. Hybrid modeling here serves the purpose to combine the best of the two modeling worlds. The hybrid modeling methodology is described and the approach is demonstrated for two typical problems in robotics, i.e., inverse kinematics control and computed torque control. The former is performed for a redundant soft robot and the latter for a rigid industrial robot with redundant degrees of freedom, where a complete analytical model is not available for any of the platforms.

Combination of nano-material enrichment and dead-end filtration for uniform and rapid sample preparation in matrix-assisted laser desorption/ionization mass spectrometry.

PubMed

Wu, Zengnan; Khan, Mashooq; Mao, Sifeng; Lin, Ling; Lin, Jin-Ming

2018-05-01

Matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) is a fast analysis tool for the detection of a wide range of analytes. However, heterogeneous distribution of matrix/analyte cocrystal, variation in signal intensity and poor experimental reproducibility at different locations of the same spot means difficulty in quantitative analysis. In this work, carbon nanotubes (CNTs) were employed as adsorbent for analyte cum matrix on a conductive porous membrane as a novel mass target plate. The sample pretreatment step was achieved by enrichment and dead-end filtration and dried by a solid-liquid separation. This approach enables the homogeneous distribution of analyte in the matrix, good shot-to-shot reproducibility in signals and quantitative detection of peptide and protein at different concentrations with correlation coefficient (R 2 ) of 0.9920 and 0.9909, respectively. The simple preparation of sample in a short time, uniform distribution of analyte, easy quantitative detection, and high reproducibility makes this technique useful and may diversify the application of MALDI-MS for quantitative detection of a variety of proteins. Copyright © 2018 Elsevier B.V. All rights reserved.

The effect on reliability and sensitivity to level of training of combining analytic and holistic rating scales for assessing communication skills in an internal medicine resident OSCE.

PubMed

Daniels, Vijay John; Harley, Dwight

2017-07-01

Although previous research has compared checklists to rating scales for assessing communication, the purpose of this study was to compare the effect on reliability and sensitivity to level of training of an analytic, a holistic, and a combined analytic-holistic rating scale in assessing communication skills. The University of Alberta Internal Medicine Residency runs OSCEs for postgraduate year (PGY) 1 and 2 residents and another for PGY-4 residents. Communication stations were scored with an analytic scale (empathy, non-verbal skills, verbal skills, and coherence subscales) and a holistic scale. Authors analyzed reliability of individual and combined scales using generalizability theory and evaluated each scale's sensitivity to level of training. For analytic, holistic, and combined scales, 12, 12, and 11 stations respectively yielded a Phi of 0.8 for the PGY-1,2 cohort, and 16, 16, and 14 stations yielded a Phi of 0.8 for the PGY-4 cohort. PGY-4 residents scored higher on the combined scale, the analytic rating scale, and the non-verbal and coherence subscales. A combined analytic-holistic rating scale increased score reliability and was sensitive to level of training. Given increased validity evidence, OSCE developers should consider combining analytic and holistic scales when assessing communication skills. Copyright © 2017 Elsevier B.V. All rights reserved.

Modelling a suitable location for Urban Solid Waste Management using AHP method and GIS -A geospatial approach and MCDM Model

NASA Astrophysics Data System (ADS)

Iqbal, M.; Islam, A.; Hossain, A.; Mustaque, S.

2016-12-01

Multi-Criteria Decision Making(MCDM) is advanced analytical method to evaluate appropriate result or decision from multiple criterion environment. Present time in advanced research, MCDM technique is progressive analytical process to evaluate a logical decision from various conflict. In addition, Present day Geospatial approach (e.g. Remote sensing and GIS) also another advanced technical approach in a research to collect, process and analyze various spatial data at a time. GIS and Remote sensing together with the MCDM technique could be the best platform to solve a complex decision making process. These two latest process combined very effectively used in site selection for solid waste management in urban policy. The most popular MCDM technique is Weighted Linear Method (WLC) where Analytical Hierarchy Process (AHP) is another popular and consistent techniques used in worldwide as dependable decision making. Consequently, the main objective of this study is improving a AHP model as MCDM technique with Geographic Information System (GIS) to select a suitable landfill site for urban solid waste management. Here AHP technique used as a MCDM tool to select the best suitable landfill location for urban solid waste management. To protect the urban environment in a sustainable way municipal waste needs an appropriate landfill site considering environmental, geological, social and technical aspect of the region. A MCDM model generate from five class related which related to environmental, geological, social and technical using AHP method and input the result set in GIS for final model location for urban solid waste management. The final suitable location comes out that 12.2% of the area corresponds to 22.89 km2 considering the total study area. In this study, Keraniganj sub-district of Dhaka district in Bangladesh is consider as study area which is densely populated city currently undergoes an unmanaged waste management system especially the suitable landfill sites for waste dumping site.

PHARMACEUTICAL AND BIOMEDICAL APPLICATIONS OF AFFINITY CHROMATOGRAPHY: RECENT TRENDS AND DEVELOPMENTS

PubMed Central

Hage, David S.; Anguizola, Jeanethe A.; Bi, Cong; Li, Rong; Matsuda, Ryan; Papastavros, Efthimia; Pfaunmiller, Erika; Vargas, John; Zheng, Xiwei

2012-01-01

Affinity chromatography is a separation technique that has become increasingly important in work with biological samples and pharmaceutical agents. This method is based on the use of a biologically-related agent as a stationary phase to selectively retain analytes or to study biological interactions. This review discusses the basic principles behind affinity chromatography and examines recent developments that have occurred in the use of this method for biomedical and pharmaceutical analysis. Techniques based on traditional affinity supports are discussed, but an emphasis is placed on methods in which affinity columns are used as part of HPLC systems or in combination with other analytical methods. General formats for affinity chromatography that are considered include step elution schemes, weak affinity chromatography, affinity extraction and affinity depletion. Specific separation techniques that are examined include lectin affinity chromatography, boronate affinity chromatography, immunoaffinity chromatography, and immobilized metal ion affinity chromatography. Approaches for the study of biological interactions by affinity chromatography are also presented, such as the measurement of equilibrium constants, rate constants, or competition and displacement effects. In addition, related developments in the use of immobilized enzyme reactors, molecularly imprinted polymers, dye ligands and aptamers are briefly considered. PMID:22305083

Analytical Strategies to Disclose Repeated Consumption of New Psychoactive Substances by Hair Analysis.

PubMed

Rotolo, Maria C; Klein, Julia; Pacifici, Roberta; Busardo, Francesco Paolo; Pichini, Simona; Marchei, Emilia

2017-01-01

New psychoactive substances (NPS) are a heterogenic group of substances with different chemical structures and psychotropic effects. Many pharmacotoxicological laboratories performing drug testing in conventional and nonconventional biological matrices for clinical and forensic purposes do not include screening procedures for NPS in their routine protocols. This is mainly due to the continued entry in the market of newly synthesized products, the low availability of reference standards, in particular of their metabolites, the low availability of immunochemical kits, etc. Moreover, many of the new compounds are very potent, and low doses ingested will lead to low concentrations in biological matrices, especially in hair. Hair analysis has become a powerful tool for detecting chronic drug use and has become a routine technique in forensic toxicology laboratories. The aim of this study was to set up analytical strategies to identify repeated consumption of NPS by hair analysis. Although UHPLC-MS/MS may represent the elective technique in studying NPS, a combination of both GC-MS and UHPLC-MS/MS techniques is useful in creating a complete toxicological image. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Chemical fractionation-enhanced structural characterization of marine dissolved organic matter

NASA Astrophysics Data System (ADS)

Arakawa, N.; Aluwihare, L.

2016-02-01

Describing the molecular fingerprint of dissolved organic matter (DOM) requires sample processing methods and separation techniques that can adequately minimize its complexity. We have employed acid hydrolysis as a way to make the subcomponents of marine solid phase-extracted (PPL) DOM more accessible to analytical techniques. Using a combination of NMR and chemical derivatization or reduction analyzed by comprehensive (GCxGC) gas chromatography, we observed chemical features strikingly similar to terrestrial DOM. In particular, we observed reduced alicylic hydrocarbons believed to be the backbone of previously identified carboxylic rich alicyclic material (CRAM). Additionally, we found carbohydrates, amino acids and small lipids and acids.

Deformation mechanics of deep surface flaw cracks

NASA Technical Reports Server (NTRS)

Francis, P. H.; Nagy, A.; Beissner, R. E.

1972-01-01

A combined analytical and experimental program was conducted to determine the deformation characteristics of deep surface cracks in Mode I loading. An approximate plane finite element analysis was performed to make a parameter study on the influence of crack depth, crack geometry, and stress level on plastic zones, crack opening displacement, and back surface dimpling in Fe-3Si steel and 2219-T87 aluminum. Surface replication and profiling techniques were used to examine back surface dimple configurations in 2219-T87 aluminum. Interferometry and holography were used to evaluate the potential of various optical techniques to detect small surface dimples on large surface areas.

Automated Predictive Big Data Analytics Using Ontology Based Semantics.

PubMed

Nural, Mustafa V; Cotterell, Michael E; Peng, Hao; Xie, Rui; Ma, Ping; Miller, John A

2015-10-01

Predictive analytics in the big data era is taking on an ever increasingly important role. Issues related to choice on modeling technique, estimation procedure (or algorithm) and efficient execution can present significant challenges. For example, selection of appropriate and optimal models for big data analytics often requires careful investigation and considerable expertise which might not always be readily available. In this paper, we propose to use semantic technology to assist data analysts and data scientists in selecting appropriate modeling techniques and building specific models as well as the rationale for the techniques and models selected. To formally describe the modeling techniques, models and results, we developed the Analytics Ontology that supports inferencing for semi-automated model selection. The SCALATION framework, which currently supports over thirty modeling techniques for predictive big data analytics is used as a testbed for evaluating the use of semantic technology.

Automated Predictive Big Data Analytics Using Ontology Based Semantics

PubMed Central

Nural, Mustafa V.; Cotterell, Michael E.; Peng, Hao; Xie, Rui; Ma, Ping; Miller, John A.

2017-01-01

Predictive analytics in the big data era is taking on an ever increasingly important role. Issues related to choice on modeling technique, estimation procedure (or algorithm) and efficient execution can present significant challenges. For example, selection of appropriate and optimal models for big data analytics often requires careful investigation and considerable expertise which might not always be readily available. In this paper, we propose to use semantic technology to assist data analysts and data scientists in selecting appropriate modeling techniques and building specific models as well as the rationale for the techniques and models selected. To formally describe the modeling techniques, models and results, we developed the Analytics Ontology that supports inferencing for semi-automated model selection. The SCALATION framework, which currently supports over thirty modeling techniques for predictive big data analytics is used as a testbed for evaluating the use of semantic technology. PMID:29657954

Oscillations and Multiple Equilibria in Microvascular Blood Flow.

PubMed

Karst, Nathaniel J; Storey, Brian D; Geddes, John B

2015-07-01

We investigate the existence of oscillatory dynamics and multiple steady-state flow rates in a network with a simple topology and in vivo microvascular blood flow constitutive laws. Unlike many previous analytic studies, we employ the most biologically relevant models of the physical properties of whole blood. Through a combination of analytic and numeric techniques, we predict in a series of two-parameter bifurcation diagrams a range of dynamical behaviors, including multiple equilibria flow configurations, simple oscillations in volumetric flow rate, and multiple coexistent limit cycles at physically realizable parameters. We show that complexity in network topology is not necessary for complex behaviors to arise and that nonlinear rheology, in particular the plasma skimming effect, is sufficient to support oscillatory dynamics similar to those observed in vivo.

Approximate transient and long time limit solutions for the band broadening induced by the thin sidewall-layer in liquid chromatography columns.

PubMed

Broeckhoven, Ken; Desmet, Gert

2007-11-16

Using a combination of both analytical and numerical techniques, approximate analytical expressions have been established for the transient and long time limit band broadening, originating from the presence of a thin disturbed sidewall layer in liquid chromatography columns, including packed, monolithic as well as microfabricated columns. The established expressions can be used to compare the importance of a thin disturbed sidewall layer with that of other radial heterogeneity effects (such as transcolumn packing density variations due to the relief of packing stresses). The expressions are independent of the actual velocity profile inside the layer as long as the disturbed sidewall layer occupies less than 2.5% of the column width.

A simple way to synthesize large-scale Cu2O/Ag nanoflowers for ultrasensitive surface-enhanced Raman scattering detection

NASA Astrophysics Data System (ADS)

Zou, Junyan; Song, Weijia; Xie, Weiguang; Huang, Bo; Yang, Huidong; Luo, Zhi

2018-03-01

Here, we report a simple strategy to prepare highly sensitive surface-enhanced Raman spectroscopy (SERS) substrates based on Ag decorated Cu2O nanoparticles by combining two common techniques, viz, thermal oxidation growth of Cu2O nanoparticles and magnetron sputtering fabrication of a Ag nanoparticle film. Methylene blue is used as the Raman analyte for the SERS study, and the substrates fabricated under optimized conditions have very good sensitivity (analytical enhancement factor ˜108), stability, and reproducibility. A linear dependence of the SERS intensities with the concentration was obtained with an R 2 value >0.9. These excellent properties indicate that the substrate has great potential in the detection of biological and chemical substances.

Discourse for slide presentation: An overview of chemical detection systems

NASA Technical Reports Server (NTRS)

Peters, Randy Alan; Galen, Theodore J.; Pierson, Duane L.

1990-01-01

A brief overview of some of the analytical techniques currently used in monitoring and analyzing permanent gases and selected volatile organic compound in air are presented. Some of the analytical considerations in developing a specific method are discussed. Four broad groups of hardware are discussed: compound class specific personal monitors, gas chromatographic systems, infrared spectroscopic systems, and mass spectrometric residual gas analyzer systems. Three types of detectors are also discussed: catalytic sensor based systems, photoionization detectors, and wet or dry chemical reagent systems. Under gas chromatograph based systems five detector systems used in combination with a GC are covered: thermal conductivity detectors, photoionization detectors, Fourier transform infrared spectrophotometric systems, quadrapole mass spectrometric systems, and a relatively recent development, a surface acoustic wave vapor detector.

Comparison of commercial analytical techniques for measuring chlorine dioxide in urban desalinated drinking water.

PubMed

Ammar, T A; Abid, K Y; El-Bindary, A A; El-Sonbati, A Z

2015-12-01

Most drinking water industries are closely examining options to maintain a certain level of disinfectant residual through the entire distribution system. Chlorine dioxide is one of the promising disinfectants that is usually used as a secondary disinfectant, whereas the selection of the proper monitoring analytical technique to ensure disinfection and regulatory compliance has been debated within the industry. This research endeavored to objectively compare the performance of commercially available analytical techniques used for chlorine dioxide measurements (namely, chronoamperometry, DPD (N,N-diethyl-p-phenylenediamine), Lissamine Green B (LGB WET) and amperometric titration), to determine the superior technique. The commonly available commercial analytical techniques were evaluated over a wide range of chlorine dioxide concentrations. In reference to pre-defined criteria, the superior analytical technique was determined. To discern the effectiveness of such superior technique, various factors, such as sample temperature, high ionic strength, and other interferences that might influence the performance were examined. Among the four techniques, chronoamperometry technique indicates a significant level of accuracy and precision. Furthermore, the various influencing factors studied did not diminish the technique's performance where it was fairly adequate in all matrices. This study is a step towards proper disinfection monitoring and it confidently assists engineers with chlorine dioxide disinfection system planning and management.

Assessment of sample preservation techniques for pharmaceuticals, personal care products, and steroids in surface and drinking water.

PubMed

Vanderford, Brett J; Mawhinney, Douglas B; Trenholm, Rebecca A; Zeigler-Holady, Janie C; Snyder, Shane A

2011-02-01

Proper collection and preservation techniques are necessary to ensure sample integrity and maintain the stability of analytes until analysis. Data from improperly collected and preserved samples could lead to faulty conclusions and misinterpretation of the occurrence and fate of the compounds being studied. Because contaminants of emerging concern, such as pharmaceuticals and personal care products (PPCPs) and steroids, generally occur in surface and drinking water at ng/L levels, these compounds in particular require such protocols to accurately assess their concentrations. In this study, sample bottle types, residual oxidant quenching agents, preservation agents, and hold times were assessed for 21 PPCPs and steroids in surface water and finished drinking water. Amber glass bottles were found to have the least effect on target analyte concentrations, while high-density polyethylene bottles had the most impact. Ascorbic acid, sodium thiosulfate, and sodium sulfite were determined to be acceptable quenching agents and preservation with sodium azide at 4 °C led to the stability of the most target compounds. A combination of amber glass bottles, ascorbic acid, and sodium azide preserved analyte concentrations for 28 days in the tested matrices when held at 4 °C. Samples without a preservation agent were determined to be stable for all but two of the analytes when stored in amber glass bottles at 4 °C for 72 h. Results suggest that if improper protocols are utilized, reported concentrations of target PPCPs and steroids may be inaccurate.

Molecular modeling of polymer composite interactions with analytes in electronic nose sensors for environmental monitoring in International Space Station

NASA Technical Reports Server (NTRS)

Shevade, A. V.; Ryan, M. A.; Homer, M. L.; Manfreda, A. M.; Zhou, H.; Manatt, K.

2002-01-01

We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL Electronic Nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings (with no hydrogens). The Dreiding 2.21 force field is used for the polymer and solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4- vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic (ammonia) and organic (methanol, toluene, hydrazine) compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites.

Advances in organic-inorganic hybrid sorbents for the extraction of organic and inorganic pollutants in different types of food and environmental samples.

PubMed

Ng, Nyuk-Ting; Kamaruddin, Amirah Farhan; Wan Ibrahim, Wan Aini; Sanagi, Mohd Marsin; Abdul Keyon, Aemi S

2018-01-01

The efficiency of the extraction and removal of pollutants from food and the environment has been an important issue in analytical science. By incorporating inorganic species into an organic matrix, a new material known as an organic-inorganic hybrid material is formed. As it possesses high selectivity, permeability, and mechanical and chemical stabilities, organic-inorganic hybrid materials constitute an emerging research field and have become popular to serve as sorbents in various separaton science methods. Here, we review recent significant advances in analytical solid-phase extraction employing organic-inorganic composite/nanocomposite sorbents for the extraction of organic and inorganic pollutants from various types of food and environmental matrices. The physicochemical characteristics, extraction properties, and analytical performances of sorbents are discussed; including morphology and surface characteristics, types of functional groups, interaction mechanism, selectivity and sensitivity, accuracy, and regeneration abilities. Organic-inorganic hybrid sorbents combined with extraction techniques are highly promising for sample preparation of various food and environmental matrixes with analytes at trace levels. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molecular modeling of polymer composite-analyte interactions in electronic nose sensors

NASA Technical Reports Server (NTRS)

Shevade, A. V.; Ryan, M. A.; Homer, M. L.; Manfreda, A. M.; Zhou, H.; Manatt, K. S.

2003-01-01

We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL electronic nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereoisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings with no hydrogens. The Dreiding 2.21 force field is used for the polymer, solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4-vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic and organic compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites. c2003 Elsevier Science B.V. All rights reserved.

[Utilization of Big Data in Medicine and Future Outlook].

PubMed

Kinosada, Yasutomi; Uematsu, Machiko; Fujiwara, Takuya

2016-03-01

"Big data" is a new buzzword. The point is not to be dazzled by the volume of data, but rather to analyze it, and convert it into insights, innovations, and business value. There are also real differences between conventional analytics and big data. In this article, we show some results of big data analysis using open DPC (Diagnosis Procedure Combination) data in areas of the central part of JAPAN: Toyama, Ishikawa, Fukui, Nagano, Gifu, Aichi, Shizuoka, and Mie Prefectures. These 8 prefectures contain 51 medical administration areas called the second medical area. By applying big data analysis techniques such as k-means, hierarchical clustering, and self-organizing maps to DPC data, we can visualize the disease structure and detect similarities or variations among the 51 second medical areas. The combination of a big data analysis technique and open DPC data is a very powerful method to depict real figures on patient distribution in Japan.

TomoPhantom, a software package to generate 2D-4D analytical phantoms for CT image reconstruction algorithm benchmarks

NASA Astrophysics Data System (ADS)

Kazantsev, Daniil; Pickalov, Valery; Nagella, Srikanth; Pasca, Edoardo; Withers, Philip J.

2018-01-01

In the field of computerized tomographic imaging, many novel reconstruction techniques are routinely tested using simplistic numerical phantoms, e.g. the well-known Shepp-Logan phantom. These phantoms cannot sufficiently cover the broad spectrum of applications in CT imaging where, for instance, smooth or piecewise-smooth 3D objects are common. TomoPhantom provides quick access to an external library of modular analytical 2D/3D phantoms with temporal extensions. In TomoPhantom, quite complex phantoms can be built using additive combinations of geometrical objects, such as, Gaussians, parabolas, cones, ellipses, rectangles and volumetric extensions of them. Newly designed phantoms are better suited for benchmarking and testing of different image processing techniques. Specifically, tomographic reconstruction algorithms which employ 2D and 3D scanning geometries, can be rigorously analyzed using the software. TomoPhantom also provides a capability of obtaining analytical tomographic projections which further extends the applicability of software towards more realistic, free from the "inverse crime" testing. All core modules of the package are written in the C-OpenMP language and wrappers for Python and MATLAB are provided to enable easy access. Due to C-based multi-threaded implementation, volumetric phantoms of high spatial resolution can be obtained with computational efficiency.

Analysis of small droplets with a new detector for liquid chromatography based on laser-induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Janzen, Christoph; Fleige, Rüdiger; Noll, Reinhard; Schwenke, Heinrich; Lahmann, Wilhelm; Knoth, Joachim; Beaven, Peter; Jantzen, Eckard; Oest, Andreas; Koke, Peter

2005-08-01

The miniaturization of analytical techniques is a general trend in speciation analytics. We have developed a new analytical technique combining high pressure liquid chromatography (HPLC) with laser-induced breakdown spectroscopy (LIBS). This enables a molecule-specific separation followed by an element-specific analysis of smallest amounts of complex samples. The liquid flow coming from a HPLC pump is transformed into a continuous stream of small droplets (diameter 50-100 μm, volume 65-500 pl) using a piezoelectric pulsed nozzle. After the detection of single droplets with a droplet detector, a Q-switched Nd:YAG Laser is triggered to emit a synchronized laser pulse that irradiates a single droplet. The droplets are evaporated and transformed to the plasma state. The spectrum emitted from the plasma is collected by a spherical mirror and directed through the entrance slit of a Paschen-Runge spectrometer equipped with channel photomultipliers. The spectrometer detects 31 elements simultaneously covering a spectral range from 120 to 589 nm. Purging the measurement chamber with argon enables the detection of vacuum-UV lines. Since the sample is transferred to the plasma state without dilution, very low flow rates in the sub-μl/min range can be realised.

Introductory comments on the USGS geographic applications program

NASA Technical Reports Server (NTRS)

Gerlach, A. C.

1970-01-01

The third phase of remote sensing technologies and potentials applied to the operations of the U.S. Geological Survey is introduced. Remote sensing data with multidisciplinary spatial data from traditional sources is combined with geographic theory and techniques of environmental modeling. These combined imputs are subject to four sequential activities that involve: (1) thermatic mapping of land use and environmental factors; (2) the dynamics of change detection; (3) environmental surveillance to identify sudden changes and general trends; and (4) preparation of statistical model and analytical reports. Geography program functions, products, clients, and goals are presented in graphical form, along with aircraft photo missions, geography test sites, and FY-70.

An iterative analytical technique for the design of interplanetary direct transfer trajectories including perturbations

NASA Astrophysics Data System (ADS)

Parvathi, S. P.; Ramanan, R. V.

2018-06-01

An iterative analytical trajectory design technique that includes perturbations in the departure phase of the interplanetary orbiter missions is proposed. The perturbations such as non-spherical gravity of Earth and the third body perturbations due to Sun and Moon are included in the analytical design process. In the design process, first the design is obtained using the iterative patched conic technique without including the perturbations and then modified to include the perturbations. The modification is based on, (i) backward analytical propagation of the state vector obtained from the iterative patched conic technique at the sphere of influence by including the perturbations, and (ii) quantification of deviations in the orbital elements at periapsis of the departure hyperbolic orbit. The orbital elements at the sphere of influence are changed to nullify the deviations at the periapsis. The analytical backward propagation is carried out using the linear approximation technique. The new analytical design technique, named as biased iterative patched conic technique, does not depend upon numerical integration and all computations are carried out using closed form expressions. The improved design is very close to the numerical design. The design analysis using the proposed technique provides a realistic insight into the mission aspects. Also, the proposed design is an excellent initial guess for numerical refinement and helps arrive at the four distinct design options for a given opportunity.

The influence of ns- and fs-LA plume local conditions on the performance of a combined LIBS/LA-ICP-MS sensor

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

LaHaye, Nicole L.; Phillips, Mark C.; Duffin, Andrew M.

2016-01-01

Both laser-induced breakdown spectroscopy (LIBS) and laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) are well-established analytical techniques with their own unique advantages and disadvantages. The combination of the two analytical methods is a very promising way to overcome the challenges faced by each method individually. We made a comprehensive comparison of local plasma conditions between nanosecond (ns) and femtosecond (fs) laser ablation (LA) sources in a combined LIBS and LA-ICP-MS system. The optical emission spectra and ICP-MS signal were recorded simultaneously for both ns- and fs-LA and figures of merit of the system were analyzed. Characterization of the plasma was conductedmore » by evaluating temperature and density of the plume under various irradiation conditions using optical emission spectroscopy, and correlations to ns- and fs-LIBS and LA-ICP-MS signal were made. The present study is very useful for providing conditions for a multimodal system as well as giving insight into how laser ablation plume parameters are related to LA-ICP-MS and LIBS results for both ns- and fs-LA.« less

Chemical-mineralogical characterization of C and D waste recycled aggregates from Sao Paulo, Brazil

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

Angulo, S.C.; Ulsen, C.; John, V.M.

2009-02-15

This study presents a methodology for the characterization of construction and demolition (C and D) waste recycled aggregates based on a combination of analytical techniques (X-ray fluorescence (XRF), soluble ions, semi-quantitative X-ray diffraction (XRD), thermogravimetric analysis (TGA-DTG) and hydrochloric acid (HCl) selective dissolution). These combined analytical techniques allow for the estimation of the amount of cement paste, its most important hydrated and carbonated phases, as well as the amount of clay and micas. Details of the methodology are presented here and the results of three representative C and D samples taken from the Sao Paulo region in Brazil are discussed.more » Chemical compositions of mixed C and D aggregate samples have mostly been influenced by particle size rather than the visual classification of C and D into red or grey and geographical origin. The amount of measured soluble salts in C and D aggregates (0.15-25.4 mm) is lower than the usual limits for mortar and concrete production. The content of porous cement paste in the C and D aggregates is around 19.3% (w/w). However, this content is significantly lower than the 43% detected for the C and D powders (<0.15 mm). The clay content of the powders was also high, potentially resulting from soil intermixed with the C and D waste, as well as poorly burnt red ceramic. Since only about 50% of the measured CaO is combined with CO{sub 2}, the powders have potential use as raw materials for the cement industry.« less

Reference Intervals of Common Clinical Chemistry Analytes for Adults in Hong Kong.

PubMed

Lo, Y C; Armbruster, David A

2012-04-01

Defining reference intervals is a major challenge because of the difficulty in recruiting volunteers to participate and testing samples from a significant number of healthy reference individuals. Historical literature citation intervals are often suboptimal because they're be based on obsolete methods and/or only a small number of poorly defined reference samples. Blood donors in Hong Kong gave permission for additional blood to be collected for reference interval testing. The samples were tested for twenty-five routine analytes on the Abbott ARCHITECT clinical chemistry system. Results were analyzed using the Rhoads EP evaluator software program, which is based on the CLSI/IFCC C28-A guideline, and defines the reference interval as the 95% central range. Method specific reference intervals were established for twenty-five common clinical chemistry analytes for a Chinese ethnic population. The intervals were defined for each gender separately and for genders combined. Gender specific or combined gender intervals were adapted as appropriate for each analyte. A large number of healthy, apparently normal blood donors from a local ethnic population were tested to provide current reference intervals for a new clinical chemistry system. Intervals were determined following an accepted international guideline. Laboratories using the same or similar methodologies may adapt these intervals if deemed validated and deemed suitable for their patient population. Laboratories using different methodologies may be able to successfully adapt the intervals for their facilities using the reference interval transference technique based on a method comparison study.

Analytic Methods for Evaluating Patterns of Multiple Congenital Anomalies in Birth Defect Registries.

PubMed

Agopian, A J; Evans, Jane A; Lupo, Philip J

2018-01-15

It is estimated that 20 to 30% of infants with birth defects have two or more birth defects. Among these infants with multiple congenital anomalies (MCA), co-occurring anomalies may represent either chance (i.e., unrelated etiologies) or pathogenically associated patterns of anomalies. While some MCA patterns have been recognized and described (e.g., known syndromes), others have not been identified or characterized. Elucidating these patterns may result in a better understanding of the etiologies of these MCAs. This article reviews the literature with regard to analytic methods that have been used to evaluate patterns of MCAs, in particular those using birth defect registry data. A popular method for MCA assessment involves a comparison of the observed to expected ratio for a given combination of MCAs, or one of several modified versions of this comparison. Other methods include use of numerical taxonomy or other clustering techniques, multiple regression analysis, and log-linear analysis. Advantages and disadvantages of these approaches, as well as specific applications, were outlined. Despite the availability of multiple analytic approaches, relatively few MCA combinations have been assessed. The availability of large birth defects registries and computing resources that allow for automated, big data strategies for prioritizing MCA patterns may provide for new avenues for better understanding co-occurrence of birth defects. Thus, the selection of an analytic approach may depend on several considerations. Birth Defects Research 110:5-11, 2018. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Fast targeted analysis of 132 acidic and neutral drugs and poisons in whole blood using LC-MS/MS.

PubMed

Di Rago, Matthew; Saar, Eva; Rodda, Luke N; Turfus, Sophie; Kotsos, Alex; Gerostamoulos, Dimitri; Drummer, Olaf H

2014-10-01

The aim of this study was to develop an LC-MS/MS based screening technique that covers a broad range of acidic and neutral drugs and poisons by combining a small sample volume and efficient extraction technique with simple automated data processing. After protein precipitation of 100μL of whole blood, 132 common acidic and neutral drugs and poisons including non-steroidal anti-inflammatory drugs, barbiturates, anticonvulsants, antidiabetics, muscle relaxants, diuretics and superwarfarin rodenticides (47 quantitated, 85 reported as detected) were separated using a Shimadzu Prominence HPLC system with a C18 separation column (Kinetex XB-C18, 4.6mm×150mm, 5μm), using gradient elution with a mobile phase of 25mM ammonium acetate buffer (pH 7.5)/acetonitrile. The drugs were detected using an ABSciex(®) API 2000 LC-MS/MS system (ESI+ and -, MRM mode, two transitions per analyte). The method was fully validated in accordance with international guidelines. Quantification data obtained using one-point calibration compared favorably to that using multiple calibrants. The presented LC-MS/MS assay has proven to be applicable for determination of the analytes in blood. The fast and reliable extraction method combined with automated processing gives the opportunity for high throughput and fast turnaround times for forensic and clinical toxicology. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Depth-resolved monitoring of analytes diffusion in ocular tissues

NASA Astrophysics Data System (ADS)

Larin, Kirill V.; Ghosn, Mohamad G.; Tuchin, Valery V.

2007-02-01

Optical coherence tomography (OCT) is a noninvasive imaging technique with high in-depth resolution. We employed OCT technique for monitoring and quantification of analyte and drug diffusion in cornea and sclera of rabbit eyes in vitro. Different analytes and drugs such as metronidazole, dexamethasone, ciprofloxacin, mannitol, and glucose solution were studied and whose permeability coefficients were calculated. Drug diffusion monitoring was performed as a function of time and as a function of depth. Obtained results suggest that OCT technique might be used for analyte diffusion studies in connective and epithelial tissues.

Methodological development of topographic correction in 2D/3D ToF-SIMS images using AFM images

NASA Astrophysics Data System (ADS)

Jung, Seokwon; Lee, Nodo; Choi, Myungshin; Lee, Jungmin; Cho, Eunkyunng; Joo, Minho

2018-02-01

Time-of-flight secondary-ion mass spectrometry (ToF-SIMS) is an emerging technique that provides chemical information directly from the surface of electronic materials, e.g. OLED and solar cell. It is very versatile and highly sensitive mass spectrometric technique that provides surface molecular information with their lateral distribution as a two-dimensional (2D) molecular image. Extending the usefulness of ToF-SIMS, a 3D molecular image can be generated by acquiring multiple 2D images in a stack. These imaging techniques by ToF-SIMS provide an insight into understanding the complex structures of unknown composition in electronic material. However, one drawback in ToF-SIMS is not able to represent topographical information in 2D and 3D mapping images. To overcome this technical limitation, topographic information by ex-situ technique such as atomic force microscopy (AFM) has been combined with chemical information from SIMS that provides both chemical and physical information in one image. The key to combine two different images obtained from ToF-SIMS and AFM techniques is to develop the image processing algorithm, which performs resize and alignment by comparing the specific pixel information of each image. In this work, we present methodological development of the semiautomatic alignment and the 3D structure interpolation system for the combination of 2D/3D images obtained by ToF-SIMS and AFM measurements, which allows providing useful analytical information in a single representation.

On-line focusing of flavin derivatives using Dynamic pH junction-sweeping capillary electrophoresis with laser-induced fluorescence detection.

PubMed

Britz-McKibbin, Philip; Otsuka, Koji; Terabe, Shigeru

2002-08-01

Simple yet effective methods to enhance concentration sensitivity is needed for capillary electrophoresis (CE) to become a practical method to analyze trace levels of analytes in real samples. In this report, the development of a novel on-line preconcentration technique combining dynamic pH junction and sweeping modes of focusing is applied to the sensitive and selective analysis of three flavin derivatives: riboflavin, flavin mononucleotide (FMN) and flavin adenine dinucleotide (FAD). Picomolar (pM) detectability of flavins by CE with laser-induced fluorescence (LIF) detection is demonstrated through effective focusing of large sample volumes (up to 22% capillary length) using a dual pH junction-sweeping focusing mode. This results in greater than a 1,200-fold improvement in sensitivity relative to conventional injection methods, giving a limit of detection (S/N = 3) of approximately 4.0 pM for FAD and FMN. Flavin focusing is examined in terms of analyte mobility dependence on buffer pH, borate complexation and SDS interaction. Dynamic pH junction-sweeping extends on-line focusing to both neutral (hydrophobic) and weakly acidic (hydrophilic) species and is considered useful in cases when either conventional sweeping or dynamic pH junction techniques used alone are less effective for certain classes of analytes. Enhanced focusing performance by this hyphenated method was demonstrated by greater than a 4-fold reduction in flavin bandwidth, as compared to either sweeping or dynamic pH junction, reflected by analyte detector bandwidths <0.20 cm. Novel on-line focusing strategies are required to improve sensitivity in CE, which may be applied toward more effective biochemical analysis methods for diverse types of analytes.

The VAST Challenge: History, Scope, and Outcomes: An introduction to the Special Issue

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

Cook, Kristin A.; Grinstein, Georges; Whiting, Mark A.

2014-10-01

Visual analytics aims to facilitate human insight from complex data via a combination of visual representations, interaction techniques, and supporting algorithms. To create new tools and techniques that achieve this goal requires that researchers have an understanding of analytical questions to be addressed, data that illustrates the complexities and ambiguities found in realistic analytic settings, and methods for evaluating whether the plausible insights are gained through use of the new methods. However, researchers do not, generally speaking, have access to analysts who can articulate their problems or operational data that is used for analysis. To fill this gap, the Visualmore » Analytics Science and Technology (VAST) Challenge has been held annually since 2006. The VAST Challenge provides an opportunity for researchers to experiment with realistic but not real problems, using realistic synthetic data with known events embedded. Since its inception, the VAST Challenge has evolved along with the visual analytics research community to pose more complex challenges, ranging from text analysis to video analysis to large scale network log analysis. The seven years of the VAST Challenge have seen advancements in research and development, education, evaluation, and in the challenge process itself. This special issue of Information Visualization highlights some of the noteworthy advancements in each of these areas. Some of these papers focus on important research questions related to the challenge itself, and other papers focus on innovative research that has been shaped by participation in the challenge. This paper describes the VAST Challenge process and benefits in detail. It also provides an introduction to and context for the remaining papers in the issue.« less

Glycoprotein Enrichment Analytical Techniques: Advantages and Disadvantages.

PubMed

Zhu, R; Zacharias, L; Wooding, K M; Peng, W; Mechref, Y

2017-01-01

Protein glycosylation is one of the most important posttranslational modifications. Numerous biological functions are related to protein glycosylation. However, analytical challenges remain in the glycoprotein analysis. To overcome the challenges associated with glycoprotein analysis, many analytical techniques were developed in recent years. Enrichment methods were used to improve the sensitivity of detection, while HPLC and mass spectrometry methods were developed to facilitate the separation of glycopeptides/proteins and enhance detection, respectively. Fragmentation techniques applied in modern mass spectrometers allow the structural interpretation of glycopeptides/proteins, while automated software tools started replacing manual processing to improve the reliability and throughput of the analysis. In this chapter, the current methodologies of glycoprotein analysis were discussed. Multiple analytical techniques are compared, and advantages and disadvantages of each technique are highlighted. © 2017 Elsevier Inc. All rights reserved.

CHAPTER 7: Glycoprotein Enrichment Analytical Techniques: Advantages and Disadvantages

PubMed Central

Zhu, Rui; Zacharias, Lauren; Wooding, Kerry M.; Peng, Wenjing; Mechref, Yehia

2017-01-01

Protein glycosylation is one of the most important posttranslational modifications. Numerous biological functions are related to protein glycosylation. However, analytical challenges remain in the glycoprotein analysis. To overcome the challenges associated with glycoprotein analysis, many analytical techniques were developed in recent years. Enrichment methods were used to improve the sensitivity of detection while HPLC and mass spectrometry methods were developed to facilitate the separation of glycopeptides/proteins and enhance detection, respectively. Fragmentation techniques applied in modern mass spectrometers allow the structural interpretation of glycopeptides/proteins while automated software tools started replacing manual processing to improve the reliability and throughout of the analysis. In this chapter, the current methodologies of glycoprotein analysis were discussed. Multiple analytical techniques are compared, and advantages and disadvantages of each technique are highlighted. PMID:28109440

Laser Ablation-Aerosol Mass Spectrometry-Chemical Ionization Mass Spectrometry for Ambient Surface Imaging

DOE PAGES

Berry, Jennifer L.; Day, Douglas A.; Elseberg, Tim; ...

2018-02-20

Mass spectrometry imaging is becoming an increasingly common analytical technique due to its ability to provide spatially resolved chemical information. In this paper, we report a novel imaging approach combining laser ablation with two mass spectrometric techniques, aerosol mass spectrometry and chemical ionization mass spectrometry, separately and in parallel. Both mass spectrometric methods provide the fast response, rapid data acquisition, low detection limits, and high-resolution peak separation desirable for imaging complex samples. Additionally, the two techniques provide complementary information with aerosol mass spectrometry providing near universal detection of all aerosol molecules and chemical ionization mass spectrometry with a heated inletmore » providing molecular-level detail of both gases and aerosols. The two techniques operate with atmospheric pressure interfaces and require no matrix addition for ionization, allowing for samples to be investigated in their native state under ambient pressure conditions. We demonstrate the ability of laser ablation-aerosol mass spectrometry-chemical ionization mass spectrometry (LA-AMS-CIMS) to create 2D images of both standard compounds and complex mixtures. Finally, the results suggest that LA-AMS-CIMS, particularly when combined with advanced data analysis methods, could have broad applications in mass spectrometry imaging applications.« less

Laser Ablation-Aerosol Mass Spectrometry-Chemical Ionization Mass Spectrometry for Ambient Surface Imaging

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

Berry, Jennifer L.; Day, Douglas A.; Elseberg, Tim

Mass spectrometry imaging is becoming an increasingly common analytical technique due to its ability to provide spatially resolved chemical information. In this paper, we report a novel imaging approach combining laser ablation with two mass spectrometric techniques, aerosol mass spectrometry and chemical ionization mass spectrometry, separately and in parallel. Both mass spectrometric methods provide the fast response, rapid data acquisition, low detection limits, and high-resolution peak separation desirable for imaging complex samples. Additionally, the two techniques provide complementary information with aerosol mass spectrometry providing near universal detection of all aerosol molecules and chemical ionization mass spectrometry with a heated inletmore » providing molecular-level detail of both gases and aerosols. The two techniques operate with atmospheric pressure interfaces and require no matrix addition for ionization, allowing for samples to be investigated in their native state under ambient pressure conditions. We demonstrate the ability of laser ablation-aerosol mass spectrometry-chemical ionization mass spectrometry (LA-AMS-CIMS) to create 2D images of both standard compounds and complex mixtures. Finally, the results suggest that LA-AMS-CIMS, particularly when combined with advanced data analysis methods, could have broad applications in mass spectrometry imaging applications.« less

Simulation and statistics: Like rhythm and song

NASA Astrophysics Data System (ADS)

Othman, Abdul Rahman

2013-04-01

Simulation has been introduced to solve problems in the form of systems. By using this technique the following two problems can be overcome. First, a problem that has an analytical solution but the cost of running an experiment to solve is high in terms of money and lives. Second, a problem exists but has no analytical solution. In the field of statistical inference the second problem is often encountered. With the advent of high-speed computing devices, a statistician can now use resampling techniques such as the bootstrap and permutations to form pseudo sampling distribution that will lead to the solution of the problem that cannot be solved analytically. This paper discusses how a Monte Carlo simulation was and still being used to verify the analytical solution in inference. This paper also discusses the resampling techniques as simulation techniques. The misunderstandings about these two techniques are examined. The successful usages of both techniques are also explained.

Analytical Techniques and Pharmacokinetics of Gastrodia elata Blume and Its Constituents.

PubMed

Wu, Jinyi; Wu, Bingchu; Tang, Chunlan; Zhao, Jinshun

2017-07-08

Gastrodia elata Blume ( G. elata ), commonly called Tianma in Chinese, is an important and notable traditional Chinese medicine (TCM), which has been used in China as an anticonvulsant, analgesic, sedative, anti-asthma, anti-immune drug since ancient times. The aim of this review is to provide an overview of the abundant efforts of scientists in developing analytical techniques and performing pharmacokinetic studies of G. elata and its constituents, including sample pretreatment methods, analytical techniques, absorption, distribution, metabolism, excretion (ADME) and influence factors to its pharmacokinetics. Based on the reported pharmacokinetic property data of G. elata and its constituents, it is hoped that more studies will focus on the development of rapid and sensitive analytical techniques, discovering new therapeutic uses and understanding the specific in vivo mechanisms of action of G. elata and its constituents from the pharmacokinetic viewpoint in the near future. The present review discusses analytical techniques and pharmacokinetics of G. elata and its constituents reported from 1985 onwards.

Mixed Initiative Visual Analytics Using Task-Driven Recommendations

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

Cook, Kristin A.; Cramer, Nicholas O.; Israel, David

2015-12-07

Visual data analysis is composed of a collection of cognitive actions and tasks to decompose, internalize, and recombine data to produce knowledge and insight. Visual analytic tools provide interactive visual interfaces to data to support tasks involved in discovery and sensemaking, including forming hypotheses, asking questions, and evaluating and organizing evidence. Myriad analytic models can be incorporated into visual analytic systems, at the cost of increasing complexity in the analytic discourse between user and system. Techniques exist to increase the usability of interacting with such analytic models, such as inferring data models from user interactions to steer the underlying modelsmore » of the system via semantic interaction, shielding users from having to do so explicitly. Such approaches are often also referred to as mixed-initiative systems. Researchers studying the sensemaking process have called for development of tools that facilitate analytic sensemaking through a combination of human and automated activities. However, design guidelines do not exist for mixed-initiative visual analytic systems to support iterative sensemaking. In this paper, we present a candidate set of design guidelines and introduce the Active Data Environment (ADE) prototype, a spatial workspace supporting the analytic process via task recommendations invoked by inferences on user interactions within the workspace. ADE recommends data and relationships based on a task model, enabling users to co-reason with the system about their data in a single, spatial workspace. This paper provides an illustrative use case, a technical description of ADE, and a discussion of the strengths and limitations of the approach.« less

Chromatographic Techniques for Rare Earth Elements Analysis

NASA Astrophysics Data System (ADS)

Chen, Beibei; He, Man; Zhang, Huashan; Jiang, Zucheng; Hu, Bin

2017-04-01

The present capability of rare earth element (REE) analysis has been achieved by the development of two instrumental techniques. The efficiency of spectroscopic methods was extraordinarily improved for the detection and determination of REE traces in various materials. On the other hand, the determination of REEs very often depends on the preconcentration and separation of REEs, and chromatographic techniques are very powerful tools for the separation of REEs. By coupling with sensitive detectors, many ambitious analytical tasks can be fulfilled. Liquid chromatography is the most widely used technique. Different combinations of stationary phases and mobile phases could be used in ion exchange chromatography, ion chromatography, ion-pair reverse-phase chromatography and some other techniques. The application of gas chromatography is limited because only volatile compounds of REEs can be separated. Thin-layer and paper chromatography are techniques that cannot be directly coupled with suitable detectors, which limit their applications. For special demands, separations can be performed by capillary electrophoresis, which has very high separation efficiency.

3D surface pressure measurement with single light-field camera and pressure-sensitive paint

NASA Astrophysics Data System (ADS)

Shi, Shengxian; Xu, Shengming; Zhao, Zhou; Niu, Xiaofu; Quinn, Mark Kenneth

2018-05-01

A novel technique that simultaneously measures three-dimensional model geometry, as well as surface pressure distribution, with single camera is demonstrated in this study. The technique takes the advantage of light-field photography which can capture three-dimensional information with single light-field camera, and combines it with the intensity-based pressure-sensitive paint method. The proposed single camera light-field three-dimensional pressure measurement technique (LF-3DPSP) utilises a similar hardware setup to the traditional two-dimensional pressure measurement technique, with exception that the wind-on, wind-off and model geometry images are captured via an in-house-constructed light-field camera. The proposed LF-3DPSP technique was validated with a Mach 5 flared cone model test. Results show that the technique is capable of measuring three-dimensional geometry with high accuracy for relatively large curvature models, and the pressure results compare well with the Schlieren tests, analytical calculations, and numerical simulations.

FIXED DOSE COMBINATIONS WITH SELECTIVE BETA-BLOCKERS: QUANTITATIVE DETERMINATION IN BIOLOGICAL FLUIDS.

PubMed

Mahu, Ştefania Corina; Hăncianu, Monica; Agoroaei, Luminiţa; Grigoriu, Ioana Cezara; Strugaru, Anca Monica; Butnaru, Elena

2015-01-01

Hypertension is one of the most common causes of death, a complex and incompletely controlled disease for millions of patients. Metoprolol, bisoprolol, nebivolol and atenolol are selective beta-blockers frequently used in the management of arterial hypertension, alone or in fixed combination with other substances. This study presents the most used analytical methods for simultaneous determination in biological fluids of fixed combinations containing selective beta-blockers. Articles in Pub-Med, Science Direct and Wiley Journals databases published between years 2004-2014 were reviewed. Methods such as liquid chromatography--mass spectrometry--mass spectrometry (LC-MS/MS), high performance liquid chromatography (HPLC) or high performance liquid chromatography--mass spectrometry (HPLC-MS) were used for determination of fixed combination with beta-blockers in human plasma, rat plasma and human breast milk. LC-MS/MS method was used for simultaneous determination of fixed combinations of metoprolol with simvastatin, hydrochlorothiazide or ramipril, combinations of nebivolol and valsartan, or atenolol and amlodipine. Biological samples were processed by protein precipitation techniques or by liquid-liquid extraction. For the determination of fixed dose combinations of felodipine and metoprolol in rat plasma liquid chromatography--electrospray ionization--mass spectrometry (LC-ESI-MS/MS) was applied, using phenacetin as internal standard. HPLC-MS method was applied for the determination of bisoprolol and hydrochlorothiazide in human plasma. For the determination of atenolol and chlorthalidone from human breast milk and human plasma the HPLC method was used. The analytical methods were validated according to the specialized guidelines, and were applied to biological samples, thing that confirms the permanent concern of researchers in this field.

Low velocity impact analysis of composite laminated plates

NASA Astrophysics Data System (ADS)

Zheng, Daihua

2007-12-01

In the past few decades polymer composites have been utilized more in structures where high strength and light weight are major concerns, e.g., aircraft, high-speed boats and sports supplies. It is well known that they are susceptible to damage resulting from lateral impact by foreign objects, such as dropped tools, hail and debris thrown up from the runway. The impact response of the structures depends not only on the material properties but also on the dynamic behavior of the impacted structure. Although commercial software is capable of analyzing such impact processes, it often requires extensive expertise and rigorous training for design and analysis. Analytical models are useful as they allow parametric studies and provide a foundation for validating the numerical results from large-scale commercial software. Therefore, it is necessary to develop analytical or semi-analytical models to better understand the behaviors of composite structures under impact and their associated failure process. In this study, several analytical models are proposed in order to analyze the impact response of composite laminated plates. Based on Meyer's Power Law, a semi-analytical model is obtained for small mass impact response of infinite composite laminates by the method of asymptotic expansion. The original nonlinear second-order ordinary differential equation is transformed into two linear ordinary differential equations. This is achieved by neglecting high-order terms in the asymptotic expansion. As a result, the semi-analytical solution of the overall impact response can be applied to contact laws with varying coefficients. Then an analytical model accounting for permanent deformation based on an elasto-plastic contact law is proposed to obtain the closed-form solutions of the wave-controlled impact responses of composite laminates. The analytical model is also used to predict the threshold velocity for delamination onset by combining with an existing quasi-static delamination criterion. The predictions are compared with experimental data and explicit finite element LS-DYNA simulation. The comparisons show reasonable agreement. Furthermore, an analytical model is developed to evaluate the combined effects of prestresses and permanent deformation based on the linearized elasto-plastic contact law and the Laplace Transform technique. It is demonstrated that prestresses do not have noticeable effects on the time history of contact force and strains, but they have significant consequences on the plate central displacement. For a impacted composite laminate with the presence of prestresses, the contact force increases with the increasing of the mass of impactor, thickness and interlaminar shear strength of the laminate. The combined analytical and numerical investigations provide validated models for elastic and elasto-plastic impact analysis of composite structures and shed light on the design of impact-resistant composite systems.

Characterization of polymerized liposomes using a combination of dc and cyclical electrical field-flow fractionation.

PubMed

Sant, Himanshu J; Chakravarty, Siddharth; Merugu, Srinivas; Ferguson, Colin G; Gale, Bruce K

2012-10-02

Characterization of polymerized liposomes (PolyPIPosomes) was carried out using a combination of normal dc electrical field-flow fractionation and cyclical electrical field-flow fractionation (CyElFFF) as an analytical technique. The constant nature of the carrier fluid and channel configuration for this technique eliminates many variables associated with multidimensional analysis. CyElFFF uses an oscillating field to induce separation and is performed in the same channel as standard dc electrical field-flow fractionation separation. Theory and experimental methods to characterize nanoparticles in terms of their sizes and electrophoretic mobilities are discussed in this paper. Polystyrene nanoparticles are used for system calibration and characterization of the separation performance, whereas polymerized liposomes are used to demonstrate the applicability of the system to biomedical samples. This paper is also the first to report separation and a higher effective field when CyElFFF is operated at very low applied voltages. The technique is shown to have the ability to quantify both particle size and electrophoretic mobility distributions for colloidal polystyrene nanoparticles and PolyPIPosomes.

The expanding universe of mass analyzer configurations for biological analysis.

PubMed

Calvete, Juan J

2014-01-01

Mass spectrometry (MS) is an analytical technique that measures the mass-to-charge ratio of electrically charged gas-phase particles. All mass spectrometers combine ion formation, mass analysis, and ion detection. Although mass analyzers can be regarded as sophisticated devices that manipulate ions in space and time, the rich diversity of possible ways to combine ion separation, focusing, and detection in dynamic mass spectrometers accounts for the large number of instrument designs. A historical perspective of the progress in mass spectrometry that since 1965 until today have contributed to position this technique as an indispensable tool for biological research has been recently addressed by a privileged witness of this golden age of MS (Gelpí J. Mass Spectrom 43:419-435, 2008; Gelpí J. Mass Spectrom 44:1137-1161, 2008). The aim of this chapter is to highlight the view that the operational principles of mass spectrometry can be understood by a simple mathematical language, and that an understanding of the basic concepts of mass spectrometry is necessary to take the most out of this versatile technique.

Towards nanometric resolution in multilayer depth profiling: a comparative study of RBS, SIMS, XPS and GDOES.

PubMed

Escobar Galindo, Ramón; Gago, Raul; Duday, David; Palacio, Carlos

2010-04-01

An increasing amount of effort is currently being directed towards the development of new functionalized nanostructured materials (i.e., multilayers and nanocomposites). Using an appropriate combination of composition and microstructure, it is possible to optimize and tailor the final properties of the material to its final application. The analytical characterization of these new complex nanostructures requires high-resolution analytical techniques that are able to provide information about surface and depth composition at the nanometric level. In this work, we comparatively review the state of the art in four different depth-profiling characterization techniques: Rutherford backscattering spectroscopy (RBS), secondary ion mass spectrometry (SIMS), X-ray photoelectron spectroscopy (XPS) and glow discharge optical emission spectroscopy (GDOES). In addition, we predict future trends in these techniques regarding improvements in their depth resolutions. Subnanometric resolution can now be achieved in RBS using magnetic spectrometry systems. In SIMS, the use of rotating sample holders and oxygen flooding during analysis as well as the optimization of floating low-energy ion guns to lower the impact energy of the primary ions improves the depth resolution of the technique. Angle-resolved XPS provides a very powerful and nondestructive technique for obtaining depth profiling and chemical information within the range of a few monolayers. Finally, the application of mathematical tools (deconvolution algorithms and a depth-profiling model), pulsed sources and surface plasma cleaning procedures is expected to greatly improve GDOES depth resolution.

Subjective education in analytic training: drawing on values from the art academy.

PubMed

Dougherty, Mary

2008-11-01

Kernberg and others have observed that psychoanalytic education has tended to promote the acquisition of theoretical knowledge and clinical technique within an atmosphere of indoctrination rather than of exploration. As a corrective, he proposed four models that correspond to values in psychoanalytic education: the art academy, the technical trade school, the religious seminary and the university. He commended models of the university and art academy to our collective attention because of their combined effectiveness in providing for the objective and subjective education of candidates: the university model for its capacity to provide a critical sense of a wide range of theories in an atmosphere tolerating debate and difference, and the art academy model for its capacity to facilitate the expression of individual creativity. In this paper, I will explore the art academy model for correspondences between artistic and analytic trainings that can enhance the development of the creative subjectivity of psychoanalytic candidates. I will draw additional correspondences between analytic and artistic learning that can enhance psychoanalytic education.

An accelerated photo-magnetic imaging reconstruction algorithm based on an analytical forward solution and a fast Jacobian assembly method

NASA Astrophysics Data System (ADS)

Nouizi, F.; Erkol, H.; Luk, A.; Marks, M.; Unlu, M. B.; Gulsen, G.

2016-10-01

We previously introduced photo-magnetic imaging (PMI), an imaging technique that illuminates the medium under investigation with near-infrared light and measures the induced temperature increase using magnetic resonance thermometry (MRT). Using a multiphysics solver combining photon migration and heat diffusion, PMI models the spatiotemporal distribution of temperature variation and recovers high resolution optical absorption images using these temperature maps. In this paper, we present a new fast non-iterative reconstruction algorithm for PMI. This new algorithm uses analytic methods during the resolution of the forward problem and the assembly of the sensitivity matrix. We validate our new analytic-based algorithm with the first generation finite element method (FEM) based reconstruction algorithm previously developed by our team. The validation is performed using, first synthetic data and afterwards, real MRT measured temperature maps. Our new method accelerates the reconstruction process 30-fold when compared to a single iteration of the FEM-based algorithm.

Simulation of wind turbine wakes using the actuator line technique

PubMed Central

Sørensen, Jens N.; Mikkelsen, Robert F.; Henningson, Dan S.; Ivanell, Stefan; Sarmast, Sasan; Andersen, Søren J.

2015-01-01

The actuator line technique was introduced as a numerical tool to be employed in combination with large eddy simulations to enable the study of wakes and wake interaction in wind farms. The technique is today largely used for studying basic features of wakes as well as for making performance predictions of wind farms. In this paper, we give a short introduction to the wake problem and the actuator line methodology and present a study in which the technique is employed to determine the near-wake properties of wind turbines. The presented results include a comparison of experimental results of the wake characteristics of the flow around a three-bladed model wind turbine, the development of a simple analytical formula for determining the near-wake length behind a wind turbine and a detailed investigation of wake structures based on proper orthogonal decomposition analysis of numerically generated snapshots of the wake. PMID:25583862

Contemporary sample stacking in analytical electrophoresis.

PubMed

Malá, Zdena; Gebauer, Petr; Boček, Petr

2011-01-01

Sample stacking is of vital importance for analytical CE since it may bring the required sensitivity of analyses. A lot of new relevant papers are published every year and regular surveys seem to be very helpful for experts and practitioners. The contribution presented here is a continuation of a series of regularly published reviews on the topic and covers the last two years. It brings a survey of related literature organized, in accord with the main principle used in the procedure published, in the following mainstream sections: Kohlrausch adjustment of concentrations, pH step, micellar systems and combined techniques. Each part covers literature sorted according to the field of application as, e.g. clinical, pharmaceutical, food, environmental, etc. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tiopronin Gold Nanoparticle Precursor Forms Aurophilic Ring Tetramer

PubMed Central

Simpson, Carrie A.; Farrow, Christopher L.; Tian, Peng; Billinge, Simon J.L.; Huffman, Brian J.; Harkness, Kellen M.; Cliffel, David E.

2010-01-01

In the two step synthesis of thiolate-monolayer protected clusters (MPCs), the first step of the reaction is a mild reduction of gold(III) by thiols that generates gold(I) thiolate complexes as intermediates. Using tiopronin (Tio) as the thiol reductant, the characterization of the intermediate Au4Tio4 complex was accomplished with various analytical and structural techniques. Nuclear magnetic resonance (NMR), elemental analysis, thermogravimetric analysis (TGA), and matrix-assisted laser desorption/ionization-mass spectrometry (MALDI-MS) were all consistent with a cyclic gold(I)-thiol tetramer structure, and final structural analysis was gathered through the use of powder diffraction and pair distribution functions (PDF). Crystallographic data has proved challenging for almost all previous gold(I)-thiolate complexes. Herein, a novel characterization technique when combined with standard analytical assessment to elucidate structure without crystallographic data proved invaluable to the study of these complexes. This in conjunction with other analytical techniques, in particular mass spectrometry, can elucidate a structure when crystallographic data is unavailable. In addition, luminescent properties provided evidence of aurophilicity within the molecule. The concept of aurophilicity has been introduced to describe a select group of gold-thiolate structures, which possess unique characteristics, mainly red photoluminescence and a distinct Au-Au intramolecular distance indicating a weak metal-metal bond as also evidenced by the structural model of the tetramer. Significant features of both the tetrameric and aurophilic properties of the intermediate gold(I) tiopronin complex are retained after borohydride reduction to form the MPC, including gold(I) tiopronin partial rings as capping motifs, or “staples”, and weak red photoluminescence that extends into the Near Infrared region. PMID:21067183

Multi-residue analysis of pesticides, plant hormones, veterinary drugs and mycotoxins using HILIC chromatography - MS/MS in various food matrices.

PubMed

Danezis, G P; Anagnostopoulos, C J; Liapis, K; Koupparis, M A

2016-10-26

One of the recent trends in Analytical Chemistry is the development of economic, quick and easy hyphenated methods to be used in a field that includes analytes of different classes and physicochemical properties. In this work a multi-residue method was developed for the simultaneous determination of 28 xenobiotics (polar and hydrophilic) using hydrophilic interaction liquid chromatography technique (HILIC) coupled with triple quadrupole mass spectrometry (LC-MS/MS) technology. The scope of the method includes plant growth regulators (chlormequat, daminozide, diquat, maleic hydrazide, mepiquat, paraquat), pesticides (cyromazine, the metabolite of the fungicide propineb PTU (propylenethiourea), amitrole), various multiclass antibiotics (tetracyclines, sulfonamides quinolones, kasugamycin and mycotoxins (aflatoxin B1, B2, fumonisin B1 and ochratoxin A). Isolation of the analytes from the matrix was achieved with a fast and effective technique. The validation of the multi-residue method was performed at the levels: 10 μg/kg and 100 μg/kg in the following representative substrates: fruits-vegetables (apples, apricots, lettuce and onions), cereals and pulses (flour and chickpeas), animal products (milk and meat) and cereal based baby foods. The method was validated taking into consideration EU guidelines and showed acceptable linearity (r ≥ 0.99), accuracy with recoveries between 70 and 120% and precision with RSD ≤ 20% for the majority of the analytes studied. For the analytes that presented accuracy and precision values outside the acceptable limits the method still is able to serve as a semi-quantitative method. The matrix effect, the limits of detection and quantification were also estimated and compared with the current EU MRLs (Maximum Residue Levels) and FAO/WHO MLs (Maximum Levels) or CXLs (Codex Maximum Residue Limits). The combined and expanded uncertainty of the method for each analyte per substrate, was also estimated. Copyright © 2016 Elsevier B.V. All rights reserved.

Advancements of two dimensional correlation spectroscopy in protein researches

NASA Astrophysics Data System (ADS)

Tao, Yanchun; Wu, Yuqing; Zhang, Liping

2018-05-01

The developments of two-dimensional correlation spectroscopy (2DCOS) applications in protein studies are discussed, especially for the past two decades. The powerful utilities of 2DCOS combined with various analytical techniques in protein studies are summarized. The emphasis is on the vibration spectroscopic techniques including IR, NIR, Raman and optical activity (ROA), as well as vibration circular dichroism (VCD) and fluorescence spectroscopy. In addition, some new developments, such as hetero-spectral 2DCOS, moving-window correlation, and model based correlation, are also reviewed for their utility in the investigation of the secondary structure, denaturation, folding and unfolding changes of protein. Finally, the new possibility and challenges of 2DCOS in protein research are highlighted as well.

Lithographically fabricated silicon microreactor for in situ characterization of heterogeneous catalysts—Enabling correlative characterization techniques

NASA Astrophysics Data System (ADS)

Baier, S.; Rochet, A.; Hofmann, G.; Kraut, M.; Grunwaldt, J.-D.

2015-06-01

We report on a new modular setup on a silicon-based microreactor designed for correlative spectroscopic, scattering, and analytic on-line gas investigations for in situ studies of heterogeneous catalysts. The silicon microreactor allows a combination of synchrotron radiation based techniques (e.g., X-ray diffraction and X-ray absorption spectroscopy) as well as infrared thermography and Raman spectroscopy. Catalytic performance can be determined simultaneously by on-line product analysis using mass spectrometry. We present the design of the reactor, the experimental setup, and as a first example for an in situ study, the catalytic partial oxidation of methane showing the applicability of this reactor for in situ studies.

Lithographically fabricated silicon microreactor for in situ characterization of heterogeneous catalysts—Enabling correlative characterization techniques.

PubMed

Baier, S; Rochet, A; Hofmann, G; Kraut, M; Grunwaldt, J-D

2015-06-01

We report on a new modular setup on a silicon-based microreactor designed for correlative spectroscopic, scattering, and analytic on-line gas investigations for in situ studies of heterogeneous catalysts. The silicon microreactor allows a combination of synchrotron radiation based techniques (e.g., X-ray diffraction and X-ray absorption spectroscopy) as well as infrared thermography and Raman spectroscopy. Catalytic performance can be determined simultaneously by on-line product analysis using mass spectrometry. We present the design of the reactor, the experimental setup, and as a first example for an in situ study, the catalytic partial oxidation of methane showing the applicability of this reactor for in situ studies.

Carbon Nanotube Material Quality Assessment

NASA Technical Reports Server (NTRS)

Yowell, Leonard; Arepalli, Sivaram; Sosa, Edward; Niolaev, Pavel; Gorelik, Olga

2006-01-01

The nanomaterial activities at NASA Johnson Space Center focus on carbon nanotube production, characterization and their applications for aerospace systems. Single wall carbon nanotubes are produced by arc and laser methods. Characterization of the nanotube material is performed using the NASA JSC protocol developed by combining analytical techniques of SEM, TEM, UV-VIS-NIR absorption, Raman, and TGA. A possible addition of other techniques such as XPS, and ICP to the existing protocol will be discussed. Changes in the quality of the material collected in different regions of the arc and laser production chambers is assessed using the original JSC protocol. The observed variations indicate different growth conditions in different regions of the production chambers.

Determination of minor and trace elements concentration in kidney stones using elemental analysis techniques

NASA Astrophysics Data System (ADS)

Srivastava, Anjali

The determination of accurate material composition of a kidney stone is crucial for understanding the formation of the kidney stone as well as for preventive therapeutic strategies. Radiations probing instrumental activation analysis techniques are excellent tools for identification of involved materials present in the kidney stone. The X-ray fluorescence (XRF) and neutron activation analysis (NAA) experiments were performed and different kidney stones were analyzed. The interactions of X-ray photons and neutrons with matter are complementary in nature, resulting in distinctly different materials detection. This is the first approach to utilize combined X-ray fluorescence and neutron activation analysis for a comprehensive analysis of the kideny stones. Presently, experimental studies in conjunction with analytical techniques were used to determine the exact composition of the kidney stone. The use of open source program Python Multi-Channel Analyzer was utilized to unfold the XRF spectrum. A new type of experimental set-up was developed and utilized for XRF and NAA analysis of the kidney stone. To verify the experimental results with analytical calculation, several sets of kidney stones were analyzed using XRF and NAA technique. The elements which were identified from XRF technique are Br, Cu, Ga, Ge, Mo, Nb, Ni, Rb, Se, Sr, Y, Zr. And, by using Neutron Activation Analysis (NAA) are Au, Br, Ca, Er, Hg, I, K, Na, Pm, Sb, Sc, Sm, Tb, Yb, Zn. This thesis presents a new approach for exact detection of accurate material composition of kidney stone materials using XRF and NAA instrumental activation analysis techniques.

Valid analytical performance specifications for combined analytical bias and imprecision for the use of common reference intervals.

PubMed

Hyltoft Petersen, Per; Lund, Flemming; Fraser, Callum G; Sandberg, Sverre; Sölétormos, György

2018-01-01

Background Many clinical decisions are based on comparison of patient results with reference intervals. Therefore, an estimation of the analytical performance specifications for the quality that would be required to allow sharing common reference intervals is needed. The International Federation of Clinical Chemistry (IFCC) recommended a minimum of 120 reference individuals to establish reference intervals. This number implies a certain level of quality, which could then be used for defining analytical performance specifications as the maximum combination of analytical bias and imprecision required for sharing common reference intervals, the aim of this investigation. Methods Two methods were investigated for defining the maximum combination of analytical bias and imprecision that would give the same quality of common reference intervals as the IFCC recommendation. Method 1 is based on a formula for the combination of analytical bias and imprecision and Method 2 is based on the Microsoft Excel formula NORMINV including the fractional probability of reference individuals outside each limit and the Gaussian variables of mean and standard deviation. The combinations of normalized bias and imprecision are illustrated for both methods. The formulae are identical for Gaussian and log-Gaussian distributions. Results Method 2 gives the correct results with a constant percentage of 4.4% for all combinations of bias and imprecision. Conclusion The Microsoft Excel formula NORMINV is useful for the estimation of analytical performance specifications for both Gaussian and log-Gaussian distributions of reference intervals.

GLONASS orbit/clock combination in VNIIFTRI

NASA Astrophysics Data System (ADS)

Bezmenov, I.; Pasynok, S.

2015-08-01

An algorithm and a program for GLONASS satellites orbit/clock combination based on daily precise orbits submitted by several Analytic Centers were developed. Some theoretical estimates for combine orbit positions RMS were derived. It was shown that under condition that RMS of satellite orbits provided by the Analytic Centers during a long time interval are commensurable the RMS of combine orbit positions is no greater than RMS of other satellite positions estimated by any of the Analytic Centers.

Modal testing of a rotating wind turbine

NASA Astrophysics Data System (ADS)

Carne, T. G.; Nord, A. R.

1982-11-01

A testing technique was developed to measure the modes of vibration of a rotating vertical-axis wind turbine. This technique was applied to the Sandia Two-Meter Turbine, where the changes in individual modal frequencies as a function of the rotational speed were tracked from 0 rpm (parked) to 600 rpm. During rotational testing, the structural response was measured using a combination of strain gages and accelerometers, passing the signals through slip rings. Excitation of the turbine structure was provided by a scheme which suddenly released a pretensioned cable, thus plucking the turbine as it was rotating at a set speed. In addition to calculating the real modes of the parked turbine, the modes of the rotating turbine were also determined at several rotational speeds. The modes of the rotating system proved to be complex due to centrifugal and Coriolis effects. The modal data for the parked turbine were used to update a finite-element model. Also, the measured modal parameters for the rotating turbine were compared to the analytical results, thus verifying the analytical procedures used to incorporate the effects of the rotating coordinate system.

Silica Modified with Polyaniline as a Potential Sorbent for Matrix Solid Phase Dispersion (MSPD) and Dispersive Solid Phase Extraction (d-SPE) of Plant Samples

PubMed Central

Sowa, Ireneusz; Wójciak-Kosior, Magdalena; Strzemski, Maciej; Sawicki, Jan; Staniak, Michał; Dresler, Sławomir; Szwerc, Wojciech; Mołdoch, Jarosław; Latalski, Michał

2018-01-01

Polyaniline (PANI) is one of the best known conductive polymers with multiple applications. Recently, it was also used in separation techniques, mostly as a component of composites for solid-phase microextraction (SPME). In the present paper, sorbent obtained by in situ polymerization of aniline directly on silica gel particles (Si-PANI) was used for dispersive solid phase extraction (d-SPE) and matrix solid–phase extraction (MSPD). The efficiency of both techniques was evaluated with the use of high performance liquid chromatography with diode array detection (HPLC-DAD) quantitative analysis. The quality of the sorbent was verified by Raman spectroscopy and microscopy combined with automated procedure using computer image analysis. For extraction experiments, triterpenes were chosen as model compounds. The optimal conditions were as follows: protonated Si-PANI impregnated with water, 160/1 sorbent/analyte ratio, 3 min of extraction time, 4 min of desorption time and methanolic solution of ammonia for elution of analytes. The proposed procedure was successfully used for pretreatment of plant samples. PMID:29565297

Toward improved understanding and control in analytical atomic spectrometry

NASA Astrophysics Data System (ADS)

Hieftje, Gary M.

1989-01-01

As with most papers which attempt to predict the future, this treatment will begin with a coverage of past events. It will be shown that progress in the field of analytical atomic spectrometry has occurred through a series of steps which involve the addition of new techniques and the occasional displacement of established ones. Because it is difficult or impossible to presage true breakthroughs, this manuscript will focus on how such existing methods can be modified or improved to greatest advantage. The thesis will be that rational improvement can be accomplished most effectively by understanding fundamentally the nature of an instrumental system, a measurement process, and a spectrometric technique. In turn, this enhanced understanding can lead to closer control, from which can spring improved performance. Areas where understanding is now lacking and where control is most greatly needed will be identified and a possible scheme for implementing control procedures will be outlined. As we draw toward the new millennium, these novel procedures seem particularly appealing; new high-speed computers, the availability of expert systems, and our enhanced understanding of atomic spectrometric events combine to make future prospects extremely bright.

Solid-Phase Extraction (SPE): Principles and Applications in Food Samples.

PubMed

Ötles, Semih; Kartal, Canan

2016-01-01

Solid-Phase Extraction (SPE) is a sample preparation method that is practised on numerous application fields due to its many advantages compared to other traditional methods. SPE was invented as an alternative to liquid/liquid extraction and eliminated multiple disadvantages, such as usage of large amount of solvent, extended operation time/procedure steps, potential sources of error, and high cost. Moreover, SPE can be plied to the samples combined with other analytical methods and sample preparation techniques optionally. SPE technique is a useful tool for many purposes through its versatility. Isolation, concentration, purification and clean-up are the main approaches in the practices of this method. Food structures represent a complicated matrix and can be formed into different physical stages, such as solid, viscous or liquid. Therefore, sample preparation step particularly has an important role for the determination of specific compounds in foods. SPE offers many opportunities not only for analysis of a large diversity of food samples but also for optimization and advances. This review aims to provide a comprehensive overview on basic principles of SPE and its applications for many analytes in food matrix.

Preparation of Ion Exchange Films for Solid-Phase Spectrophotometry and Solid-Phase Fluorometry

NASA Technical Reports Server (NTRS)

Hill, Carol M.; Street, Kenneth W.; Tanner, Stephen P.; Philipp, Warren H.

2000-01-01

Atomic spectroscopy has dominated the field of trace inorganic analysis because of its high sensitivity and selectivity. The advantages gained by the atomic spectroscopies come with the disadvantage of expensive and often complicated instrumentation. Solid-phase spectroscopy, in which the analyte is preconcentrated on a solid medium followed by conventional spectrophotometry or fluorometry, requires less expensive instrumentation and has considerable sensitivity and selectivity. The sensitivity gains come from preconcentration and the use of chromophore (or fluorophore) developers and the selectivity is achieved by use of ion exchange conditions that favor the analyte in combination with speciative chromophores. Little work has been done to optimize the ion exchange medium (IEM) associated with these techniques. In this report we present a method for making ion exchange polymer films, which considerably simplify the solid-phase spectroscopic techniques. The polymer consists of formaldehyde-crosslinked polyvinyl alcohol with polyacrylic acid entrapped therein. The films are a carboxylate weak cation exchanger in the calcium form. They are mechanically sturdy and optically transparent in the ultraviolet and visible portion of the spectrum, which makes them suitable for spectrophotometry and fluorometry.

Solitons and ionospheric modification

NASA Technical Reports Server (NTRS)

Sheerin, J. P.; Nicholson, D. R.; Payne, G. L.; Hansen, P. J.; Weatherall, J. C.; Goldman, M. V.

1982-01-01

The possibility of Langmuir soliton formation and collapse during ionospheric modification is investigated. Parameters characterizing former facilities, existing facilities, and planned facilities are considered, using a combination of analytical and numerical techniques. At a spatial location corresponding to the exact classical reflection point of the modifier wave, the Langmuir wave evolution is found to be dominated by modulational instability followed by soliton formation and three-dimensional collapse. The earth's magnetic field is found to affect the shape of the collapsing soliton. These results provide an alternative explanation for some recent observations.

Discrim: a computer program using an interactive approach to dissect a mixture of normal or lognormal distributions

USGS Publications Warehouse

Bridges, N.J.; McCammon, R.B.

1980-01-01

DISCRIM is an interactive computer graphics program that dissects mixtures of normal or lognormal distributions. The program was written in an effort to obtain a more satisfactory solution to the dissection problem than that offered by a graphical or numerical approach alone. It combines graphic and analytic techniques using a Tektronix1 terminal in a time-share computing environment. The main program and subroutines were written in the FORTRAN language. ?? 1980.

Analytical techniques and instrumentation, a compilation

NASA Technical Reports Server (NTRS)

1974-01-01

Procedures for conducting materials tests and structural analyses of aerospace components are presented as a part of the NASA technology utilization program. Some of the subjects discussed are as follows: (1) failures in cryogenic tank insulation, (2) friction characteristics of graphite and graphite-metal combinations, (3) evaluation of polymeric products in thermal-vacuum environment, (4) erosion of metals by multiple impacts with water, (5) mass loading effects on vibrated ring and shell structures, (6) nonlinear damping in structures, and (7) method for estimating reliability of randomly excited structures.

Isolated, well-defined organovanadium(iii) on silica: Single-site catalyst for hydrogenation of alkenes and alkynes

DOE PAGES

Sohn, H.; Camacho-Bunquin, J.; Langeslay, R. R.; ...

2017-05-03

Well-defined, isolated, single-site organovanadium(III) catalyst on SiO 2 [(SiO 2)V(Mes)(THF)] were synthesized via surface organometallic chemistry, and fully characterized using a combination of analytical and spectroscopic techniques (EA, ICP, 1H NMR, TGA-MS, EPR, XPS, DR-UV/Vis, UV-Raman, DRIFTS, XAS). The catalysts exhibit unprecedented reactivity in liquid- and gas-phase alkene/alkyne hydrogenation. Catalyst poisoning experiments revealed that 100% of the V sites are active for hydrogenation.

Scattering of Lamb waves in a composite plate

NASA Technical Reports Server (NTRS)

Bratton, Robert; Datta, Subhendu; Shah, Arvind

1991-01-01

A combined analytical and finite element technique is developed to gain a better understanding of the scattering of elastic waves by defects. This hybrid method is capable of predicting scattered displacements from arbitrary shaped defects as well as inclusions of different material. The continuity of traction and displacements at the boundaries of the two areas provided the necessary equations to find the nodal displacements and expansion coefficients. Results clearly illustrate the influence of increasing crack depth on the scattered signal.

A method for the analysis of nonlinearities in aircraft dynamic response to atmospheric turbulence

NASA Technical Reports Server (NTRS)

Sidwell, K.

1976-01-01

An analytical method is developed which combines the equivalent linearization technique for the analysis of the response of nonlinear dynamic systems with the amplitude modulated random process (Press model) for atmospheric turbulence. The method is initially applied to a bilinear spring system. The analysis of the response shows good agreement with exact results obtained by the Fokker-Planck equation. The method is then applied to an example of control-surface displacement limiting in an aircraft with a pitch-hold autopilot.

Numerical and analytical simulation of the production process of ZrO2 hollow particles

NASA Astrophysics Data System (ADS)

Safaei, Hadi; Emami, Mohsen Davazdah

2017-12-01

In this paper, the production process of hollow particles from the agglomerated particles is addressed analytically and numerically. The important parameters affecting this process, in particular, the initial porosity level of particles and the plasma gun types are investigated. The analytical model adopts a combination of quasi-steady thermal equilibrium and mechanical balance. In the analytical model, the possibility of a solid core existing in agglomerated particles is examined. In this model, a range of particle diameters (50μm ≤ D_{p0} ≤ 160 μ m) and various initial porosities ( 0.2 ≤ p ≤ 0.7) are considered. The numerical model employs the VOF technique for two-phase compressible flows. The production process of hollow particles from the agglomerated particles is simulated, considering an initial diameter of D_{p0} = 60 μm and initial porosity of p = 0.3, p = 0.5, and p = 0.7. Simulation results of the analytical model indicate that the solid core diameter is independent of the initial porosity, whereas the thickness of the particle shell strongly depends on the initial porosity. In both models, a hollow particle may hardly develop at small initial porosity values ( p < 0.3), while the particle disintegrates at high initial porosity values ( p > 0.6.

Investigations of Some Liquid Matrixes for Analyte Quantification by MALDI

NASA Astrophysics Data System (ADS)

Moon, Jeong Hee; Park, Kyung Man; Ahn, Sung Hee; Lee, Seong Hoon; Kim, Myung Soo

2015-06-01

Sample inhomogeneity is one of the obstacles preventing the generation of reproducible mass spectra by MALDI and to their use for the purpose of analyte quantification. As a potential solution to this problem, we investigated MALDI with some liquid matrixes prepared by nonstoichiometric mixing of acids and bases. Out of 27 combinations of acids and bases, liquid matrixes could be produced from seven. When the overall spectral features were considered, two liquid matrixes using α-cyano-4-hydroxycinnamic acid as the acid and 3-aminoquinoline and N,N-diethylaniline as bases were the best choices. In our previous study of MALDI with solid matrixes, we found that three requirements had to be met for the generation of reproducible spectra and for analyte quantification: (1) controlling the temperature by fixing the total ion count, (2) plotting the analyte-to-matrix ion ratio versus the analyte concentration as the calibration curve, and (3) keeping the matrix suppression below a critical value. We found that the same requirements had to be met in MALDI with liquid matrixes as well. In particular, although the liquid matrixes tested here were homogeneous, they failed to display spot-to-spot spectral reproducibility unless the first requirement above was met. We also found that analyte-derived ions could not be produced efficiently by MALDI with the above liquid matrixes unless the analyte was sufficiently basic. In this sense, MALDI processes with solid and liquid matrixes should be regarded as complementary techniques rather than as competing ones.

Investigations of Some Liquid Matrixes for Analyte Quantification by MALDI.

PubMed

Moon, Jeong Hee; Park, Kyung Man; Ahn, Sung Hee; Lee, Seong Hoon; Kim, Myung Soo

2015-10-01

Sample inhomogeneity is one of the obstacles preventing the generation of reproducible mass spectra by MALDI and to their use for the purpose of analyte quantification. As a potential solution to this problem, we investigated MALDI with some liquid matrixes prepared by nonstoichiometric mixing of acids and bases. Out of 27 combinations of acids and bases, liquid matrixes could be produced from seven. When the overall spectral features were considered, two liquid matrixes using α-cyano-4-hydroxycinnamic acid as the acid and 3-aminoquinoline and N,N-diethylaniline as bases were the best choices. In our previous study of MALDI with solid matrixes, we found that three requirements had to be met for the generation of reproducible spectra and for analyte quantification: (1) controlling the temperature by fixing the total ion count, (2) plotting the analyte-to-matrix ion ratio versus the analyte concentration as the calibration curve, and (3) keeping the matrix suppression below a critical value. We found that the same requirements had to be met in MALDI with liquid matrixes as well. In particular, although the liquid matrixes tested here were homogeneous, they failed to display spot-to-spot spectral reproducibility unless the first requirement above was met. We also found that analyte-derived ions could not be produced efficiently by MALDI with the above liquid matrixes unless the analyte was sufficiently basic. In this sense, MALDI processes with solid and liquid matrixes should be regarded as complementary techniques rather than as competing ones.

A note on improved F-expansion method combined with Riccati equation applied to nonlinear evolution equations.

PubMed

Islam, Md Shafiqul; Khan, Kamruzzaman; Akbar, M Ali; Mastroberardino, Antonio

2014-10-01

The purpose of this article is to present an analytical method, namely the improved F-expansion method combined with the Riccati equation, for finding exact solutions of nonlinear evolution equations. The present method is capable of calculating all branches of solutions simultaneously, even if multiple solutions are very close and thus difficult to distinguish with numerical techniques. To verify the computational efficiency, we consider the modified Benjamin-Bona-Mahony equation and the modified Korteweg-de Vries equation. Our results reveal that the method is a very effective and straightforward way of formulating the exact travelling wave solutions of nonlinear wave equations arising in mathematical physics and engineering.

A note on improved F-expansion method combined with Riccati equation applied to nonlinear evolution equations

PubMed Central

Islam, Md. Shafiqul; Khan, Kamruzzaman; Akbar, M. Ali; Mastroberardino, Antonio

2014-01-01

The purpose of this article is to present an analytical method, namely the improved F-expansion method combined with the Riccati equation, for finding exact solutions of nonlinear evolution equations. The present method is capable of calculating all branches of solutions simultaneously, even if multiple solutions are very close and thus difficult to distinguish with numerical techniques. To verify the computational efficiency, we consider the modified Benjamin–Bona–Mahony equation and the modified Korteweg-de Vries equation. Our results reveal that the method is a very effective and straightforward way of formulating the exact travelling wave solutions of nonlinear wave equations arising in mathematical physics and engineering. PMID:26064530

Note: A portable Raman analyzer for microfluidic chips based on a dichroic beam splitter for integration of imaging and signal collection light paths

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

Geng, Yijia; Xu, Shuping; Xu, Weiqing, E-mail: xuwq@jlu.edu.cn

An integrated and portable Raman analyzer featuring an inverted probe fixed on a motor-driving adjustable optical module was designed for the combination of a microfluidic system. It possesses a micro-imaging function. The inverted configuration is advantageous to locate and focus microfluidic channels. Different from commercial micro-imaging Raman spectrometers using manual switchable light path, this analyzer adopts a dichroic beam splitter for both imaging and signal collection light paths, which avoids movable parts and improves the integration and stability of optics. Combined with surface-enhanced Raman scattering technique, this portable Raman micro-analyzer is promising as a powerful tool for microfluidic analytics.

Clinical cancer diagnosis using optical fiber-delivered coherent anti-stokes ramon scattering microscopy

NASA Astrophysics Data System (ADS)

Gao, Liang

This thesis describes the development of a combined label-free imaging and analytical strategy for intraoperative characterization of cancer lesions using the coherent anti-Stokes Raman scattering imaging (CARS) technique. A cell morphology-based analytical platform is developed to characterize CARS images and, hence, provide diagnostic information using disease-related pathology features. This strategy is validated for three different applications, including margin detection for radical prostatectomy, differential diagnosis of lung cancer, as well as detection and differentiation of breast cancer subtypes for in situ analysis of margin status during lumpectomy. As the major contribution of this thesis, the developed analytical strategy shows high accuracy and specificity for all three diseases and thus has introduced the CARS imaging technique into the field of human cancer diagnosis, which holds substantial potential for clinical translations. In addition, I have contributed a project aimed at miniaturizing the CARS imaging device into a microendoscope setup through a fiber-delivery strategy. A four-wave-mixing (FWM) background signal, which is caused by simultaneous delivery of the two CARS-generating excitation laser beams, is initially identified. A polarization-based strategy is then introduced and tested for suppression of this FWM noise. The approach shows effective suppression of the FWM signal, both on microscopic and prototype endoscopic setups, indicating the potential of developing a novel microendoscope with a compatible size for clinical use. These positive results show promise for the development of an all-fiber-based, label-free imaging and analytical platform for minimally invasive detection and diagnosis of cancers during surgery or surgical-biopsy, thus improving surgical outcomes and reducing patients' suffering.

Seeing is believing: on the use of image databases for visually exploring plant organelle dynamics.

PubMed

Mano, Shoji; Miwa, Tomoki; Nishikawa, Shuh-ichi; Mimura, Tetsuro; Nishimura, Mikio

2009-12-01

Organelle dynamics vary dramatically depending on cell type, developmental stage and environmental stimuli, so that various parameters, such as size, number and behavior, are required for the description of the dynamics of each organelle. Imaging techniques are superior to other techniques for describing organelle dynamics because these parameters are visually exhibited. Therefore, as the results can be seen immediately, investigators can more easily grasp organelle dynamics. At present, imaging techniques are emerging as fundamental tools in plant organelle research, and the development of new methodologies to visualize organelles and the improvement of analytical tools and equipment have allowed the large-scale generation of image and movie data. Accordingly, image databases that accumulate information on organelle dynamics are an increasingly indispensable part of modern plant organelle research. In addition, image databases are potentially rich data sources for computational analyses, as image and movie data reposited in the databases contain valuable and significant information, such as size, number, length and velocity. Computational analytical tools support image-based data mining, such as segmentation, quantification and statistical analyses, to extract biologically meaningful information from each database and combine them to construct models. In this review, we outline the image databases that are dedicated to plant organelle research and present their potential as resources for image-based computational analyses.

Bring It to the Pitch: Combining Video and Movement Data to Enhance Team Sport Analysis.

PubMed

Stein, Manuel; Janetzko, Halldor; Lamprecht, Andreas; Breitkreutz, Thorsten; Zimmermann, Philipp; Goldlucke, Bastian; Schreck, Tobias; Andrienko, Gennady; Grossniklaus, Michael; Keim, Daniel A

2018-01-01

Analysts in professional team sport regularly perform analysis to gain strategic and tactical insights into player and team behavior. Goals of team sport analysis regularly include identification of weaknesses of opposing teams, or assessing performance and improvement potential of a coached team. Current analysis workflows are typically based on the analysis of team videos. Also, analysts can rely on techniques from Information Visualization, to depict e.g., player or ball trajectories. However, video analysis is typically a time-consuming process, where the analyst needs to memorize and annotate scenes. In contrast, visualization typically relies on an abstract data model, often using abstract visual mappings, and is not directly linked to the observed movement context anymore. We propose a visual analytics system that tightly integrates team sport video recordings with abstract visualization of underlying trajectory data. We apply appropriate computer vision techniques to extract trajectory data from video input. Furthermore, we apply advanced trajectory and movement analysis techniques to derive relevant team sport analytic measures for region, event and player analysis in the case of soccer analysis. Our system seamlessly integrates video and visualization modalities, enabling analysts to draw on the advantages of both analysis forms. Several expert studies conducted with team sport analysts indicate the effectiveness of our integrated approach.

Bioimaging of metals in brain tissue by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) and metallomics.

PubMed

Becker, J Sabine; Matusch, Andreas; Palm, Christoph; Salber, Dagmar; Morton, Kathryn A; Becker, J Susanne

2010-02-01

Laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) has been developed and established as an emerging technique in the generation of quantitative images of metal distributions in thin tissue sections of brain samples (such as human, rat and mouse brain), with applications in research related to neurodegenerative disorders. A new analytical protocol is described which includes sample preparation by cryo-cutting of thin tissue sections and matrix-matched laboratory standards, mass spectrometric measurements, data acquisition, and quantitative analysis. Specific examples of the bioimaging of metal distributions in normal rodent brains are provided. Differences to the normal were assessed in a Parkinson's disease and a stroke brain model. Furthermore, changes during normal aging were studied. Powerful analytical techniques are also required for the determination and characterization of metal-containing proteins within a large pool of proteins, e.g., after denaturing or non-denaturing electrophoretic separation of proteins in one-dimensional and two-dimensional gels. LA-ICP-MS can be employed to detect metalloproteins in protein bands or spots separated after gel electrophoresis. MALDI-MS can then be used to identify specific metal-containing proteins in these bands or spots. The combination of these techniques is described in the second section.

Metabolomic Strategies Involving Mass Spectrometry Combined with Liquid and Gas Chromatography.

PubMed

Lopes, Aline Soriano; Cruz, Elisa Castañeda Santa; Sussulini, Alessandra; Klassen, Aline

2017-01-01

Amongst all omics sciences, there is no doubt that metabolomics is undergoing the most important growth in the last decade. The advances in analytical techniques and data analysis tools are the main factors that make possible the development and establishment of metabolomics as a significant research field in systems biology. As metabolomic analysis demands high sensitivity for detecting metabolites present in low concentrations in biological samples, high-resolution power for identifying the metabolites and wide dynamic range to detect metabolites with variable concentrations in complex matrices, mass spectrometry is being the most extensively used analytical technique for fulfilling these requirements. Mass spectrometry alone can be used in a metabolomic analysis; however, some issues such as ion suppression may difficultate the quantification/identification of metabolites with lower concentrations or some metabolite classes that do not ionise as well as others. The best choice is coupling separation techniques, such as gas or liquid chromatography, to mass spectrometry, in order to improve the sensitivity and resolution power of the analysis, besides obtaining extra information (retention time) that facilitates the identification of the metabolites, especially when considering untargeted metabolomic strategies. In this chapter, the main aspects of mass spectrometry (MS), liquid chromatography (LC) and gas chromatography (GC) are discussed, and recent clinical applications of LC-MS and GC-MS are also presented.

Prediction of down-gradient impacts of DNAPL source depletion using tracer techniques: Laboratory and modeling validation

NASA Astrophysics Data System (ADS)

Jawitz, J. W.; Basu, N.; Chen, X.

2007-05-01

Interwell application of coupled nonreactive and reactive tracers through aquifer contaminant source zones enables quantitative characterization of aquifer heterogeneity and contaminant architecture. Parameters obtained from tracer tests are presented here in a Lagrangian framework that can be used to predict the dissolution of nonaqueous phase liquid (NAPL) contaminants. Nonreactive tracers are commonly used to provide information about travel time distributions in hydrologic systems. Reactive tracers have more recently been introduced as a tool to quantify the amount of NAPL contaminant present within the tracer swept volume. Our group has extended reactive tracer techniques to also characterize NAPL spatial distribution heterogeneity. By conceptualizing the flow field through an aquifer as a collection of streamtubes, the aquifer hydrodynamic heterogeneities may be characterized by a nonreactive tracer travel time distribution, and NAPL spatial distribution heterogeneity may be similarly described using reactive travel time distributions. The combined statistics of these distributions are used to derive a simple analytical solution for contaminant dissolution. This analytical solution, and the tracer techniques used for its parameterization, were validated both numerically and experimentally. Illustrative applications are presented from numerical simulations using the multiphase flow and transport simulator UTCHEM, and laboratory experiments of surfactant-enhanced NAPL remediation in two-dimensional flow chambers.

Recent developments and future trends in solid phase microextraction techniques towards green analytical chemistry.

PubMed

Spietelun, Agata; Marcinkowski, Łukasz; de la Guardia, Miguel; Namieśnik, Jacek

2013-12-20

Solid phase microextraction find increasing applications in the sample preparation step before chromatographic determination of analytes in samples with a complex composition. These techniques allow for integrating several operations, such as sample collection, extraction, analyte enrichment above the detection limit of a given measuring instrument and the isolation of analytes from sample matrix. In this work the information about novel methodological and instrumental solutions in relation to different variants of solid phase extraction techniques, solid-phase microextraction (SPME), stir bar sorptive extraction (SBSE) and magnetic solid phase extraction (MSPE) is presented, including practical applications of these techniques and a critical discussion about their advantages and disadvantages. The proposed solutions fulfill the requirements resulting from the concept of sustainable development, and specifically from the implementation of green chemistry principles in analytical laboratories. Therefore, particular attention was paid to the description of possible uses of novel, selective stationary phases in extraction techniques, inter alia, polymeric ionic liquids, carbon nanotubes, and silica- and carbon-based sorbents. The methodological solutions, together with properly matched sampling devices for collecting analytes from samples with varying matrix composition, enable us to reduce the number of errors during the sample preparation prior to chromatographic analysis as well as to limit the negative impact of this analytical step on the natural environment and the health of laboratory employees. Copyright © 2013 Elsevier B.V. All rights reserved.

One-calibrant kinetic calibration for on-site water sampling with solid-phase microextraction.

PubMed

Ouyang, Gangfeng; Cui, Shufen; Qin, Zhipei; Pawliszyn, Janusz

2009-07-15

The existing solid-phase microextraction (SPME) kinetic calibration technique, using the desorption of the preloaded standards to calibrate the extraction of the analytes, requires that the physicochemical properties of the standard should be similar to those of the analyte, which limited the application of the technique. In this study, a new method, termed the one-calibrant kinetic calibration technique, which can use the desorption of a single standard to calibrate all extracted analytes, was proposed. The theoretical considerations were validated by passive water sampling in laboratory and rapid water sampling in the field. To mimic the variety of the environment, such as temperature, turbulence, and the concentration of the analytes, the flow-through system for the generation of standard aqueous polycyclic aromatic hydrocarbons (PAHs) solution was modified. The experimental results of the passive samplings in the flow-through system illustrated that the effect of the environmental variables was successfully compensated with the kinetic calibration technique, and all extracted analytes can be calibrated through the desorption of a single calibrant. On-site water sampling with rotated SPME fibers also illustrated the feasibility of the new technique for rapid on-site sampling of hydrophobic organic pollutants in water. This technique will accelerate the application of the kinetic calibration method and also will be useful for other microextraction techniques.

Analytical model for advective-dispersive transport involving flexible boundary inputs, initial distributions and zero-order productions

NASA Astrophysics Data System (ADS)

Chen, Jui-Sheng; Li, Loretta Y.; Lai, Keng-Hsin; Liang, Ching-Ping

2017-11-01

A novel solution method is presented which leads to an analytical model for the advective-dispersive transport in a semi-infinite domain involving a wide spectrum of boundary inputs, initial distributions, and zero-order productions. The novel solution method applies the Laplace transform in combination with the generalized integral transform technique (GITT) to obtain the generalized analytical solution. Based on this generalized analytical expression, we derive a comprehensive set of special-case solutions for some time-dependent boundary distributions and zero-order productions, described by the Dirac delta, constant, Heaviside, exponentially-decaying, or periodically sinusoidal functions as well as some position-dependent initial conditions and zero-order productions specified by the Dirac delta, constant, Heaviside, or exponentially-decaying functions. The developed solutions are tested against an analytical solution from the literature. The excellent agreement between the analytical solutions confirms that the new model can serve as an effective tool for investigating transport behaviors under different scenarios. Several examples of applications, are given to explore transport behaviors which are rarely noted in the literature. The results show that the concentration waves resulting from the periodically sinusoidal input are sensitive to dispersion coefficient. The implication of this new finding is that a tracer test with a periodic input may provide additional information when for identifying the dispersion coefficients. Moreover, the solution strategy presented in this study can be extended to derive analytical models for handling more complicated problems of solute transport in multi-dimensional media subjected to sequential decay chain reactions, for which analytical solutions are not currently available.

Determination of mycotoxins in foods: current state of analytical methods and limitations.

PubMed

Köppen, Robert; Koch, Matthias; Siegel, David; Merkel, Stefan; Maul, Ronald; Nehls, Irene

2010-05-01

Mycotoxins are natural contaminants produced by a range of fungal species. Their common occurrence in food and feed poses a threat to the health of humans and animals. This threat is caused either by the direct contamination of agricultural commodities or by a "carry-over" of mycotoxins and their metabolites into animal tissues, milk, and eggs after feeding of contaminated hay or corn. As a consequence of their diverse chemical structures and varying physical properties, mycotoxins exhibit a wide range of biological effects. Individual mycotoxins can be genotoxic, mutagenic, carcinogenic, teratogenic, and oestrogenic. To protect consumer health and to reduce economic losses, surveillance and control of mycotoxins in food and feed has become a major objective for producers, regulatory authorities and researchers worldwide. However, the variety of chemical structures makes it impossible to use one single technique for mycotoxin analysis. Hence, a vast number of analytical methods has been developed and validated. The heterogeneity of food matrices combined with the demand for a fast, simultaneous and accurate determination of multiple mycotoxins creates enormous challenges for routine analysis. The most crucial issues will be discussed in this review. These are (1) the collection of representative samples, (2) the performance of classical and emerging analytical methods based on chromatographic or immunochemical techniques, (3) the validation of official methods for enforcement, and (4) the limitations and future prospects of the current methods.

Potential of Near-Infrared Chemical Imaging as Process Analytical Technology Tool for Continuous Freeze-Drying.

PubMed

Brouckaert, Davinia; De Meyer, Laurens; Vanbillemont, Brecht; Van Bockstal, Pieter-Jan; Lammens, Joris; Mortier, Séverine; Corver, Jos; Vervaet, Chris; Nopens, Ingmar; De Beer, Thomas

2018-04-03

Near-infrared chemical imaging (NIR-CI) is an emerging tool for process monitoring because it combines the chemical selectivity of vibrational spectroscopy with spatial information. Whereas traditional near-infrared spectroscopy is an attractive technique for water content determination and solid-state investigation of lyophilized products, chemical imaging opens up possibilities for assessing the homogeneity of these critical quality attributes (CQAs) throughout the entire product. In this contribution, we aim to evaluate NIR-CI as a process analytical technology (PAT) tool for at-line inspection of continuously freeze-dried pharmaceutical unit doses based on spin freezing. The chemical images of freeze-dried mannitol samples were resolved via multivariate curve resolution, allowing us to visualize the distribution of mannitol solid forms throughout the entire cake. Second, a mannitol-sucrose formulation was lyophilized with variable drying times for inducing changes in water content. Analyzing the corresponding chemical images via principal component analysis, vial-to-vial variations as well as within-vial inhomogeneity in water content could be detected. Furthermore, a partial least-squares regression model was constructed for quantifying the water content in each pixel of the chemical images. It was hence concluded that NIR-CI is inherently a most promising PAT tool for continuously monitoring freeze-dried samples. Although some practicalities are still to be solved, this analytical technique could be applied in-line for CQA evaluation and for detecting the drying end point.

Analytical pyrolysis mass spectrometry: new vistas opened by temperature-resolved in-source PYMS

NASA Astrophysics Data System (ADS)

Boon, Jaap J.

1992-09-01

Analytical pyrolysis mass spectrometry (PYMS) is introduced and its applications to the analysis of synthetic polymers, biopolymers, biomacromolecular systems and geomacromolecules are critically reviewed. Analytical pyrolysis inside the ionisation chamber of a mass spectrometer, i.e. in-source PYMS, gives a complete inventory of the pyrolysis products evolved from a solid sample. The temperature-resolved nature of the experiment gives a good insight into the temperature dependence of the volatilisation and pyrolytic dissociation processes. Chemical ionisation techniques appear to be especially suitable for the analysis of oligomeric fragments released in early stages of the pyrolysis of polymer systems. Large oligomeric fragments were observed for linear polymers such as cellulose (pentadecamer), polyhydroxyoctanoic acid (tridecamer) and polyhydroxybutyric acid (heneicosamer). New in-source PYMS data are presented on artists' paints, the plant polysaccharides cellulose and xyloglucan, several microbial polyhydroxyalkanoates, wood and enzyme-digested wood, biodegraded roots and a fossil cuticle of Miocene age. On-line and off-line pyrolysis chromatography mass spectrometric approaches are also discussed. New data presented on high temperature gas chromatography--mass spectrometry of deuterio-reduced permethylated pyrolysates of cellulose lead to a better understanding of polysaccharide dissociation mechanisms. Pyrolysis as an on-line sample pretreatment method for organic macromolecules in combination with MS techniques is a very challenging field of mass spectrometry. Pyrolytic dissociation and desorption is not at all a chaotic process but proceeds according to very specific mechanisms.

Vortex-assisted magnetic β-cyclodextrin/attapulgite-linked ionic liquid dispersive liquid-liquid microextraction coupled with high-performance liquid chromatography for the fast determination of four fungicides in water samples.

PubMed

Yang, Miyi; Xi, Xuefei; Wu, Xiaoling; Lu, Runhua; Zhou, Wenfeng; Zhang, Sanbing; Gao, Haixiang

2015-02-13

A novel microextraction technique combining magnetic solid-phase microextraction (MSPME) with ionic liquid dispersive liquid-liquid microextraction (IL-DLLME) to determine four fungicides is presented in this work for the first time. The main factors affecting the extraction efficiency were optimized by the one-factor-at-a-time approach and the impacts of these factors were studied by an orthogonal design. Without tedious clean-up procedure, analytes were extracted from the sample to the adsorbent and organic solvent and then desorbed in acetonitrile prior to chromatographic analysis. Under the optimum conditions, good linearity and high enrichment factors were obtained for all analytes, with correlation coefficients ranging from 0.9998 to 1.0000 and enrichment factors ranging 135 and 159 folds. The recoveries for proposed approach were between 98% and 115%, the limits of detection were between 0.02 and 0.04 μg L(-1) and the RSDs changed from 2.96 to 4.16. The method was successfully applied in the analysis of four fungicides (azoxystrobin, chlorothalonil, cyprodinil and trifloxystrobin) in environmental water samples. The recoveries for the real water samples ranged between 81% and 109%. The procedure proved to be a time-saving, environmentally friendly, and efficient analytical technique. Copyright © 2015 Elsevier B.V. All rights reserved.

Microextraction by packed sorbent: an emerging, selective and high-throughput extraction technique in bioanalysis.

PubMed

Pereira, Jorge; Câmara, José S; Colmsjö, Anders; Abdel-Rehim, Mohamed

2014-06-01

Sample preparation is an important analytical step regarding the isolation and concentration of desired components from complex matrices and greatly influences their reliable and accurate analysis and data quality. It is the most labor-intensive and error-prone process in analytical methodology and, therefore, may influence the analytical performance of the target analytes quantification. Many conventional sample preparation methods are relatively complicated, involving time-consuming procedures and requiring large volumes of organic solvents. Recent trends in sample preparation include miniaturization, automation, high-throughput performance, on-line coupling with analytical instruments and low-cost operation through extremely low volume or no solvent consumption. Micro-extraction techniques, such as micro-extraction by packed sorbent (MEPS), have these advantages over the traditional techniques. This paper gives an overview of MEPS technique, including the role of sample preparation in bioanalysis, the MEPS description namely MEPS formats (on- and off-line), sorbents, experimental and protocols, factors that affect the MEPS performance, and the major advantages and limitations of MEPS compared with other sample preparation techniques. We also summarize MEPS recent applications in bioanalysis. Copyright © 2014 John Wiley & Sons, Ltd.

Rapid and Automated Analytical Methods for Redox Species Based on Potentiometric Flow Injection Analysis Using Potential Buffers

PubMed Central

Ohura, Hiroki; Imato, Toshihiko

2011-01-01

Two analytical methods, which prove the utility of a potentiometric flow injection technique for determining various redox species, based on the use of some redox potential buffers, are reviewed. The first is a potentiometric flow injection method in which a redox couple such as Fe(III)-Fe(II), Fe(CN)6 3−-Fe(CN)(CN)6 4−, and bromide-bromine and a redox electrode or a combined platinum-bromide ion selective electrode are used. The analytical principle and advantages of the method are discussed, and several examples of its application are reported. Another example is a highly sensitive potentiometric flow injection method, in which a large transient potential change due to bromine or chlorine as an intermediate, generated during the reaction of the oxidative species with an Fe(III)-Fe(II) potential buffer containing bromide or chloride, is utilized. The analytical principle and details of the proposed method are described, and examples of several applications are described. The determination of trace amounts of hydrazine, based on the detection of a transient change in potential caused by the reaction with a Ce(IV)-Ce(III) potential buffer, is also described. PMID:21584280

Non-invasive dendrochronology of late-medieval objects in Oslo: refinement of a technique and discoveries

NASA Astrophysics Data System (ADS)

Daly, Aoife; Streeton, Noëlle L. W.

2017-06-01

A technique for non-invasive dendrochronological analysis of oak was developed for archaeological material, using an industrial CT scanner. Since 2013, this experience has been extended within the scope of the research project `After the Black Death: Painting and Polychrome Sculpture in Norway'. The source material for the project is a collection of late-medieval winged altarpieces, shrines, polychrome sculpture, and fragments from Norwegian churches, which are owned by the Museum of Cultural History, University of Oslo. The majority cannot be sampled, and many are too large to fit into the CT scanner. For these reasons, a combined approach was adopted, utilizing CT scanning where possible, but preceded by an `exposed-wood' imaging technique. Both non-invasive techniques have yielded reliable results, and CT scanning has confirmed the reliability of the imaging technique alone. This paper presents the analytical methods, along with results from two of the 13 objects under investigation. Results for reliable dates and provenances provide new foundations for historical interpretations.

Standardization of chemical analytical techniques for pyrolysis bio-oil: history, challenges, and current status of methods

DOE PAGES

Ferrell, Jack R.; Olarte, Mariefel V.; Christensen, Earl D.; ...

2016-07-05

Here, we discuss the standardization of analytical techniques for pyrolysis bio-oils, including the current status of methods, and our opinions on future directions. First, the history of past standardization efforts is summarized, and both successful and unsuccessful validation of analytical techniques highlighted. The majority of analytical standardization studies to-date has tested only physical characterization techniques. In this paper, we present results from an international round robin on the validation of chemical characterization techniques for bio-oils. Techniques tested included acid number, carbonyl titrations using two different methods (one at room temperature and one at 80 °C), 31P NMR for determination ofmore » hydroxyl groups, and a quantitative gas chromatography–mass spectrometry (GC-MS) method. Both carbonyl titration and acid number methods have yielded acceptable inter-laboratory variabilities. 31P NMR produced acceptable results for aliphatic and phenolic hydroxyl groups, but not for carboxylic hydroxyl groups. As shown in previous round robins, GC-MS results were more variable. Reliable chemical characterization of bio-oils will enable upgrading research and allow for detailed comparisons of bio-oils produced at different facilities. Reliable analytics are also needed to enable an emerging bioenergy industry, as processing facilities often have different analytical needs and capabilities than research facilities. We feel that correlations in reliable characterizations of bio-oils will help strike a balance between research and industry, and will ultimately help to -determine metrics for bio-oil quality. Lastly, the standardization of additional analytical methods is needed, particularly for upgraded bio-oils.« less

Standardization of chemical analytical techniques for pyrolysis bio-oil: history, challenges, and current status of methods

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

Ferrell, Jack R.; Olarte, Mariefel V.; Christensen, Earl D.

Here, we discuss the standardization of analytical techniques for pyrolysis bio-oils, including the current status of methods, and our opinions on future directions. First, the history of past standardization efforts is summarized, and both successful and unsuccessful validation of analytical techniques highlighted. The majority of analytical standardization studies to-date has tested only physical characterization techniques. In this paper, we present results from an international round robin on the validation of chemical characterization techniques for bio-oils. Techniques tested included acid number, carbonyl titrations using two different methods (one at room temperature and one at 80 °C), 31P NMR for determination ofmore » hydroxyl groups, and a quantitative gas chromatography–mass spectrometry (GC-MS) method. Both carbonyl titration and acid number methods have yielded acceptable inter-laboratory variabilities. 31P NMR produced acceptable results for aliphatic and phenolic hydroxyl groups, but not for carboxylic hydroxyl groups. As shown in previous round robins, GC-MS results were more variable. Reliable chemical characterization of bio-oils will enable upgrading research and allow for detailed comparisons of bio-oils produced at different facilities. Reliable analytics are also needed to enable an emerging bioenergy industry, as processing facilities often have different analytical needs and capabilities than research facilities. We feel that correlations in reliable characterizations of bio-oils will help strike a balance between research and industry, and will ultimately help to -determine metrics for bio-oil quality. Lastly, the standardization of additional analytical methods is needed, particularly for upgraded bio-oils.« less

Experimental and analytical determination of stability parameters for a balloon tethered in a wind

NASA Technical Reports Server (NTRS)

Redd, L. T.; Bennett, R. M.; Bland, S. R.

1973-01-01

Experimental and analytical techniques for determining stability parameters for a balloon tethered in a steady wind are described. These techniques are applied to a particular 7.64-meter-long balloon, and the results are presented. The stability parameters of interest appear as coefficients in linearized stability equations and are derived from the various forces and moments acting on the balloon. In several cases the results from the experimental and analytical techniques are compared and suggestions are given as to which techniques are the most practical means of determining values for the stability parameters.

Techniques to measure sorption and migration between small molecules and packaging. A critical review.

PubMed

Kadam, Ashish A; Karbowiak, Thomas; Voilley, Andrée; Debeaufort, Frédéric

2015-05-01

The mass transfer parameters diffusion and sorption in food and packaging or between them are the key parameters for assessing a food product's shelf-life in reference to consumer safety. This has become of paramount importance owing to the legislations set by the regulated markets. The technical capabilities that can be exploited for analyzing product-package interactions have been growing rapidly. Different techniques categorized according to the state of the diffusant (gas or liquid) in contact with the packaging material are emphasized in this review. Depending on the diffusant and on the analytical question under review, the different ways to study sorption and/or migration are presented and compared. Some examples have been suggested to reach the best possible choice, consisting of a single technique or a combination of different approaches. © 2014 Society of Chemical Industry.

Analytical Chemistry: A Literary Approach.

ERIC Educational Resources Information Center

Lucy, Charles A.

2000-01-01

Provides an anthology of references to descriptions of analytical chemistry techniques from history, popular fiction, and film which can be used to capture student interest and frame discussions of chemical techniques. (WRM)

Portal scatter to primary dose ratio of 4 to 18 MV photon spectra incident on heterogeneous phantoms

NASA Astrophysics Data System (ADS)

Ozard, Siobhan R.

Electronic portal imagers designed and used to verify the positioning of a cancer patient undergoing radiation treatment can also be employed to measure the in vivo dose received by the patient. This thesis investigates the ratio of the dose from patient-scattered particles to the dose from primary (unscattered) photons at the imaging plane, called the scatter to primary dose ratio (SPR). The composition of the SPR according to the origin of scatter is analyzed more thoroughly than in previous studies. A new analytical method for calculating the SPR is developed and experimentally verified for heterogeneous phantoms. A novel technique that applies the analytical SPR method for in vivo dosimetry with a portal imager is evaluated. Monte Carlo simulation was used to determine the imager dose from patient-generated electrons and photons that scatter one or more times within the object. The database of SPRs reported from this investigation is new since the contribution from patient-generated electrons was neglected by previous Monte Carlo studies. The SPR from patient-generated electrons was found here to be as large as 0.03. The analytical SPR method relies on the established result that the scatter dose is uniform for an air gap between the patient and the imager that is greater than 50 cm. This method also applies the hypothesis that first-order Compton scatter only, is sufficient for scatter estimation. A comparison of analytical and measured SPRs for neck, thorax, and pelvis phantoms showed that the maximum difference was within +/-0.03, and the mean difference was less than +/-0.01 for most cases. This accuracy was comparable to similar analytical approaches that are limited to homogeneous phantoms. The analytical SPR method could replace lookup tables of measured scatter doses that can require significant time to measure. In vivo doses were calculated by combining our analytical SPR method and the convolution/superposition algorithm. Our calculated in vivo doses agreed within +/-3% with the doses measured in the phantom. The present in vivo method was faster compared to other techniques that use convolution/superposition. Our method is a feasible and satisfactory approach that contributes to on-line patient dose monitoring.

Resin transfer molding of textile preforms for aircraft structural applications

NASA Technical Reports Server (NTRS)

Hasko, Gregory H.; Dexter, H. Benson; Weideman, Mark H.

1992-01-01

The NASA LaRC is conducting and supporting research to develop cost-effective fabrication methods that are applicable to primary composite aircraft structures. One of the most promising fabrication methods that has evolved is resin transfer molding (RTM) of dry textile material forms. RTM has been used for many years for secondary structures, but has received increased emphasis because it is an excellent method for applying resin to damage-tolerant textile preforms at low cost. Textile preforms based on processes such as weaving, braiding, knitting, stitching, and combinations of these have been shown to offer significant improvements in damage tolerance compared to laminated tape composites. The use of low-cost resins combined with textile preforms could provide a major breakthrough in achieving cost-effective composite aircraft structures. RTM uses resin in its lowest cost form, and storage and spoilage costs are minimal. Near net shape textile preforms are expected to be cost-effective because automated machines can be used to produce the preforms, post-cure operations such as machining and fastening are minimized, and material scrap rate may be reduced in comparison with traditional prepreg molding. The purpose of this paper is to discuss experimental and analytical techniques that are under development at NASA Langley to aid the engineer in developing RTM processes for airframe structural elements. Included are experimental techniques to characterize preform and resin behavior and analytical methods that were developed to predict resin flow and cure kinetics.

Combining machine learning and matching techniques to improve causal inference in program evaluation.

PubMed

Linden, Ariel; Yarnold, Paul R

2016-12-01

Program evaluations often utilize various matching approaches to emulate the randomization process for group assignment in experimental studies. Typically, the matching strategy is implemented, and then covariate balance is assessed before estimating treatment effects. This paper introduces a novel analytic framework utilizing a machine learning algorithm called optimal discriminant analysis (ODA) for assessing covariate balance and estimating treatment effects, once the matching strategy has been implemented. This framework holds several key advantages over the conventional approach: application to any variable metric and number of groups; insensitivity to skewed data or outliers; and use of accuracy measures applicable to all prognostic analyses. Moreover, ODA accepts analytic weights, thereby extending the methodology to any study design where weights are used for covariate adjustment or more precise (differential) outcome measurement. One-to-one matching on the propensity score was used as the matching strategy. Covariate balance was assessed using standardized difference in means (conventional approach) and measures of classification accuracy (ODA). Treatment effects were estimated using ordinary least squares regression and ODA. Using empirical data, ODA produced results highly consistent with those obtained via the conventional methodology for assessing covariate balance and estimating treatment effects. When ODA is combined with matching techniques within a treatment effects framework, the results are consistent with conventional approaches. However, given that it provides additional dimensions and robustness to the analysis versus what can currently be achieved using conventional approaches, ODA offers an appealing alternative. © 2016 John Wiley & Sons, Ltd.

Metrological approaches to organic chemical purity: primary reference materials for vitamin D metabolites.

PubMed

Nelson, Michael A; Bedner, Mary; Lang, Brian E; Toman, Blaza; Lippa, Katrice A

2015-11-01

Given the critical role of pure, organic compound primary reference standards used to characterize and certify chemical Certified Reference Materials (CRMs), it is essential that associated mass purity assessments be fit-for-purpose, represented by an appropriate uncertainty interval, and metrologically sound. The mass fraction purities (% g/g) of 25-hydroxyvitamin D (25(OH)D) reference standards used to produce and certify values for clinical vitamin D metabolite CRMs were investigated by multiple orthogonal quantitative measurement techniques. Quantitative (1)H-nuclear magnetic resonance spectroscopy (qNMR) was performed to establish traceability of these materials to the International System of Units (SI) and to directly assess the principal analyte species. The 25(OH)D standards contained volatile and water impurities, as well as structurally-related impurities that are difficult to observe by chromatographic methods or to distinguish from the principal 25(OH)D species by one-dimensional NMR. These impurities have the potential to introduce significant biases to purity investigations in which a limited number of measurands are quantified. Combining complementary information from multiple analytical methods, using both direct and indirect measurement techniques, enabled mitigation of these biases. Purities of 25(OH)D reference standards and associated uncertainties were determined using frequentist and Bayesian statistical models to combine data acquired via qNMR, liquid chromatography with UV absorbance and atmospheric pressure-chemical ionization mass spectrometric detection (LC-UV, LC-ACPI-MS), thermogravimetric analysis (TGA), and Karl Fischer (KF) titration.

Combined slope ratio analysis and linear-subtraction: An extension of the Pearce ratio method

NASA Astrophysics Data System (ADS)

De Waal, Sybrand A.

1996-07-01

A new technique, called combined slope ratio analysis, has been developed by extending the Pearce element ratio or conserved-denominator method (Pearce, 1968) to its logical conclusions. If two stoichiometric substances are mixed and certain chemical components are uniquely contained in either one of the two mixing substances, then by treating these unique components as conserved, the composition of the substance not containing the relevant component can be accurately calculated within the limits allowed by analytical and geological error. The calculated composition can then be subjected to rigorous statistical testing using the linear-subtraction method recently advanced by Woronow (1994). Application of combined slope ratio analysis to the rocks of the Uwekahuna Laccolith, Hawaii, USA, and the lavas of the 1959-summit eruption of Kilauea Volcano, Hawaii, USA, yields results that are consistent with field observations.

Computer-composite mapping for geologists

USGS Publications Warehouse

van Driel, J.N.

1980-01-01

A computer program for overlaying maps has been tested and evaluated as a means for producing geologic derivative maps. Four maps of the Sugar House Quadrangle, Utah, were combined, using the Multi-Scale Data Analysis and Mapping Program, in a single composite map that shows the relative stability of the land surface during earthquakes. Computer-composite mapping can provide geologists with a powerful analytical tool and a flexible graphic display technique. Digitized map units can be shown singly, grouped with different units from the same map, or combined with units from other source maps to produce composite maps. The mapping program permits the user to assign various values to the map units and to specify symbology for the final map. Because of its flexible storage, easy manipulation, and capabilities of graphic output, the composite-mapping technique can readily be applied to mapping projects in sedimentary and crystalline terranes, as well as to maps showing mineral resource potential. ?? 1980 Springer-Verlag New York Inc.

Some Interesting Applications of Probabilistic Techiques in Structural Dynamic Analysis of Rocket Engines

NASA Technical Reports Server (NTRS)

Brown, Andrew M.

2014-01-01

Numerical and Analytical methods developed to determine damage accumulation in specific engine components when speed variation included. Dither Life Ratio shown to be well over factor of 2 for specific example. Steady-State assumption shown to be accurate for most turbopump cases, allowing rapid calculation of DLR. If hot-fire speed data unknown, Monte Carlo method developed that uses speed statistics for similar engines. Application of techniques allow analyst to reduce both uncertainty and excess conservatism. High values of DLR could allow previously unacceptable part to pass HCF criteria without redesign. Given benefit and ease of implementation, recommend that any finite life turbomachine component analysis adopt these techniques. Probability Values calculated, compared, and evaluated for several industry-proposed methods for combining random and harmonic loads. Two new excel macros written to calculate combined load for any specific probability level. Closed form Curve fits generated for widely used 3(sigma) and 2(sigma) probability levels. For design of lightweight aerospace components, obtaining accurate, reproducible, statistically meaningful answer critical.

Geographic information systems, remote sensing, and spatial analysis activities in Texas, 2002-07

USGS Publications Warehouse

Pearson, D.K.; Gary, R.H.; Wilson, Z.D.

2007-01-01

Geographic information system (GIS) technology has become an important tool for scientific investigation, resource management, and environmental planning. A GIS is a computer-aided system capable of collecting, storing, analyzing, and displaying spatially referenced digital data. GIS technology is particularly useful when analyzing a wide variety of spatial data such as with remote sensing and spatial analysis. Remote sensing involves collecting remotely sensed data, such as satellite imagery, aerial photography, or radar images, and analyzing the data to gather information or investigate trends about the environment or the Earth's surface. Spatial analysis combines remotely sensed, thematic, statistical, quantitative, and geographical data through overlay, modeling, and other analytical techniques to investigate specific research questions. It is the combination of data formats and analysis techniques that has made GIS an essential tool in scientific investigations. This document presents information about the technical capabilities and project activities of the U.S. Geological Survey (USGS) Texas Water Science Center (TWSC) GIS Workgroup from 2002 through 2007.

Teaching Analytical Chemistry to Pharmacy Students: A Combined, Iterative Approach

ERIC Educational Resources Information Center

Masania, Jinit; Grootveld, Martin; Wilson, Philippe B.

2018-01-01

Analytical chemistry has often been a difficult subject to teach in a classroom or lecture-based context. Numerous strategies for overcoming the inherently practical-based difficulties have been suggested, each with differing pedagogical theories. Here, we present a combined approach to tackling the problem of teaching analytical chemistry, with…

The application of emulation techniques in the analysis of highly reliable, guidance and control computer systems

NASA Technical Reports Server (NTRS)

Migneault, Gerard E.

1987-01-01

Emulation techniques can be a solution to a difficulty that arises in the analysis of the reliability of guidance and control computer systems for future commercial aircraft. Described here is the difficulty, the lack of credibility of reliability estimates obtained by analytical modeling techniques. The difficulty is an unavoidable consequence of the following: (1) a reliability requirement so demanding as to make system evaluation by use testing infeasible; (2) a complex system design technique, fault tolerance; (3) system reliability dominated by errors due to flaws in the system definition; and (4) elaborate analytical modeling techniques whose precision outputs are quite sensitive to errors of approximation in their input data. Use of emulation techniques for pseudo-testing systems to evaluate bounds on the parameter values needed for the analytical techniques is then discussed. Finally several examples of the application of emulation techniques are described.

Rapid Harmonic Analysis of Piezoelectric MEMS Resonators.

PubMed

Puder, Jonathan M; Pulskamp, Jeffrey S; Rudy, Ryan Q; Cassella, Cristian; Rinaldi, Matteo; Chen, Guofeng; Bhave, Sunil A; Polcawich, Ronald G

2018-06-01

This paper reports on a novel simulation method combining the speed of analytical evaluation with the accuracy of finite-element analysis (FEA). This method is known as the rapid analytical-FEA technique (RAFT). The ability of the RAFT to accurately predict frequency response orders of magnitude faster than conventional simulation methods while providing deeper insights into device design not possible with other types of analysis is detailed. Simulation results from the RAFT across wide bandwidths are compared to measured results of resonators fabricated with various materials, frequencies, and topologies with good agreement. These include resonators targeting beam extension, disk flexure, and Lamé beam modes. An example scaling analysis is presented and other applications enabled are discussed as well. The supplemental material includes example code for implementation in ANSYS, although any commonly employed FEA package may be used.

Nonclassical thermal-state superpositions: Analytical evolution law and decoherence behavior

NASA Astrophysics Data System (ADS)

Meng, Xiang-guo; Goan, Hsi-Sheng; Wang, Ji-suo; Zhang, Ran

2018-03-01

Employing the integration technique within normal products of bosonic operators, we present normal product representations of thermal-state superpositions and investigate their nonclassical features, such as quadrature squeezing, sub-Poissonian distribution, and partial negativity of the Wigner function. We also analytically and numerically investigate their evolution law and decoherence characteristics in an amplitude-decay model via the variations of the probability distributions and the negative volumes of Wigner functions in phase space. The results indicate that the evolution formulas of two thermal component states for amplitude decay can be viewed as the same integral form as a displaced thermal state ρ(V , d) , but governed by the combined action of photon loss and thermal noise. In addition, the larger values of the displacement d and noise V lead to faster decoherence for thermal-state superpositions.

Precise analytic approximations for the Bessel function J1 (x)

NASA Astrophysics Data System (ADS)

Maass, Fernando; Martin, Pablo

2018-03-01

Precise and straightforward analytic approximations for the Bessel function J1 (x) have been found. Power series and asymptotic expansions have been used to determine the parameters of the approximation, which is as a bridge between both expansions, and it is a combination of rational and trigonometric functions multiplied with fractional powers of x. Here, several improvements with respect to the so called Multipoint Quasirational Approximation technique have been performed. Two procedures have been used to determine the parameters of the approximations. The maximum absolute errors are in both cases smaller than 0.01. The zeros of the approximation are also very precise with less than 0.04 per cent for the first one. A second approximation has been also determined using two more parameters, and in this way the accuracy has been increased to less than 0.001.

Analytical Applications of Monte Carlo Techniques.

ERIC Educational Resources Information Center

Guell, Oscar A.; Holcombe, James A.

1990-01-01

Described are analytical applications of the theory of random processes, in particular solutions obtained by using statistical procedures known as Monte Carlo techniques. Supercomputer simulations, sampling, integration, ensemble, annealing, and explicit simulation are discussed. (CW)

An integrated approach using orthogonal analytical techniques to characterize heparan sulfate structure.

PubMed

Beccati, Daniela; Lech, Miroslaw; Ozug, Jennifer; Gunay, Nur Sibel; Wang, Jing; Sun, Elaine Y; Pradines, Joël R; Farutin, Victor; Shriver, Zachary; Kaundinya, Ganesh V; Capila, Ishan

2017-02-01

Heparan sulfate (HS), a glycosaminoglycan present on the surface of cells, has been postulated to have important roles in driving both normal and pathological physiologies. The chemical structure and sulfation pattern (domain structure) of HS is believed to determine its biological function, to vary across tissue types, and to be modified in the context of disease. Characterization of HS requires isolation and purification of cell surface HS as a complex mixture. This process may introduce additional chemical modification of the native residues. In this study, we describe an approach towards thorough characterization of bovine kidney heparan sulfate (BKHS) that utilizes a variety of orthogonal analytical techniques (e.g. NMR, IP-RPHPLC, LC-MS). These techniques are applied to characterize this mixture at various levels including composition, fragment level, and overall chain properties. The combination of these techniques in many instances provides orthogonal views into the fine structure of HS, and in other instances provides overlapping / confirmatory information from different perspectives. Specifically, this approach enables quantitative determination of natural and modified saccharide residues in the HS chains, and identifies unusual structures. Analysis of partially digested HS chains allows for a better understanding of the domain structures within this mixture, and yields specific insights into the non-reducing end and reducing end structures of the chains. This approach outlines a useful framework that can be applied to elucidate HS structure and thereby provides means to advance understanding of its biological role and potential involvement in disease progression. In addition, the techniques described here can be applied to characterization of heparin from different sources.

Thermoelectrically cooled water trap

DOEpatents

Micheels, Ronald H [Concord, MA

2006-02-21

A water trap system based on a thermoelectric cooling device is employed to remove a major fraction of the water from air samples, prior to analysis of these samples for chemical composition, by a variety of analytical techniques where water vapor interferes with the measurement process. These analytical techniques include infrared spectroscopy, mass spectrometry, ion mobility spectrometry and gas chromatography. The thermoelectric system for trapping water present in air samples can substantially improve detection sensitivity in these analytical techniques when it is necessary to measure trace analytes with concentrations in the ppm (parts per million) or ppb (parts per billion) partial pressure range. The thermoelectric trap design is compact and amenable to use in a portable gas monitoring instrumentation.

Pulse-compression ghost imaging lidar via coherent detection.

PubMed

Deng, Chenjin; Gong, Wenlin; Han, Shensheng

2016-11-14

Ghost imaging (GI) lidar, as a novel remote sensing technique, has been receiving increasing interest in recent years. By combining pulse-compression technique and coherent detection with GI, we propose a new lidar system called pulse-compression GI lidar. Our analytical results, which are backed up by numerical simulations, demonstrate that pulse-compression GI lidar can obtain the target's spatial intensity distribution, range and moving velocity. Compared with conventional pulsed GI lidar system, pulse-compression GI lidar, without decreasing the range resolution, is easy to obtain high single pulse energy with the use of a long pulse, and the mechanism of coherent detection can eliminate the influence of the stray light, which is helpful to improve the detection sensitivity and detection range.

Detailed gravity anomalies from GEOS-3 satellite altimetry data

NASA Technical Reports Server (NTRS)

Gopalapillai, G. S.; Mourad, A. G.

1978-01-01

A technique for deriving mean gravity anomalies from dense altimetry data was developed. A combination of both deterministic and statistical techniques was used. The basic mathematical model was based on the Stokes' equation which describes the analytical relationship between mean gravity anomalies and geoid undulations at a point; this undulation is a linear function of the altimetry data at that point. The overdetermined problem resulting from the excessive altimetry data available was solved using Least-Squares principles. These principles enable the simultaneous estimation of the associated standard deviations reflecting the internal consistency based on the accuracy estimates provided for the altimetry data as well as for the terrestrial anomaly data. Several test computations were made of the anomalies and their accuracy estimates using GOES-3 data.

Tip-Enhanced Raman Scattering Microscopy: A Step toward Nanoscale Control of Intrinsic Molecular Properties

NASA Astrophysics Data System (ADS)

Yano, Taka-aki; Hara, Masahiko

2018-06-01

Tip-enhanced Raman scattering microscopy, a family of scanning probe microscopy techniques, has been recognized as a powerful surface analytical technique with both single-molecule sensitivity and angstrom-scale spatial resolution. This review covers the current status of tip-enhanced Raman scattering microscopy in surface and material nanosciences, including a brief history, the basic principles, and applications for the nanoscale characterization of a variety of nanomaterials. The focus is on the recent trend of combining tip-enhanced Raman scattering microscopy with various external stimuli such as pressure, voltage, light, and temperature, which enables the local control of the molecular properties and functions and also enables chemical reactions to be induced on a nanometer scale.

Lithographically fabricated silicon microreactor for in situ characterization of heterogeneous catalysts—Enabling correlative characterization techniques

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

Baier, S.; Rochet, A.; Hofmann, G.

2015-06-15

We report on a new modular setup on a silicon-based microreactor designed for correlative spectroscopic, scattering, and analytic on-line gas investigations for in situ studies of heterogeneous catalysts. The silicon microreactor allows a combination of synchrotron radiation based techniques (e.g., X-ray diffraction and X-ray absorption spectroscopy) as well as infrared thermography and Raman spectroscopy. Catalytic performance can be determined simultaneously by on-line product analysis using mass spectrometry. We present the design of the reactor, the experimental setup, and as a first example for an in situ study, the catalytic partial oxidation of methane showing the applicability of this reactor formore » in situ studies.« less

Government/Industry Workshop on Payload Loads Technology

NASA Technical Reports Server (NTRS)

1978-01-01

A fully operational space shuttle is discussed which will offer science the opportunity to explore near earth orbit and finally interplanetary space on nearly a limitless basis. This multiplicity of payload/experiment combinations and frequency of launches places many burdens on dynamicists to predict launch and landing environments accurately and efficiently. Two major problems are apparent in the attempt to design for the diverse environments: (1) balancing the design criteria (loads, etc.) between launch and orbit operations, and (2) developing analytical techniques that are reliable, accurate, efficient, and low cost to meet the challenge of multiple launches and payloads. This paper deals with the key issues inherent in these problems, the key trades required, the basic approaches needed, and a summary of the state-of-the-art techniques.

The phonetics of talk in interaction--introduction to the special issue.

PubMed

Ogden, Richard

2012-03-01

This overview paper provides an introduction to work on naturally-occurring speech data, combining techniques of conversation analysis with techniques and methods from phonetics. The paper describes the development of the field, highlighting current challenges and progress in interdisciplinary work. It considers the role of quantification and its relationship to a qualitative methodology. It presents the conversation analytic notion of sequence as a version of context, and argues that sequences of talk constrain relevant phonetic design, and so provide one account for variability in naturally occurring speech. The paper also describes the manipulation of speech and language on many levels simultaneously. All of these themes occur and are explored in more detail in the papers contained in this special issue.

Accuracy of selected techniques for estimating ice-affected streamflow

USGS Publications Warehouse

Walker, John F.

1991-01-01

This paper compares the accuracy of selected techniques for estimating streamflow during ice-affected periods. The techniques are classified into two categories - subjective and analytical - depending on the degree of judgment required. Discharge measurements have been made at three streamflow-gauging sites in Iowa during the 1987-88 winter and used to established a baseline streamflow record for each site. Using data based on a simulated six-week field-tip schedule, selected techniques are used to estimate discharge during the ice-affected periods. For the subjective techniques, three hydrographers have independently compiled each record. Three measures of performance are used to compare the estimated streamflow records with the baseline streamflow records: the average discharge for the ice-affected period, and the mean and standard deviation of the daily errors. Based on average ranks for three performance measures and the three sites, the analytical and subjective techniques are essentially comparable. For two of the three sites, Kruskal-Wallis one-way analysis of variance detects significant differences among the three hydrographers for the subjective methods, indicating that the subjective techniques are less consistent than the analytical techniques. The results suggest analytical techniques may be viable tools for estimating discharge during periods of ice effect, and should be developed further and evaluated for sites across the United States.

Changes in sample collection and analytical techniques and effects on retrospective comparability of low-level concentrations of trace elements in ground water

USGS Publications Warehouse

Ivahnenko, T.; Szabo, Z.; Gibs, J.

2001-01-01

Ground-water sampling techniques were modified to reduce random low-level contamination during collection of filtered water samples for determination of trace-element concentrations. The modified sampling techniques were first used in New Jersey by the US Geological Survey in 1994 along with inductively coupled plasma-mass spectrometry (ICP-MS) analysis to determine the concentrations of 18 trace elements at the one microgram-per-liter (μg/L) level in the oxic water of the unconfined sand and gravel Kirkwood-Cohansey aquifer system. The revised technique tested included a combination of the following: collection of samples (1) with flow rates of about 2L per minute, (2) through acid-washed single-use disposable tubing and (3) a single-use disposable 0.45-μm pore size capsule filter, (4) contained within portable glove boxes, (5) in a dedicated clean sampling van, (6) only after turbidity stabilized at values less than 2 nephelometric turbidity units (NTU), when possible. Quality-assurance data, obtained from equipment blanks and split samples, indicated that trace element concentrations, with the exception of iron, chromium, aluminum, and zinc, measured in the samples collected in 1994 were not subject to random contamination at 1μg/L.Results from samples collected in 1994 were compared to those from samples collected in 1991 from the same 12 PVC-cased observation wells using the available sampling and analytical techniques at that time. Concentrations of copper, lead, manganese and zinc were statistically significantly lower in samples collected in 1994 than in 1991. Sampling techniques used in 1994 likely provided trace-element data that represented concentrations in the aquifer with less bias than data from 1991 when samples were collected without the same degree of attention to sample handling.

Review of online coupling of sample preparation techniques with liquid chromatography.

PubMed

Pan, Jialiang; Zhang, Chengjiang; Zhang, Zhuomin; Li, Gongke

2014-03-07

Sample preparation is still considered as the bottleneck of the whole analytical procedure, and efforts has been conducted towards the automation, improvement of sensitivity and accuracy, and low comsuption of organic solvents. Development of online sample preparation techniques (SP) coupled with liquid chromatography (LC) is a promising way to achieve these goals, which has attracted great attention. This article reviews the recent advances on the online SP-LC techniques. Various online SP techniques have been described and summarized, including solid-phase-based extraction, liquid-phase-based extraction assisted with membrane, microwave assisted extraction, ultrasonic assisted extraction, accelerated solvent extraction and supercritical fluids extraction. Specially, the coupling approaches of online SP-LC systems and the corresponding interfaces have been discussed and reviewed in detail, such as online injector, autosampler combined with transport unit, desorption chamber and column switching. Typical applications of the online SP-LC techniques have been summarized. Then the problems and expected trends in this field are attempted to be discussed and proposed in order to encourage the further development of online SP-LC techniques. Copyright © 2014 Elsevier B.V. All rights reserved.

Techniques for Forecasting Air Passenger Traffic

NASA Technical Reports Server (NTRS)

Taneja, N.

1972-01-01

The basic techniques of forecasting the air passenger traffic are outlined. These techniques can be broadly classified into four categories: judgmental, time-series analysis, market analysis and analytical. The differences between these methods exist, in part, due to the degree of formalization of the forecasting procedure. Emphasis is placed on describing the analytical method.

Comprehensive study of solid pharmaceutical tablets in visible, near infrared (NIR), and longwave infrared (LWIR) spectral regions using a rapid simultaneous ultraviolet/visible/NIR (UVN) + LWIR laser-induced breakdown spectroscopy linear arrays detection system and a fast acousto-optic tunable filter NIR spectrometer.

PubMed

Yang, Clayton S C; Jin, Feng; Swaminathan, Siva R; Patel, Sita; Ramer, Evan D; Trivedi, Sudhir B; Brown, Ei E; Hommerich, Uwe; Samuels, Alan C

2017-10-30

This is the first report of a simultaneous ultraviolet/visible/NIR and longwave infrared laser-induced breakdown spectroscopy (UVN + LWIR LIBS) measurement. In our attempt to study the feasibility of combining the newly developed rapid LWIR LIBS linear array detection system to existing rapid analytical techniques for a wide range of chemical analysis applications, two different solid pharmaceutical tablets, Tylenol arthritis pain and Bufferin, were studied using both a recently designed simultaneous UVN + LWIR LIBS detection system and a fast AOTF NIR (1200 to 2200 nm) spectrometer. Every simultaneous UVN + LWIR LIBS emission spectrum in this work was initiated by one single laser pulse-induced micro-plasma in the ambient air atmosphere. Distinct atomic and molecular LIBS emission signatures of the target compounds measured simultaneously in UVN (200 to 1100 nm) and LWIR (5.6 to 10 µm) spectral regions are readily detected and identified without the need to employ complex data processing. In depth profiling studies of these two pharmaceutical tablets without any sample preparation, one can easily monitor the transition of the dominant LWIR emission signatures from coating ingredients gradually to the pharmaceutical ingredients underneath the coating. The observed LWIR LIBS emission signatures provide complementary molecular information to the UVN LIBS signatures, thus adding robustness to identification procedures. LIBS techniques are more surface specific while NIR spectroscopy has the capability to probe more bulk materials with its greater penetration depth. Both UVN + LWIR LIBS and NIR absorption spectroscopy have shown the capabilities of acquiring useful target analyte spectral signatures in comparable short time scales. The addition of a rapid LWIR spectroscopic probe to these widely used optical analytical methods, such as NIR spectroscopy and UVN LIBS, may greatly enhance the capability and accuracy of the combined system for a comprehensive analysis.

Compact high order schemes with gradient-direction derivatives for absorbing boundary conditions

NASA Astrophysics Data System (ADS)

Gordon, Dan; Gordon, Rachel; Turkel, Eli

2015-09-01

We consider several compact high order absorbing boundary conditions (ABCs) for the Helmholtz equation in three dimensions. A technique called "the gradient method" (GM) for ABCs is also introduced and combined with the high order ABCs. GM is based on the principle of using directional derivatives in the direction of the wavefront propagation. The new ABCs are used together with the recently introduced compact sixth order finite difference scheme for variable wave numbers. Experiments on problems with known analytic solutions produced very accurate results, demonstrating the efficacy of the high order schemes, particularly when combined with GM. The new ABCs are then applied to the SEG/EAGE Salt model, showing the advantages of the new schemes.

Multimedia Analysis plus Visual Analytics = Multimedia Analytics

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

Chinchor, Nancy; Thomas, James J.; Wong, Pak C.

2010-10-01

Multimedia analysis has focused on images, video, and to some extent audio and has made progress in single channels excluding text. Visual analytics has focused on the user interaction with data during the analytic process plus the fundamental mathematics and has continued to treat text as did its precursor, information visualization. The general problem we address in this tutorial is the combining of multimedia analysis and visual analytics to deal with multimedia information gathered from different sources, with different goals or objectives, and containing all media types and combinations in common usage.

A reference web architecture and patterns for real-time visual analytics on large streaming data

NASA Astrophysics Data System (ADS)

Kandogan, Eser; Soroker, Danny; Rohall, Steven; Bak, Peter; van Ham, Frank; Lu, Jie; Ship, Harold-Jeffrey; Wang, Chun-Fu; Lai, Jennifer

2013-12-01

Monitoring and analysis of streaming data, such as social media, sensors, and news feeds, has become increasingly important for business and government. The volume and velocity of incoming data are key challenges. To effectively support monitoring and analysis, statistical and visual analytics techniques need to be seamlessly integrated; analytic techniques for a variety of data types (e.g., text, numerical) and scope (e.g., incremental, rolling-window, global) must be properly accommodated; interaction, collaboration, and coordination among several visualizations must be supported in an efficient manner; and the system should support the use of different analytics techniques in a pluggable manner. Especially in web-based environments, these requirements pose restrictions on the basic visual analytics architecture for streaming data. In this paper we report on our experience of building a reference web architecture for real-time visual analytics of streaming data, identify and discuss architectural patterns that address these challenges, and report on applying the reference architecture for real-time Twitter monitoring and analysis.

Detection of lead in brass by laser-induced breakdown spectroscopy combined with laser-induced fluorescence

NASA Astrophysics Data System (ADS)

Goueguel, Christian; Laville, Stéphane; Loudyi, Hakim; Chaker, Mohamed; Sabsabi, Mohamad; Vidal, François

2008-06-01

Laser-Induced Breakdown Spectroscopy (LIBS) technique combined with Laser-Induced Fluorescence (LIF) is known to be a high sensitivity and high selectivity analytical technique. Although sub-ppm limits of detection (LoD) have already been demonstrated, there is still a constant and urgent need to reach lower LoDs. Here, we report results obtained for the detection of lead trace in brass samples. The plasma was produced by a Q-switched Nd:YAG laser at 1064 nm and then re-excited by a nanosecond optical parametric oscillator (OPO) laser tuned at 283.31 nm. Emission from Pb atoms was then observed at 405.78 nm. The experiments were performed in air at atmospheric pressure. We found out that the optimal conditions were obtained for an ablation fluence of 2-3 J/cm2 and inter-pulse delay of 8-10 μs. Also, excitation energy of about 200 μJ was required to maximize the Pb(I) 405.78 nm emission. Using the LIBS-LIFS technique, the LoD was estimated to be about 180 ppb over 100 laser shots, which corresponds to an improvement of about two orders of magnitude with that obtained using conventional LIBS.

A Versatile Integrated Ambient Ionization Source Platform.

PubMed

Ai, Wanpeng; Nie, Honggang; Song, Shiyao; Liu, Xiaoyun; Bai, Yu; Liu, Huwei

2018-04-30

The pursuit of high-throughput sample analysis from complex matrix demands development of multiple ionization techniques with complementary specialties. A versatile integrated ambient ionization source (iAmIS) platform is proposed in this work, based on the idea of integrating multiple functions, enhancing the efficiency of current ionization techniques, extending the applications, and decreasing the cost of the instrument. The design of the iAmIS platform combines flowing atmospheric pressure afterglow (FAPA) source/direct analysis in real time (DART), dielectric barrier discharge ionization (DBDI)/low-temperature plasma (LTP), desorption electrospray ionization (DESI), and laser desorption (LD) technique. All individual and combined ionization modes can be easily attained by modulating parameters. In particular, the FAPA/DART&DESI mode can realize the detection of polar and nonpolar compounds at the same time with two different ionization mechanisms: proton transfer and charge transfer. The introduction of LD contributes to the mass spectrometry imaging and the surface-assisted laser desorption (SALDI) under ambient condition. Compared with other individual or multi-mode ion source, the iAmIS platform provides the flexibility of choosing different ionization modes, broadens the scope of the analyte detection, and facilitates the analysis of complex samples. Graphical abstract ᅟ.

Identification and quantitation of semi-crystalline microplastics using image analysis and differential scanning calorimetry.

PubMed

Rodríguez Chialanza, Mauricio; Sierra, Ignacio; Pérez Parada, Andrés; Fornaro, Laura

2018-06-01

There are several techniques used to analyze microplastics. These are often based on a combination of visual and spectroscopic techniques. Here we introduce an alternative workflow for identification and mass quantitation through a combination of optical microscopy with image analysis (IA) and differential scanning calorimetry (DSC). We studied four synthetic polymers with environmental concern: low and high density polyethylene (LDPE and HDPE, respectively), polypropylene (PP), and polyethylene terephthalate (PET). Selected experiments were conducted to investigate (i) particle characterization and counting procedures based on image analysis with open-source software, (ii) chemical identification of microplastics based on DSC signal processing, (iii) dependence of particle size on DSC signal, and (iv) quantitation of microplastics mass based on DSC signal. We describe the potential and limitations of these techniques to increase reliability for microplastic analysis. Particle size demonstrated to have particular incidence in the qualitative and quantitative performance of DSC signals. Both, identification (based on characteristic onset temperature) and mass quantitation (based on heat flow) showed to be affected by particle size. As a result, a proper sample treatment which includes sieving of suspended particles is particularly required for this analytical approach.

Surface analysis characterisation of gum binders used in modern watercolour paints

NASA Astrophysics Data System (ADS)

Sano, Naoko; Cumpson, Peter J.

2016-02-01

Conducting this study has demonstrated that not only SEM-EDX but also XPS can be an efficient tool for characterising watercolour paint surfaces. We find that surface effects are mediated by water. Once the powdered components in the watercolour come into contact with water they dramatically transform their chemical structures at the surface and show the presence of pigment components with a random dispersion within the gum layer. Hence the topmost surface of the paint is confirmed as being composed of the gum binder components. This result is difficult to confirm using just one analytical technique (either XPS or SEM-EDX). In addition, peak fitting of C1s XPS spectra suggests that the gum binder in the commercial watercolour paints is probably gum arabic (by comparison with the reference materials). This identification is not conclusive, but the combination techniques of XPS and SEM shows the surface structure with material distribution of the gum binder and the other ingredients of the watercolour paints. Therefore as a unique technique, XPS combined with SEM-EDX may prove a useful method in the study of surface structure for not only watercolour objects but also other art objects; which may in future help in the conservation for art.

A Versatile Integrated Ambient Ionization Source Platform

NASA Astrophysics Data System (ADS)

Ai, Wanpeng; Nie, Honggang; Song, Shiyao; Liu, Xiaoyun; Bai, Yu; Liu, Huwei

2018-04-01

The pursuit of high-throughput sample analysis from complex matrix demands development of multiple ionization techniques with complementary specialties. A versatile integrated ambient ionization source (iAmIS) platform is proposed in this work, based on the idea of integrating multiple functions, enhancing the efficiency of current ionization techniques, extending the applications, and decreasing the cost of the instrument. The design of the iAmIS platform combines flowing atmospheric pressure afterglow (FAPA) source/direct analysis in real time (DART), dielectric barrier discharge ionization (DBDI)/low-temperature plasma (LTP), desorption electrospray ionization (DESI), and laser desorption (LD) technique. All individual and combined ionization modes can be easily attained by modulating parameters. In particular, the FAPA/DART&DESI mode can realize the detection of polar and nonpolar compounds at the same time with two different ionization mechanisms: proton transfer and charge transfer. The introduction of LD contributes to the mass spectrometry imaging and the surface-assisted laser desorption (SALDI) under ambient condition. Compared with other individual or multi-mode ion source, the iAmIS platform provides the flexibility of choosing different ionization modes, broadens the scope of the analyte detection, and facilitates the analysis of complex samples. [Figure not available: see fulltext.

Easy ambient sonic-spray ionization mass spectrometry combined with thin-layer chromatography.

PubMed

Haddad, Renato; Milagre, Humberto M S; Catharino, Rodrigo Ramos; Eberlin, Marcos N

2008-04-15

On-spot detection and analyte characterization on thin-layer chromatography (TLC) plates is performed via ambient desorption/ionization and (tandem) mass spectrometry detection, that is, via easy ambient sonic spray ionization mass spectrometry (EASI-MS). As proof-of-principle cases, mixtures of semipolar nitrogenated compounds as well as pharmaceutical drugs and vegetable oils have been tested. The technique has also been applied to monitor a chemical reaction of synthetic importance. EASI is the simplest and gentlest ambient ionization technique currently available, assisted solely by N2 (or air). It uses no voltages, no electrical discharges; no UV or laser beams, and no high temperature and is most easily implemented in all API mass spectrometers. TLC is also the simplest, fastest, and most easily performed chromatographic technique. TLC plus EASI-MS therefore provide a simple and advantageous combination of chromatographic separation and sensitive detection of the TLC spots as well as on-spot MS or MS/MS characterization. The favorable characteristics of TLC-EASI-MS indicate advantageous applications in several areas such as drug and oil analysis, phytochemistry and synthetic chemistry, forensics via reliable counterfeit detection, and quality control.

Earth Science Data Analytics: Preparing for Extracting Knowledge from Information

NASA Technical Reports Server (NTRS)

Kempler, Steven; Barbieri, Lindsay

2016-01-01

Data analytics is the process of examining large amounts of data of a variety of types to uncover hidden patterns, unknown correlations and other useful information. Data analytics is a broad term that includes data analysis, as well as an understanding of the cognitive processes an analyst uses to understand problems and explore data in meaningful ways. Analytics also include data extraction, transformation, and reduction, utilizing specific tools, techniques, and methods. Turning to data science, definitions of data science sound very similar to those of data analytics (which leads to a lot of the confusion between the two). But the skills needed for both, co-analyzing large amounts of heterogeneous data, understanding and utilizing relevant tools and techniques, and subject matter expertise, although similar, serve different purposes. Data Analytics takes on a practitioners approach to applying expertise and skills to solve issues and gain subject knowledge. Data Science, is more theoretical (research in itself) in nature, providing strategic actionable insights and new innovative methodologies. Earth Science Data Analytics (ESDA) is the process of examining, preparing, reducing, and analyzing large amounts of spatial (multi-dimensional), temporal, or spectral data using a variety of data types to uncover patterns, correlations and other information, to better understand our Earth. The large variety of datasets (temporal spatial differences, data types, formats, etc.) invite the need for data analytics skills that understand the science domain, and data preparation, reduction, and analysis techniques, from a practitioners point of view. The application of these skills to ESDA is the focus of this presentation. The Earth Science Information Partners (ESIP) Federation Earth Science Data Analytics (ESDA) Cluster was created in recognition of the practical need to facilitate the co-analysis of large amounts of data and information for Earth science. Thus, from a to advance science point of view: On the continuum of ever evolving data management systems, we need to understand and develop ways that allow for the variety of data relationships to be examined, and information to be manipulated, such that knowledge can be enhanced, to facilitate science. Recognizing the importance and potential impacts of the unlimited ways to co-analyze heterogeneous datasets, now and especially in the future, one of the objectives of the ESDA cluster is to facilitate the preparation of individuals to understand and apply needed skills to Earth science data analytics. Pinpointing and communicating the needed skills and expertise is new, and not easy. Information technology is just beginning to provide the tools for advancing the analysis of heterogeneous datasets in a big way, thus, providing opportunity to discover unobvious scientific relationships, previously invisible to the science eye. And it is not easy It takes individuals, or teams of individuals, with just the right combination of skills to understand the data and develop the methods to glean knowledge out of data and information. In addition, whereas definitions of data science and big data are (more or less) available (summarized in Reference 5), Earth science data analytics is virtually ignored in the literature, (barring a few excellent sources).

Analysis of wastewater samples by direct combination of thin-film microextraction and desorption electrospray ionization mass spectrometry.

PubMed

Strittmatter, Nicole; Düring, Rolf-Alexander; Takáts, Zoltán

2012-09-07

An analysis method for aqueous samples by the direct combination of C18/SCX mixed mode thin-film microextraction (TFME) and desorption electrospray ionization mass spectrometry (DESI-MS) was developed. Both techniques make analytical workflow simpler and faster, hence the combination of the two techniques enables considerably shorter analysis time compared to the traditional liquid chromatography mass spectrometry (LC-MS) approach. The method was characterized using carbamazepine and triclosan as typical examples for pharmaceuticals and personal care product (PPCP) components which draw increasing attention as wastewater-derived environmental contaminants. Both model compounds were successfully detected in real wastewater samples and their concentrations determined using external calibration with isotope labeled standards. Effects of temperature, agitation, sample volume, and exposure time were investigated in the case of spiked aqueous samples. Results were compared to those of parallel HPLC-MS determinations and good agreement was found through a three orders of magnitude wide concentration range. Serious matrix effects were observed in treated wastewater, but lower limits of detection were still found to be in the low ng L(-1) range. Using an Orbitrap mass spectrometer, the technique was found to be ideal for screening purposes and led to the detection of various different PPCP components in wastewater treatment plant effluents, including beta-blockers, nonsteroidal anti-inflammatory drugs, and UV filters.

Detection of trace amount of arsenic in groundwater by laser-induced breakdown spectroscopy and adsorption

NASA Astrophysics Data System (ADS)

Haider, A. F. M. Y.; Hedayet Ullah, M.; Khan, Z. H.; Kabir, Firoza; Abedin, K. M.

2014-03-01

LIBS technique coupled with adsorption has been applied for the efficient detection of arsenic in liquid. Several adsorbents like tea leaves, bamboo slice, charcoal and zinc oxide have been used to enable sensitive detection of arsenic presence in water using LIBS. Among these, zinc oxide and charcoal show the better results. The detection limits for arsenic in water were 1 ppm and 8 ppm, respectively, when ZnO and charcoal were used as adsorbents of arsenic. To date, the determination of 1 ppm of As in water is the lowest concentration of detected arsenic in water by the LIBS technique. The detection limit of As was lowered to even less than 100 ppb by a combination of LIBS technique, adsorption by ZnO and concentration enhancement technique. Using the combination of these three techniques the ultimate concentration of arsenic was found to be 0.083 ppm (83 ppb) for arsenic polluted water collected from a tube-well of Farajikandi union (longitude 90.64°, latitude 23.338° north) of Matlab Upozila of Chandpur district in Bangladesh. This result compares fairly well with the finding of arsenic concentration of 0.078 ppm in the sample by the AAS technique at the Bangladesh Council of Scientific and Industrial Research (BCSIR) lab. Such a low detection limit (1 ppm) of trace elements in liquid matrix has significantly enhanced the scope of LIBS as an analytical tool.

Development of a carbon-nanoparticle-coated stirrer for stir bar sorptive extraction by a simple carbon deposition in flame.

PubMed

Feng, Juanjuan; Sun, Min; Bu, Yanan; Luo, Chuannan

2016-03-01

Stir bar sorptive extraction is an environmentally friendly microextraction technique based on a stir bar with various sorbents. A commercial stirrer is a good support, but it has not been used in stir bar sorptive extraction due to difficult modification. A stirrer was modified with carbon nanoparticles by a simple carbon deposition process in flame and characterized by scanning electron microscopy and energy-dispersive X-ray spectrometry. A three-dimensional porous coating was formed with carbon nanoparticles. In combination with high-performance liquid chromatography, the stir bar was evaluated using five polycyclic aromatic hydrocarbons as model analytes. Conditions including extraction time and temperature, ionic strength, and desorption solvent were investigated by a factor-by-factor optimization method. The established method exhibited good linearity (0.01-10 μg/L) and low limits of quantification (0.01 μg/L). It was applied to detect model analytes in environmental water samples. No analyte was detected in river water, and five analytes were quantified in rain water. The recoveries of five analytes in two samples with spiked at 2 μg/L were in the range of 92.2-106% and 93.4-108%, respectively. The results indicated that the carbon nanoparticle-coated stirrer was an efficient stir bar for extraction analysis of some polycyclic aromatic hydrocarbons. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mass spectrometric methods for monitoring redox processes in electrochemical cells.

PubMed

Oberacher, Herbert; Pitterl, Florian; Erb, Robert; Plattner, Sabine

2015-01-01

Electrochemistry (EC) is a mature scientific discipline aimed to study the movement of electrons in an oxidation-reduction reaction. EC covers techniques that use a measurement of potential, charge, or current to determine the concentration or the chemical reactivity of analytes. The electrical signal is directly converted into chemical information. For in-depth characterization of complex electrochemical reactions involving the formation of diverse intermediates, products and byproducts, EC is usually combined with other analytical techniques, and particularly the hyphenation of EC with mass spectrometry (MS) has found broad applicability. The analysis of gases and volatile intermediates and products formed at electrode surfaces is enabled by differential electrochemical mass spectrometry (DEMS). In DEMS an electrochemical cell is sampled with a membrane interface for electron ionization (EI)-MS. The chemical space amenable to EC/MS (i.e., bioorganic molecules including proteins, peptides, nucleic acids, and drugs) was significantly increased by employing electrospray ionization (ESI)-MS. In the simplest setup, the EC of the ESI process is used to analytical advantage. A limitation of this approach is, however, its inability to precisely control the electrochemical potential at the emitter electrode. Thus, particularly for studying mechanistic aspects of electrochemical processes, the hyphenation of discrete electrochemical cells with ESI-MS was found to be more appropriate. The analytical power of EC/ESI-MS can further be increased by integrating liquid chromatography (LC) as an additional dimension of separation. Chromatographic separation was found to be particularly useful to reduce the complexity of the sample submitted either to the EC cell or to ESI-MS. Thus, both EC/LC/ESI-MS and LC/EC/ESI-MS are common. © 2013 The Authors. Mass Spectrometry Reviews published by Wiley Periodicals, Inc.

Mass spectrometric methods for monitoring redox processes in electrochemical cells

PubMed Central

Oberacher, Herbert; Pitterl, Florian; Erb, Robert; Plattner, Sabine

2015-01-01

Electrochemistry (EC) is a mature scientific discipline aimed to study the movement of electrons in an oxidation–reduction reaction. EC covers techniques that use a measurement of potential, charge, or current to determine the concentration or the chemical reactivity of analytes. The electrical signal is directly converted into chemical information. For in-depth characterization of complex electrochemical reactions involving the formation of diverse intermediates, products and byproducts, EC is usually combined with other analytical techniques, and particularly the hyphenation of EC with mass spectrometry (MS) has found broad applicability. The analysis of gases and volatile intermediates and products formed at electrode surfaces is enabled by differential electrochemical mass spectrometry (DEMS). In DEMS an electrochemical cell is sampled with a membrane interface for electron ionization (EI)-MS. The chemical space amenable to EC/MS (i.e., bioorganic molecules including proteins, peptides, nucleic acids, and drugs) was significantly increased by employing electrospray ionization (ESI)-MS. In the simplest setup, the EC of the ESI process is used to analytical advantage. A limitation of this approach is, however, its inability to precisely control the electrochemical potential at the emitter electrode. Thus, particularly for studying mechanistic aspects of electrochemical processes, the hyphenation of discrete electrochemical cells with ESI-MS was found to be more appropriate. The analytical power of EC/ESI-MS can further be increased by integrating liquid chromatography (LC) as an additional dimension of separation. Chromatographic separation was found to be particularly useful to reduce the complexity of the sample submitted either to the EC cell or to ESI-MS. Thus, both EC/LC/ESI-MS and LC/EC/ESI-MS are common. PMID:24338642

Ultrasound-assisted low-density solvent dispersive liquid-liquid microextraction for the determination of 4 designer benzodiazepines in urine samples by gas chromatography-triple quadrupole mass spectrometry.

PubMed

Meng, Liang; Zhu, Binling; Zheng, Kefang; Fu, Shanlin

2017-05-15

A novel microextraction technique based on ultrasound-assisted low-density solvent dispersive liquid-liquid microextraction (UA-LDS-DLLME) had been applied for the determination of 4 designer benzodiazepines (phenazepam, diclazepam, flubromazepam and etizolam) in urine samples by gas chromatography- triple quadrupole mass spectrometry (GC-QQQ-MS). Ethyl acetate (168μL) was added into the urine samples after adjusting pH to 11.3. The samples were sonicated in an ultrasonic bath for 5.5min to form a cloudy suspension. After centrifugation at 10000rpm for 3min, the supernatant extractant was withdrawn and injected into the GC-QQQ-MS for analysis. Parameters affecting the extraction efficiency have been investigated and optimized by means of single factor experiment and response surface methodology (Box-Behnken design). Under the optimum extraction conditions, a recovery of 73.8-85.5% were obtained for all analytes. The analytical method was linear for all analytes in the range from 0.003 to 10μg/mL with the correlation coefficient ranging from 0.9978 to 0.9990. The LODs were estimated to be 1-3ng/mL. The accuracy (expressed as mean relative error MRE) was within ±5.8% and the precision (expressed as relative standard error RSD) was less than 5.9%. UA-LDS-DLLME technique has the advantages of shorter extraction time and is suitable for simultaneous pretreatment of samples in batches. The combination of UA-LDS-DLLME with GC-QQQ-MS offers an alternative analytical approach for the sensitive detection of these designer benzodiazepines in urine matrix for clinical and medico-legal purposes. Copyright © 2017 Elsevier B.V. All rights reserved.

Minimum impulse three-body trajectories.

NASA Technical Reports Server (NTRS)

D'Amario, L.; Edelbaum, T. N.

1973-01-01

A rapid and accurate method of calculating optimal impulsive transfers in the restricted problem of three bodies has been developed. The technique combines a multi-conic method of trajectory integration with primer vector theory and an accelerated gradient method of trajectory optimization. A unique feature is that the state transition matrix and the primer vector are found analytical without additional integrations or differentiations. The method has been applied to the determination of optimal two and three impulse transfers between the L2 libration point and circular orbits about both the earth and the moon.

Experimental verification of a new laminar airfoil: A project for the graduate program in aeronautics

NASA Technical Reports Server (NTRS)

Nicks, Oran W.; Korkan, Kenneth D.

1991-01-01

Two reports on student activities to determine the properties of a new laminar airfoil which were delivered at a conference on soaring technology are presented. The papers discuss a wind tunnel investigation and analysis of the SM701 airfoil and verification of the SM701 airfoil aerodynamic charcteristics utilizing theoretical techniques. The papers are based on a combination of analytical design, hands-on model fabrication, wind tunnel calibration and testing, data acquisition and analysis, and comparison of test results and theory.

Determination of Mechanical Properties of Spatially Heterogeneous Breast Tissue Specimens Using Contact Mode Atomic Force Microscopy (AFM)

PubMed Central

Roy, Rajarshi; Desai, Jaydev P.

2016-01-01

This paper outlines a comprehensive parametric approach for quantifying mechanical properties of spatially heterogeneous thin biological specimens such as human breast tissue using contact-mode Atomic Force Microscopy. Using inverse finite element (FE) analysis of spherical nanoindentation, the force response from hyperelastic material models is compared with the predicted force response from existing analytical contact models, and a sensitivity study is carried out to assess uniqueness of the inverse FE solution. Furthermore, an automation strategy is proposed to analyze AFM force curves with varying levels of material nonlinearity with minimal user intervention. Implementation of our approach on an elastic map acquired from raster AFM indentation of breast tissue specimens indicates that a judicious combination of analytical and numerical techniques allow more accurate interpretation of AFM indentation data compared to relying on purely analytical contact models, while keeping the computational cost associated an inverse FE solution with reasonable limits. The results reported in this study have several implications in performing unsupervised data analysis on AFM indentation measurements on a wide variety of heterogeneous biomaterials. PMID:25015130

Generation of electrochemiluminescence at bipolar electrodes: concepts and applications.

PubMed

Bouffier, Laurent; Arbault, Stéphane; Kuhn, Alexander; Sojic, Neso

2016-10-01

Bipolar electrochemistry (BPE) is an unconventional technique where a conducting object is addressed electrochemically in an electrolyte without any wire connection with an external power supply. BPE has been known for decades but remained limited to only a couple of niche applications. However, it is now undergoing a true renewal of interest especially in the context of analytical chemistry. The bipolar electrode exhibits two distinct poles of opposite polarization with respect to the solution. This allows one to separate the localization of sensing elements versus reporting ones. Also, arrays of bipolar microelectrodes can be addressed simultaneously to perform parallel analyses. Among several reporting strategies, the combination of BPE with electro-chemiluminescence (ECL) is the most frequent choice owing to the very simple visual readout provided by ECL. This article reviews the field from the initial reports to the most recent ones, revealing numerous opportunities including novel analytical strategies for the detection of small molecular analytes and biorelevant molecules such as DNA, RNA, peptides, or other biomarkers. Graphical Abstract Principle of electrochemiluminescence generation at one extremity of a bipolar electrode.

Principles of Micellar Electrokinetic Capillary Chromatography Applied in Pharmaceutical Analysis

PubMed Central

Hancu, Gabriel; Simon, Brigitta; Rusu, Aura; Mircia, Eleonora; Gyéresi, Árpád

2013-01-01

Since its introduction capillary electrophoresis has shown great potential in areas where electrophoretic techniques have rarely been used before, including here the analysis of pharmaceutical substances. The large majority of pharmaceutical substances are neutral from electrophoretic point of view, consequently separations by the classic capillary zone electrophoresis; where separation is based on the differences between the own electrophoretic mobilities of the analytes; are hard to achieve. Micellar electrokinetic capillary chromatography, a hybrid method that combines chromatographic and electrophoretic separation principles, extends the applicability of capillary electrophoretic methods to neutral analytes. In micellar electrokinetic capillary chromatography, surfactants are added to the buffer solution in concentration above their critical micellar concentrations, consequently micelles are formed; micelles that undergo electrophoretic migration like any other charged particle. The separation is based on the differential partitioning of an analyte between the two-phase system: the mobile aqueous phase and micellar pseudostationary phase. The present paper aims to summarize the basic aspects regarding separation principles and practical applications of micellar electrokinetic capillary chromatography, with particular attention to those relevant in pharmaceutical analysis. PMID:24312804

Quantitation of cocaine and cocaethylene in small volumes of rat whole blood using gas chromatography-mass spectrometry.

PubMed

Burdick, J D; Boni, R L; Fochtman, F W

1997-05-01

A simple solid phase extraction (SPE) technique combined with gas chromatography-mass spectrometry (GC/MS) operated in selected ion monitoring (SIM) mode is described for quantitation of cocaine and cocaethylene in small samples (250 microliters) of rat whole blood. Use of (N-[2H3C])-cocaine and (N-[2H3C])-cocaethylene internal standards resulted in high sensitivity and selectivity for this analytical method. Analysis was performed using a Hewlett-Packard 5890 GC equipped with a 7673A Automatic Liquid Sampler linked to a Hewlett-Packard 5972 Mass Selective Detector. Separation of analytes was accomplished on a cross-linked methyl silicone gum capillary column (Ultra 1: 12m x 0.2mm (i.d.) x 0.33 microns). Linearity was established over a wide range of concentrations (5.0-2000.0 ng ml-1) with good precision. Limits of detection (LOD) were 1.0 and 2.0 ng ml-1 for cocaine and cocaethylene, respectively. This analytical method was designed for use in pharmacokinetic experiments studying the formation of cocaethylene following ethanol pretreatment in rats administered cocaine.

Aspects of Voyager photogrammetry

NASA Technical Reports Server (NTRS)

Wu, Sherman S. C.; Schafer, Francis J.; Jordan, Raymond; Howington, Annie-Elpis

1987-01-01

In January 1986, Voyager 2 took a series of pictures of Uranus and its satellites with the Imaging Science System (ISS) on board the spacecraft. Based on six stereo images from the ISS narrow-angle camera, a topographic map was compiled of the Southern Hemisphere of Miranda, one of Uranus' moons. Assuming a spherical figure, a 20-km surface relief is shown on the map. With three additional images from the ISS wide-angle camera, a control network of Miranda's Southern Hemisphere was established by analytical photogrammetry, producing 88 ground points for the control of multiple-model compilation on the AS-11AM analytical stereoplotter. Digital terrain data from the topographic map of Miranda have also been produced. By combining these data and the image data from the Voyager 2 mission, perspective views or even a movie of the mapped area can be made. The application of these newly developed techniques to Voyager 1 imagery, which includes a few overlapping pictures of Io and Ganymede, permits the compilation of contour maps or topographic profiles of these bodies on the analytical stereoplotters.

The potential of SNP-based PCR-RFLP capillary electrophoresis analysis to authenticate and detect admixtures of Mediterranean olive oils.

PubMed

Bazakos, Christos; Khanfir, Emna; Aoun, Mariem; Spano, Thodhoraq; Zein, Zeina El; Chalak, Lamis; Riachy, Milad El; Abou-Sleymane, Gretta; Ali, Sihem Ben; Grati Kammoun, Naziha; Kalaitzis, Panagiotis

2016-07-01

Authentication and traceability of extra virgin olive oil is a challenging research task due to the complexity of fraudulent practices. In this context, the monovarietal olive oils of Protected Designation of Origin (PDO) and Protected Geographical Indication (PGI) require new tests and cutting edge analytical technologies to detect mislabeling and misleading origin. Toward this direction, DNA-based technologies could serve as a complementary to the analytical techniques assay. Single nucleotide polymorphisms are ideal molecular markers since they require short PCR analytical targets which are a prerequisite for forensic applications in olive oil sector. In the present study, a small number of polymorphic SNPs were used with an SNP-based PCR-RFLP capillary electrophoresis platform to discriminate six out of 13 monovarietal olive oils of Mediterranean origin from three different countries, Greece, Tunisia, and Lebanon. Moreover, the high sensitivity of capillary electrophoresis in combination with the DNA extraction protocol lowered the limit of detection to 10% in an admixture of Tsounati in a Koroneiki olive oil matrix. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multidimensional chromatographic techniques for hydrophilic copolymers II. Analysis of poly(ethylene glycol)-poly(vinyl acetate) graft copolymers.

PubMed

Knecht, Daniela; Rittig, Frank; Lange, Ronald F M; Pasch, Harald

2006-10-13

A large variety of hydrophilic copolymers is applied in different fields of chemical industry including bio, pharma and pharmaceutical applications. For example, poly(ethylene glycol)-poly(vinyl alcohol) graft copolymers that are used as tablet coatings are responsible for the controlled release of the active compounds. These copolymers are produced by grafting of vinyl acetate onto polyethylene glycol (PEG) and subsequent hydrolysis of the poly(ethylene glycol)-poly(vinyl acetate) graft copolymers. The poly(ethylene glycol)-poly(vinyl acetate) copolymers are distributed with regard to molar mass and chemical composition. In addition, they frequently contain the homopolymers polyethylene glycol and polyvinyl acetate. The comprehensive analysis of such complex systems requires hyphenated analytical techniques, including two-dimensional liquid chromatography and combined LC and nuclear magnetic resonance spectroscopy. The development and application of these techniques are discussed in the present paper.

Recent Progress in Optical Biosensors Based on Smartphone Platforms

PubMed Central

Geng, Zhaoxin; Zhang, Xiong; Fan, Zhiyuan; Lv, Xiaoqing; Su, Yue; Chen, Hongda

2017-01-01

With a rapid improvement of smartphone hardware and software, especially complementary metal oxide semiconductor (CMOS) cameras, many optical biosensors based on smartphone platforms have been presented, which have pushed the development of the point-of-care testing (POCT). Imaging-based and spectrometry-based detection techniques have been widely explored via different approaches. Combined with the smartphone, imaging-based and spectrometry-based methods are currently used to investigate a wide range of molecular properties in chemical and biological science for biosensing and diagnostics. Imaging techniques based on smartphone-based microscopes are utilized to capture microscale analysts, while spectrometry-based techniques are used to probe reactions or changes of molecules. Here, we critically review the most recent progress in imaging-based and spectrometry-based smartphone-integrated platforms that have been developed for chemical experiments and biological diagnosis. We focus on the analytical performance and the complexity for implementation of the platforms. PMID:29068375

Four-dimensional modeling of recent vertical movements in the area of the southern California uplift

USGS Publications Warehouse

Vanicek, Petr; Elliot, Michael R.; Castle, Robert O.

1979-01-01

This paper describes an analytical technique that utilizes scattered geodetic relevelings and tide-gauge records to portray Recent vertical crustal movements that may have been characterized by spasmodic changes in velocity. The technique is based on the fitting of a time-varying algebraic surface of prescribed degree to the geodetic data treated as tilt elements and to tide-gauge readings treated as point movements. Desired variations in time can be selected as any combination of powers of vertical movement velocity and episodic events. The state of the modeled vertical displacement can be shown for any number of dates for visual display. Statistical confidence limits of the modeled displacements, derived from the density of measurements in both space and time, line length, and accuracy of input data, are also provided. The capabilities of the technique are demonstrated on selected data from the region of the southern California uplift. 

Use of the Morlet mother wavelet in the frequency-scale domain decomposition technique for the modal identification of ambient vibration responses

NASA Astrophysics Data System (ADS)

Le, Thien-Phu

2017-10-01

The frequency-scale domain decomposition technique has recently been proposed for operational modal analysis. The technique is based on the Cauchy mother wavelet. In this paper, the approach is extended to the Morlet mother wavelet, which is very popular in signal processing due to its superior time-frequency localization. Based on the regressive form and an appropriate norm of the Morlet mother wavelet, the continuous wavelet transform of the power spectral density of ambient responses enables modes in the frequency-scale domain to be highlighted. Analytical developments first demonstrate the link between modal parameters and the local maxima of the continuous wavelet transform modulus. The link formula is then used as the foundation of the proposed modal identification method. Its practical procedure, combined with the singular value decomposition algorithm, is presented step by step. The proposition is finally verified using numerical examples and a laboratory test.

Recent Progress in Optical Biosensors Based on Smartphone Platforms.

PubMed

Geng, Zhaoxin; Zhang, Xiong; Fan, Zhiyuan; Lv, Xiaoqing; Su, Yue; Chen, Hongda

2017-10-25

With a rapid improvement of smartphone hardware and software, especially complementary metal oxide semiconductor (CMOS) cameras, many optical biosensors based on smartphone platforms have been presented, which have pushed the development of the point-of-care testing (POCT). Imaging-based and spectrometry-based detection techniques have been widely explored via different approaches. Combined with the smartphone, imaging-based and spectrometry-based methods are currently used to investigate a wide range of molecular properties in chemical and biological science for biosensing and diagnostics. Imaging techniques based on smartphone-based microscopes are utilized to capture microscale analysts, while spectrometry-based techniques are used to probe reactions or changes of molecules. Here, we critically review the most recent progress in imaging-based and spectrometry-based smartphone-integrated platforms that have been developed for chemical experiments and biological diagnosis. We focus on the analytical performance and the complexity for implementation of the platforms.

[Raman spectroscopy applied to analytical quality control of injectable drugs: analytical evaluation and comparative economic versus HPLC and UV / visible-FTIR].

PubMed

Bourget, P; Amin, A; Vidal, F; Merlette, C; Troude, P; Corriol, O

2013-09-01

In France, central IV admixture of chemotherapy (CT) treatments at the hospital is now required by law. We have previously shown that the shaping of Therapeutic Objects (TOs) could profit from an Analytical Quality Assurance (AQA), closely linked to the batch release, for the three key parameters: identity, purity, and initial concentration of the compound of interest. In the course of recent and diversified works, we showed the technical superiority of non-intrusive Raman Spectroscopy (RS) vs. any other analytical option and, especially for both HPLC and vibrational method using a UV/visible-FTIR coupling. An interconnected qualitative and economic assessment strongly helps to enrich these relevant works. The study compares in operational situation, the performance of three analytical methods used for the AQC of TOs. We used: a) a set of evaluation criteria, b) the depreciation tables of the machinery, c) the cost of disposables, d) the weight of equipment and technical installations, e) the basic accounting unit (unit of work) and its composite costs (Euros), which vary according to the technical options, the weight of both human resources and disposables; finally, different combinations are described. So, the unit of work can take 12 different values between 1 and 5.5 Euros, and we provide various recommendations. A qualitative evaluation grid constantly places the SR technology as superior or equal to the 2 other techniques currently available. Our results demonstrated: a) the major interest of the non-intrusive AQC performed by RS, especially when it is not possible to analyze a TO with existing methods e.g. elastomeric portable pumps, and b) the high potential for this technique to be a strong contributor to the security of the medication circuit, and to fight the iatrogenic effects of drugs especially in the hospital. It also contributes to the protection of all actors in healthcare and of their working environment.

A Newton-Krylov method with an approximate analytical Jacobian for implicit solution of Navier-Stokes equations on staggered overset-curvilinear grids with immersed boundaries.

PubMed

Asgharzadeh, Hafez; Borazjani, Iman

2017-02-15

The explicit and semi-implicit schemes in flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates. Implicit schemes can be used to overcome these restrictions, but implementing them to solve the Navier-Stokes equations is not straightforward due to their non-linearity. Among the implicit schemes for nonlinear equations, Newton-based techniques are preferred over fixed-point techniques because of their high convergence rate but each Newton iteration is more expensive than a fixed-point iteration. Krylov subspace methods are one of the most advanced iterative methods that can be combined with Newton methods, i.e., Newton-Krylov Methods (NKMs) to solve non-linear systems of equations. The success of NKMs vastly depends on the scheme for forming the Jacobian, e.g., automatic differentiation is very expensive, and matrix-free methods without a preconditioner slow down as the mesh is refined. A novel, computationally inexpensive analytical Jacobian for NKM is developed to solve unsteady incompressible Navier-Stokes momentum equations on staggered overset-curvilinear grids with immersed boundaries. Moreover, the analytical Jacobian is used to form preconditioner for matrix-free method in order to improve its performance. The NKM with the analytical Jacobian was validated and verified against Taylor-Green vortex, inline oscillations of a cylinder in a fluid initially at rest, and pulsatile flow in a 90 degree bend. The capability of the method in handling complex geometries with multiple overset grids and immersed boundaries is shown by simulating an intracranial aneurysm. It was shown that the NKM with an analytical Jacobian is 1.17 to 14.77 times faster than the fixed-point Runge-Kutta method, and 1.74 to 152.3 times (excluding an intensively stretched grid) faster than automatic differentiation depending on the grid (size) and the flow problem. In addition, it was shown that using only the diagonal of the Jacobian further improves the performance by 42 - 74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal Jacobian when the stretching factor was increased, respectively. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80-90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future.

A Newton–Krylov method with an approximate analytical Jacobian for implicit solution of Navier–Stokes equations on staggered overset-curvilinear grids with immersed boundaries

PubMed Central

Asgharzadeh, Hafez; Borazjani, Iman

2016-01-01

The explicit and semi-implicit schemes in flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates. Implicit schemes can be used to overcome these restrictions, but implementing them to solve the Navier-Stokes equations is not straightforward due to their non-linearity. Among the implicit schemes for nonlinear equations, Newton-based techniques are preferred over fixed-point techniques because of their high convergence rate but each Newton iteration is more expensive than a fixed-point iteration. Krylov subspace methods are one of the most advanced iterative methods that can be combined with Newton methods, i.e., Newton-Krylov Methods (NKMs) to solve non-linear systems of equations. The success of NKMs vastly depends on the scheme for forming the Jacobian, e.g., automatic differentiation is very expensive, and matrix-free methods without a preconditioner slow down as the mesh is refined. A novel, computationally inexpensive analytical Jacobian for NKM is developed to solve unsteady incompressible Navier-Stokes momentum equations on staggered overset-curvilinear grids with immersed boundaries. Moreover, the analytical Jacobian is used to form preconditioner for matrix-free method in order to improve its performance. The NKM with the analytical Jacobian was validated and verified against Taylor-Green vortex, inline oscillations of a cylinder in a fluid initially at rest, and pulsatile flow in a 90 degree bend. The capability of the method in handling complex geometries with multiple overset grids and immersed boundaries is shown by simulating an intracranial aneurysm. It was shown that the NKM with an analytical Jacobian is 1.17 to 14.77 times faster than the fixed-point Runge-Kutta method, and 1.74 to 152.3 times (excluding an intensively stretched grid) faster than automatic differentiation depending on the grid (size) and the flow problem. In addition, it was shown that using only the diagonal of the Jacobian further improves the performance by 42 – 74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal Jacobian when the stretching factor was increased, respectively. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80–90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future. PMID:28042172

A Newton-Krylov method with an approximate analytical Jacobian for implicit solution of Navier-Stokes equations on staggered overset-curvilinear grids with immersed boundaries

NASA Astrophysics Data System (ADS)

Asgharzadeh, Hafez; Borazjani, Iman

2017-02-01

The explicit and semi-implicit schemes in flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates. Implicit schemes can be used to overcome these restrictions, but implementing them to solve the Navier-Stokes equations is not straightforward due to their non-linearity. Among the implicit schemes for non-linear equations, Newton-based techniques are preferred over fixed-point techniques because of their high convergence rate but each Newton iteration is more expensive than a fixed-point iteration. Krylov subspace methods are one of the most advanced iterative methods that can be combined with Newton methods, i.e., Newton-Krylov Methods (NKMs) to solve non-linear systems of equations. The success of NKMs vastly depends on the scheme for forming the Jacobian, e.g., automatic differentiation is very expensive, and matrix-free methods without a preconditioner slow down as the mesh is refined. A novel, computationally inexpensive analytical Jacobian for NKM is developed to solve unsteady incompressible Navier-Stokes momentum equations on staggered overset-curvilinear grids with immersed boundaries. Moreover, the analytical Jacobian is used to form a preconditioner for matrix-free method in order to improve its performance. The NKM with the analytical Jacobian was validated and verified against Taylor-Green vortex, inline oscillations of a cylinder in a fluid initially at rest, and pulsatile flow in a 90 degree bend. The capability of the method in handling complex geometries with multiple overset grids and immersed boundaries is shown by simulating an intracranial aneurysm. It was shown that the NKM with an analytical Jacobian is 1.17 to 14.77 times faster than the fixed-point Runge-Kutta method, and 1.74 to 152.3 times (excluding an intensively stretched grid) faster than automatic differentiation depending on the grid (size) and the flow problem. In addition, it was shown that using only the diagonal of the Jacobian further improves the performance by 42-74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal and full Jacobian, respectivley, when the stretching factor was increased. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80-90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future.

Characterization of highly concentrated antibody solution - A toolbox for the description of protein long-term solution stability

PubMed Central

Schermeyer, Marie-Therese; Wöll, Anna K.; Eppink, Michel; Hubbuch, Jürgen

2017-01-01

ABSTRACT High protein titers are gaining importance in biopharmaceutical industry. A major challenge in the development of highly concentrated mAb solutions is their long-term stability and often incalculable viscosity. The complexity of the molecule itself, as well as the various molecular interactions, make it difficult to describe their solution behavior. To study the formulation stability, long- and short-range interactions and the formation of complex network structures have to be taken into account. For a better understanding of highly concentrated solutions, we combined established and novel analytical tools to characterize the effect of solution properties on the stability of highly concentrated mAb formulations. In this study, monoclonal antibody solutions in a concentration range of 50–200 mg/ml at pH 5–9 with and without glycine, PEG4000, and Na2SO4 were analyzed. To determine the monomer content, analytical size-exclusion chromatography runs were performed. ζ-potential measurements were conducted to analyze the electrophoretic properties in different solutions. The melting and aggregation temperatures were determined with the help of fluorescence and static light scattering measurements. Additionally, rheological measurements were conducted to study the solution viscosity and viscoelastic behavior of the mAb solutions. The so-determined analytical parameters were scored and merged in an analytical toolbox. The resulting scoring was then successfully correlated with long-term storage (40 d of incubation) experiments. Our results indicate that the sensitivity of complex rheological measurements, in combination with the applied techniques, allows reliable statements to be made with respect to the effect of solution properties, such as protein concentration, ionic strength, and pH shift, on the strength of protein-protein interaction and solution colloidal stability. PMID:28617076

Simulation of wind turbine wakes using the actuator line technique.

PubMed

Sørensen, Jens N; Mikkelsen, Robert F; Henningson, Dan S; Ivanell, Stefan; Sarmast, Sasan; Andersen, Søren J

2015-02-28

The actuator line technique was introduced as a numerical tool to be employed in combination with large eddy simulations to enable the study of wakes and wake interaction in wind farms. The technique is today largely used for studying basic features of wakes as well as for making performance predictions of wind farms. In this paper, we give a short introduction to the wake problem and the actuator line methodology and present a study in which the technique is employed to determine the near-wake properties of wind turbines. The presented results include a comparison of experimental results of the wake characteristics of the flow around a three-bladed model wind turbine, the development of a simple analytical formula for determining the near-wake length behind a wind turbine and a detailed investigation of wake structures based on proper orthogonal decomposition analysis of numerically generated snapshots of the wake. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

Quantitative measurement of solvation shells using frequency modulated atomic force microscopy

NASA Astrophysics Data System (ADS)

Uchihashi, T.; Higgins, M.; Nakayama, Y.; Sader, J. E.; Jarvis, S. P.

2005-03-01

The nanoscale specificity of interaction measurements and additional imaging capability of the atomic force microscope make it an ideal technique for measuring solvation shells in a variety of liquids next to a range of materials. Unfortunately, the widespread use of atomic force microscopy for the measurement of solvation shells has been limited by uncertainties over the dimensions, composition and durability of the tip during the measurements, and problems associated with quantitative force calibration of the most sensitive dynamic measurement techniques. We address both these issues by the combined use of carbon nanotube high aspect ratio probes and quantifying the highly sensitive frequency modulation (FM) detection technique using a recently developed analytical method. Due to the excellent reproducibility of the measurement technique, additional information regarding solvation shell size as a function of proximity to the surface has been obtained for two very different liquids. Further, it has been possible to identify differences between chemical and geometrical effects in the chosen systems.

An Example of a Hakomi Technique Adapted for Functional Analytic Psychotherapy

ERIC Educational Resources Information Center

Collis, Peter

2012-01-01

Functional Analytic Psychotherapy (FAP) is a model of therapy that lends itself to integration with other therapy models. This paper aims to provide an example to assist others in assimilating techniques from other forms of therapy into FAP. A technique from the Hakomi Method is outlined and modified for FAP. As, on the whole, psychotherapy…

Investigation of the feasibility of an analytical method of accounting for the effects of atmospheric drag on satellite motion

NASA Technical Reports Server (NTRS)

Bozeman, Robert E.

1987-01-01

An analytic technique for accounting for the joint effects of Earth oblateness and atmospheric drag on close-Earth satellites is investigated. The technique is analytic in the sense that explicit solutions to the Lagrange planetary equations are given; consequently, no numerical integrations are required in the solution process. The atmospheric density in the technique described is represented by a rotating spherical exponential model with superposed effects of the oblate atmosphere and the diurnal variations. A computer program implementing the process is discussed and sample output is compared with output from program NSEP (Numerical Satellite Ephemeris Program). NSEP uses a numerical integration technique to account for atmospheric drag effects.

Methods for investigating biosurfactants and bioemulsifiers: a review.

PubMed

Satpute, Surekha K; Banpurkar, Arun G; Dhakephalkar, Prashant K; Banat, Ibrahim M; Chopade, Balu A

2010-06-01

Microorganisms produce biosurfactant (BS)/bioemulsifier (BE) with wide structural and functional diversity which consequently results in the adoption of different techniques to investigate these diverse amphiphilic molecules. This review aims to compile information on different microbial screening methods, surface active products extraction procedures, and analytical terminologies used in this field. Different methods for screening microbial culture broth or cell biomass for surface active compounds production are also presented and their possible advantages and disadvantages highlighted. In addition, the most common methods for purification, detection, and structure determination for a wide range of BS and BE are introduced. Simple techniques such as precipitation using acetone, ammonium sulphate, solvent extraction, ultrafiltration, ion exchange, dialysis, ultrafiltration, lyophilization, isoelectric focusing (IEF), and thin layer chromatography (TLC) are described. Other more elaborate techniques including high pressure liquid chromatography (HPLC), infra red (IR), gas chromatography-mass spectroscopy (GC-MS), nuclear magnetic resonance (NMR), and fast atom bombardment mass spectroscopy (FAB-MS), protein digestion and amino acid sequencing are also elucidated. Various experimental strategies including static light scattering and hydrodynamic characterization for micelles have been discussed. A combination of various analytical methods are often essential in this area of research and a numbers of trials and errors to isolate, purify and characterize various surface active agents are required. This review introduces the various methodologies that are indispensable for studying biosurfactants and bioemulsifiers.

Application of radar chart array analysis to visualize effects of formulation variables on IgG1 particle formation as measured by multiple analytical techniques

PubMed Central

Kalonia, Cavan; Kumru, Ozan S.; Kim, Jae Hyun; Middaugh, C. Russell; Volkin, David B.

2013-01-01

This study presents a novel method to visualize protein aggregate and particle formation data to rapidly evaluate the effect of solution and stress conditions on the physical stability of an IgG1 monoclonal antibody (mAb). Radar chart arrays were designed so that hundreds of Microflow Digital Imaging (MFI) solution measurements, evaluating different mAb formulations under varying stresses, could be presented in a single figure with minimal loss of data resolution. These MFI radar charts show measured changes in subvisible particle number, size and morphology distribution as a change in the shape of polygons. Radar charts were also created to visualize mAb aggregate and particle formation across a wide size range by combining data sets from size exclusion chromatography (SEC), Archimedes resonant mass measurements, and MFI. We found that the environmental/mechanical stress condition (e.g., heat vs. agitation) was the most important factor in influencing the particle size and morphology distribution with this IgG1 mAb. Additionally, the presence of NaCl exhibited a pH and stress dependent behavior resulting in promotion or inhibition mAb particle formation. This data visualization technique provides a comprehensive analysis of the aggregation tendencies of this IgG1 mAb in different formulations with varying stresses as measured by different analytical techniques. PMID:24122556

Quantification issues of trace metal contaminants on silicon wafers by means of TOF-SIMS, ICP-MS, and TXRF

NASA Astrophysics Data System (ADS)

Rostam-Khani, P.; Hopstaken, M. J. P.; Vullings, P.; Noij, G.; O'Halloran, O.; Claassen, W.

2004-06-01

Measurement of surface metal contamination on silicon wafers is essential for yield enhancement in IC manufacturing. Vapor phase decomposition coupled with either inductively coupled plasma mass spectrometry (VPD-ICP-MS), or total reflection X-ray fluorescence (VPD-TXRF), TXRF and more recently time of flight secondary ion mass spectrometry (TOF-SIMS) are used to monitor surface metal contamination. These techniques complement each other in their respective strengths and weaknesses. For reliable and accurate quantification, so-called relative sensitivity factors (RSF) are required for TOF-SIMS analysis. For quantification purposes in VPD, the collection efficiency (CE) is important to ensure complete collection of contamination. A standard procedure has been developed that combines the determination of these RSFs as well as the collection efficiency using all the analytical techniques mentioned above. Therefore, sample wafers were intentionally contaminated and analyzed (by TOF-SIMS) directly after preparation. After VPD-ICP-MS, several scanned surfaces were analyzed again by TOF-SIMS. Comparing the intensities of the specific metals before and after the VPD-DC procedure on the scanned surface allows the determination of so-called removing efficiency (RE). In general, very good agreement was obtained comparing the four analytical techniques after updating the RSFs for TOF-SIMS. Progress has been achieved concerning the CE evaluation as well as determining the RSFs more precisely for TOF-SIMS.

Analysis of calibration materials to improve dual-energy CT scanning for petrophysical applications

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

Ayyalasomavaiula, K.; McIntyre, D.; Jain, J.

2011-01-01

Dual energy CT-scanning is a rapidly emerging imaging technique employed in non-destructive evaluation of various materials. Although CT (Computerized Tomography) has been used for characterizing rocks and visualizing and quantifying multiphase flow through rocks for over 25 years, most of the scanning is done at a voltage setting above 100 kV for taking advantage of the Compton scattering (CS) effect, which responds to density changes. Below 100 kV the photoelectric effect (PE) is dominant which responds to the effective atomic numbers (Zeff), which is directly related to the photo electric factor. Using the combination of the two effects helps inmore » better characterization of reservoir rocks. The most common technique for dual energy CT-scanning relies on homogeneous calibration standards to produce the most accurate decoupled data. However, the use of calibration standards with impurities increases the probability of error in the reconstructed data and results in poor rock characterization. This work combines ICP-OES (inductively coupled plasma optical emission spectroscopy) and LIBS (laser induced breakdown spectroscopy) analytical techniques to quantify the type and level of impurities in a set of commercially purchased calibration standards used in dual-energy scanning. The Zeff data on the calibration standards with and without impurity data were calculated using the weighted linear combination of the various elements present and used in calculating Zeff using the dual energy technique. Results show 2 to 5% difference in predicted Zeff values which may affect the corresponding log calibrations. The effect that these techniques have on improving material identification data is discussed and analyzed. The workflow developed in this paper will translate to a more accurate material identification estimates for unknown samples and improve calibration of well logging tools.« less

Enhanced techniques for the measurement of ultra-low level (pg and fg) actinide analysis by ICP-MS for forensic and geologic applications

NASA Astrophysics Data System (ADS)

Pollington, A. D.; Kinman, W.; Hanson, S. K.

2014-12-01

Recent advances in mass spectrometry have led to an improved ability to measure high precision isotope ratios at increasingly low analyte concentrations. Combining techniques for enhanced ionization with better counting of small ion beams, we routinely measure isotope ratios on 100's of pg uranium samples and ≤10 pg plutonium samples with relative standard deviations of 1‰ on major isotope ratios and 10‰ on minor ratios achievable. With slightly larger samples (≤1 ng total U), these precisions can be as low as 0.01‰ (10 ppm) and 1‰ respectively. These techniques can be applied to both nuclear forensics questions where only a small amount of sample is available, as well as geologic questions such as U-Pb or U-Th disequilibrium geochronology from either single small crystals, or microsampled domains from within a heterogeneous sample. The analytical setup is a Cetac Aridus II desolvating nebulizer interfaced with a ThermoScientific Neptune Plus equipped with a jet-type sample cone and x-type skimmer cone. The combination of the desolvating nebulizer with the enhanced cone setup leads to an increase in sensitivity on the order of 10x that of a standard glass spray chamber (~1000V/ppm U). The Neptune Plus is equipped with 9 Faraday cups and 5 electron multipliers (two behind RPQ energy filters for improved abundance sensitivtiy). This allows for the simultaneous collection of all isotopes of either U or Pu with a combination of Faraday cups (e.g., 235U and 238U) and electron multipliers (e.g., 234U and 236U) with other configurations also available (e.g., 235U and 238U can instead be measured on electron multipliers in small samples). As sample sizes get small, the contributions from environmental blanks, as well as interfering species, become increasing concerns. In this study, we will present data on efforts to minimize the contribution of environmental U using scaled down chemical procedures as well as the effect of polyatomic species on the precision and accuracy of actinide isotope measurements and what procedures can be applied to minimize interferences.

Mass Spectrometric and Synchrotron Radiation based techniques for the identification and distribution of painting materials in samples from paints of Josep Maria Sert

PubMed Central

2012-01-01

Background Establishing the distribution of materials in paintings and that of their degradation products by imaging techniques is fundamental to understand the painting technique and can improve our knowledge on the conservation status of the painting. The combined use of chromatographic-mass spectrometric techniques, such as GC/MS or Py/GC/MS, and the chemical mapping of functional groups by imaging SR FTIR in transmission mode on thin sections and SR XRD line scans will be presented as a suitable approach to have a detailed characterisation of the materials in a paint sample, assuring their localisation in the sample build-up. This analytical approach has been used to study samples from Catalan paintings by Josep Maria Sert y Badía (20th century), a muralist achieving international recognition whose canvases adorned international buildings. Results The pigments used by the painter as well as the organic materials used as binders and varnishes could be identified by means of conventional techniques. The distribution of these materials by means of Synchrotron Radiation based techniques allowed to establish the mixtures used by the painter depending on the purpose. Conclusions Results show the suitability of the combined use of SR μFTIR and SR μXRD mapping and conventional techniques to unequivocally identify all the materials present in the sample and their localization in the sample build-up. This kind of approach becomes indispensable to solve the challenge of micro heterogeneous samples. The complementary interpretation of the data obtained with all the different techniques allowed the characterization of both organic and inorganic materials in the samples layer by layer as well as to establish the painting techniques used by Sert in the works-of-art under study. PMID:22616949

Achiral and Chiral Separations Using Micellar Electrokinetic Chromatography, Polyelectrolyte Multilayer Coatings, and Mixed Mode Separation Techniques with Molecular Micelles

PubMed Central

Luces, Candace A.; Warner, Isiah M.

2014-01-01

Mixed mode separation using a combination of micellar electrokinetic chromatography (MEKC) and polyelectrolyte multilayer (PEM) coatings is herein reported for the separation of achiral and chiral analytes. Many analytes are difficult to separate by MEKC and PEM coatings alone. Therefore, the implementation of a mixed mode separation provides several advantages for overcoming the limitations of these well-established methods. In this study, it was observed that achiral separations using MEKC and PEM coatings individually resulted in partial resolution of 8 very similar aryl ketones when the molecular micelle (sodium poly(N-undecanoyl-l-glycinate) (poly-SUG)) concentration was varied from 0.25% – 1.00% (w/v) and the bilayer number varied from 2 – 4. However, when mixed mode separation was introduced, baseline resolution was achieved for all 8 analytes. In the case of chiral separations, temazepam, aminoglutethimide, benzoin, benzoin methyl ether and coumachlor were separated using the three separation techniques. For chiral separations, the chiral molecular micelle, sodium poly(N-undecanoyl-l-leucylvalinate) (poly-l-SULV), was employed at concentrations of 0.25–1.50% (w/v) for both MEKC and PEM coatings. Overall, the results revealed partial separation with MEKC and PEM coatings individually. However, mixed mode separation enabled baseline separation of each chiral mixture. The separation of achiral and chiral compounds from different compound classes demonstrates the versatility of this mixed mode approach. PMID:20155738

High-pressure ion source combined with an in-axis ion trap mass spectrometer. 1. Instrumentation and applications

PubMed

Mathurin; Faye; Brunot; Tabet; Wells; Fuche

2000-10-15

A new combination of a dual EI/CI ion source with a quadrupole ion trap mass spectrometer has been realized in order to efficiently produce negative ions in the reaction cell. Analysis of volatile compounds was performed under negative ion chemical ionization (NICI) during a reaction period where selected reactant negative ions, previously produced in the external ion source, were allowed to interact with molecules, introduced by hyphenated techniques such as gas chromatography. The O2*-, CH3O-, and Cl- reactant ions were used in this study to ensure specific ion/molecule interactions such as proton transfer, nucleophilic displacement, or charge exchange processes, respectively leading to even-electron species, i.e., deprotonated [M - H]- molecules, diagnostic [M - R]- ions, or odd-electron M*- molecular species. The reaction orientation depends on the thermochemistry of reactions within kinetic controls. First analytical results are presented here for the trace-level detection of several contaminants under NICI/Cl- conditions. Phosphorus-containing compounds (malathion, ethyl parathion, and methyl parathion as representative for pesticides) and nitro-containing compounds (2,4,6-trinitrotoluene for explosive material) have been chosen in order to explore the analytical ability of this promising instrumental coupling.

Advances in high-resolution mass spectrometry based on metabolomics studies for food--a review.

PubMed

Rubert, Josep; Zachariasova, Milena; Hajslova, Jana

2015-01-01

Food authenticity becomes a necessity for global food policies, since food placed in the market without fail has to be authentic. It has always been a challenge, since in the past minor components, called also markers, have been mainly monitored by chromatographic methods in order to authenticate the food. Nevertheless, nowadays, advanced analytical methods have allowed food fingerprints to be achieved. At the same time they have been also combined with chemometrics, which uses statistical methods in order to verify food and to provide maximum information by analysing chemical data. These sophisticated methods based on different separation techniques or stand alone have been recently coupled to high-resolution mass spectrometry (HRMS) in order to verify the authenticity of food. The new generation of HRMS detectors have experienced significant advances in resolving power, sensitivity, robustness, extended dynamic range, easier mass calibration and tandem mass capabilities, making HRMS more attractive and useful to the food metabolomics community, therefore becoming a reliable tool for food authenticity. The purpose of this review is to summarise and describe the most recent metabolomics approaches in the area of food metabolomics, and to discuss the strengths and drawbacks of the HRMS analytical platforms combined with chemometrics.

Evaluation of cryoanalysis as a tool for analyzing elemental distribution in "live" tardigrades using micro-PIXE

NASA Astrophysics Data System (ADS)

Nilsson, E. J. C.; Pallon, J.; Przybylowicz, W. J.; Wang, Y. D.; Jönsson, K. I.

2014-08-01

Although heavy on labor and equipment, thus not often applied, cryoanalysis of frozen hydrated biological specimens can provide information that better reflects the living state of the organism, compared with analysis in the freeze-dried state. In this paper we report a study where the cryoanalysis facility with cryosectioning capabilities at Materials Research Department, iThemba LABS, South Africa was employed to evaluate the usefulness of combining three ion beam analytical methods (μPIXE, RBS and STIM) to analyze a biological target where a better elemental compositional description is needed - the tardigrade. Imaging as well as quantification results are of interest. In a previous study, the element composition and redistribution of elements in the desiccated and active states of two tardigrade species was investigated. This study included analysis of both whole and sectioned tardigrades, and the aim was to analyze each specimen twice; first frozen hydrated and later freeze-dried. The combination of the three analytical techniques proved useful: elements from C to Rb in the tardigrades could be determined and certain differences in distribution of elements between the frozen hydrated and the freeze-dried states were observed. RBS on frozen hydrated specimens provided knowledge of matrix elements.

Comparison of Measured Leakage Current Distributions with Calculated Damage Energy Distributions in HgCdTe

NASA Technical Reports Server (NTRS)

Marshall, C. J.; Ladbury, R.; Marshall, P. W.; Reed, R. A.; Howe, C.; Weller, B.; Mendenhall, M.; Waczynski, A.; Jordan, T. M.; Fodness, B.

2006-01-01

This paper presents a combined Monte Carlo and analytic approach to the calculation of the pixel-to-pixel distribution of proton-induced damage in a HgCdTe sensor array and compares the results to measured dark current distributions after damage by 63 MeV protons. The moments of the Coulombic, nuclear elastic and nuclear inelastic damage distribution were extracted from Monte Carlo simulations and combined to form a damage distribution using the analytic techniques first described in [I]. The calculations show that the high energy recoils from the nuclear inelastic reactions (calculated using the Monte Car10 code MCNPX [2]) produce a pronounced skewing of the damage energy distribution. The nuclear elastic component (also calculated using the MCNPX) has a negligible effect on the shape of the damage distribution. The Coulombic contribution was calculated using MRED [3,4], a Geant4 [4,5] application. The comparison with the dark current distribution strongly suggests that mechanisms which are not linearly correlated with nonionizing damage produced according to collision kinematics are responsible for the observed dark current increases. This has important implications for the process of predicting the on-orbit dark current response of the HgCdTe sensor array.

Does leaf chemistry differentially affect breakdown in tropical vs temperate streams? Importance of standardized analytical techniques to measure leaf chemistry

Treesearch

Marcelo Ard& #243; n; Catherine M. Pringle; Susan L. Eggert

2009-01-01

Comparisons of the effects of leaf litter chemistry on leaf breakdown rates in tropical vs temperate streams are hindered by incompatibility among studies and across sites of analytical methods used to measure leaf chemistry. We used standardized analytical techniques to measure chemistry and breakdown rate of leaves from common riparian tree species at 2 sites, 1...

Reduction of multi-dimensional laboratory data to a two-dimensional plot: a novel technique for the identification of laboratory error.

PubMed

Kazmierczak, Steven C; Leen, Todd K; Erdogmus, Deniz; Carreira-Perpinan, Miguel A

2007-01-01

The clinical laboratory generates large amounts of patient-specific data. Detection of errors that arise during pre-analytical, analytical, and post-analytical processes is difficult. We performed a pilot study, utilizing a multidimensional data reduction technique, to assess the utility of this method for identifying errors in laboratory data. We evaluated 13,670 individual patient records collected over a 2-month period from hospital inpatients and outpatients. We utilized those patient records that contained a complete set of 14 different biochemical analytes. We used two-dimensional generative topographic mapping to project the 14-dimensional record to a two-dimensional space. The use of a two-dimensional generative topographic mapping technique to plot multi-analyte patient data as a two-dimensional graph allows for the rapid identification of potentially anomalous data. Although we performed a retrospective analysis, this technique has the benefit of being able to assess laboratory-generated data in real time, allowing for the rapid identification and correction of anomalous data before they are released to the physician. In addition, serial laboratory multi-analyte data for an individual patient can also be plotted as a two-dimensional plot. This tool might also be useful for assessing patient wellbeing and prognosis.

Analytical Parameters of an Amperometric Glucose Biosensor for Fast Analysis in Food Samples.

PubMed

Artigues, Margalida; Abellà, Jordi; Colominas, Sergi

2017-11-14

Amperometric biosensors based on the use of glucose oxidase (GOx) are able to combine the robustness of electrochemical techniques with the specificity of biological recognition processes. However, very little information can be found in literature about the fundamental analytical parameters of these sensors. In this work, the analytical behavior of an amperometric biosensor based on the immobilization of GOx using a hydrogel (Chitosan) onto highly ordered titanium dioxide nanotube arrays (TiO₂NTAs) has been evaluated. The GOx-Chitosan/TiO₂NTAs biosensor showed a sensitivity of 5.46 μA·mM -1 with a linear range from 0.3 to 1.5 mM; its fundamental analytical parameters were studied using a commercial soft drink. The obtained results proved sufficient repeatability (RSD = 1.9%), reproducibility (RSD = 2.5%), accuracy (95-105% recovery), and robustness (RSD = 3.3%). Furthermore, no significant interferences from fructose, ascorbic acid and citric acid were obtained. In addition, the storage stability was further examined, after 30 days, the GOx-Chitosan/TiO₂NTAs biosensor retained 85% of its initial current response. Finally, the glucose content of different food samples was measured using the biosensor and compared with the respective HPLC value. In the worst scenario, a deviation smaller than 10% was obtained among the 20 samples evaluated.

Inter-laboratory comparison of X-ray fluorescence analyses of eruptive products of El Chichón Volcano, Chiapas, Mexico

USGS Publications Warehouse

Tilling, Robert I.; Bornhorst, Theodore J.; Taggart, Joseph E.; Rose, William I.; McGee, James J.

1987-01-01

An inter-laboratory comparison has been made of X-ray fluorescence analyses of 10 samples of lava and pumices from El Chichón Volcano, Chiapas, Mexico. Some determinations of major-element constituents agree within analytical uncertainty, whereas others exchibit significant bias. Analyses carried out at the Michigan Technological University (MTU) laboratory are systematically lower in MgO (26–48%), Fetotal(5–18%), CaO (4–15%) and higher in K2O (0–15%) than analyses made at the U.S. Geological Survey (USGS) Denver laboratory. These differences are ascribed in part to a complex combination of calibration assumptionsand mineralogical and particle-size effects inherent in the use of pressed rock-powder pellets in the analytical procedure of the MTU laboratory. Other, but as yet unknown, differences in sample preparation and/or analytical technique may also be important; effects related to natural sample inhomogeneityare believed to be insignificant. The inter-laboratory differences in the analytical data complicated accurate assessment of whether El Chichón magmas have changed composition during the past 300 000 a. Knowledge of such change is needed for understanding petrogenetic history and for such related studies as evaluation of volcanic hazards.

Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: Evaluation of first-order electrical properties

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

Datta, Dipayan, E-mail: datta@uni-mainz.de; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

2014-09-14

An analytic scheme is presented for the evaluation of first derivatives of the energy for a unitary group based spin-adapted coupled cluster (CC) theory, namely, the combinatoric open-shell CC (COSCC) approach within the singles and doubles approximation. The widely used Lagrange multiplier approach is employed for the derivation of an analytical expression for the first derivative of the energy, which in combination with the well-established density-matrix formulation, is used for the computation of first-order electrical properties. Derivations of the spin-adapted lambda equations for determining the Lagrange multipliers and the expressions for the spin-free effective density matrices for the COSCC approachmore » are presented. Orbital-relaxation effects due to the electric-field perturbation are treated via the Z-vector technique. We present calculations of the dipole moments for a number of doublet radicals in their ground states using restricted open-shell Hartree-Fock (ROHF) and quasi-restricted HF (QRHF) orbitals in order to demonstrate the applicability of our analytic scheme for computing energy derivatives. We also report calculations of the chlorine electric-field gradients and nuclear quadrupole-coupling constants for the CCl, CH{sub 2}Cl, ClO{sub 2}, and SiCl radicals.« less

Analytical Modeling of Herschel-Quincke Concept Applied to Inlet Turbofan Engines

NASA Technical Reports Server (NTRS)

Hallez, Raphael F.; Burdisso, Ricardo A.; Gerhold, Carl H. (Technical Monitor)

2002-01-01

This report summarizes the key results obtained by the Vibration and Acoustics Laboratories at Virginia Tech over the period from January 1999 to December 2000 on the project 'Investigation of an Adaptive Herschel-Quincke Tube Concept for the Reduction of Tonal and Broadband Noise from Turbofan Engines', funded by NASA Langley Research Center. The Herschel-Quincke (HQ) tube concept is a developing technique the consists of circumferential arrays of tubes around the duct. The analytical model is developed to provide prediction and design guidelines for application of the HQ concept to turbofan engine inlets. An infinite duct model is developed and used to provide insight into attenuation mechanisms and design strategies. Based on this early model, the NASA-developed TBIEM3D code is modified for the HQ system. This model allows for investigation of the HQ system combined with a passive liner.

Reliability and maintainability assessment factors for reliable fault-tolerant systems

NASA Technical Reports Server (NTRS)

Bavuso, S. J.

1984-01-01

A long term goal of the NASA Langley Research Center is the development of a reliability assessment methodology of sufficient power to enable the credible comparison of the stochastic attributes of one ultrareliable system design against others. This methodology, developed over a 10 year period, is a combined analytic and simulative technique. An analytic component is the Computer Aided Reliability Estimation capability, third generation, or simply CARE III. A simulative component is the Gate Logic Software Simulator capability, or GLOSS. The numerous factors that potentially have a degrading effect on system reliability and the ways in which these factors that are peculiar to highly reliable fault tolerant systems are accounted for in credible reliability assessments. Also presented are the modeling difficulties that result from their inclusion and the ways in which CARE III and GLOSS mitigate the intractability of the heretofore unworkable mathematics.

Unambiguous detection of nitrated explosive vapours by fluorescence quenching of dendrimer films

NASA Astrophysics Data System (ADS)

Geng, Yan; Ali, Mohammad A.; Clulow, Andrew J.; Fan, Shengqiang; Burn, Paul L.; Gentle, Ian R.; Meredith, Paul; Shaw, Paul E.

2015-09-01

Unambiguous and selective standoff (non-contact) infield detection of nitro-containing explosives and taggants is an important goal but difficult to achieve with standard analytical techniques. Oxidative fluorescence quenching is emerging as a high sensitivity method for detecting such materials but is prone to false positives--everyday items such as perfumes elicit similar responses. Here we report thin films of light-emitting dendrimers that detect vapours of explosives and taggants selectively--fluorescence quenching is not observed for a range of common interferents. Using a combination of neutron reflectometry, quartz crystal microbalance and photophysical measurements we show that the origin of the selectivity is primarily electronic and not the diffusion kinetics of the analyte or its distribution in the film. The results are a major advance in the development of sensing materials for the standoff detection of nitro-based explosive vapours, and deliver significant insights into the physical processes that govern the sensing efficacy.

Singlet oxygen-based electrosensing by molecular photosensitizers

NASA Astrophysics Data System (ADS)

Trashin, Stanislav; Rahemi, Vanoushe; Ramji, Karpagavalli; Neven, Liselotte; Gorun, Sergiu M.; de Wael, Karolien

2017-07-01

Enzyme-based electrochemical biosensors are an inspiration for the development of (bio)analytical techniques. However, the instability and reproducibility of the reactivity of enzymes, combined with the need for chemical reagents for sensing remain challenges for the construction of useful devices. Here we present a sensing strategy inspired by the advantages of enzymes and photoelectrochemical sensing, namely the integration of aerobic photocatalysis and electrochemical analysis. The photosensitizer, a bioinspired perfluorinated Zn phthalocyanine, generates singlet-oxygen from air under visible light illumination and oxidizes analytes, yielding electrochemically-detectable products while resisting the oxidizing species it produces. Compared with enzymatic detection methods, the proposed strategy uses air instead of internally added reactive reagents, features intrinsic baseline correction via on/off light switching and shows C-F bonds-type enhanced stability. It also affords selectivity imparted by the catalytic process and nano-level detection, such as 20 nM amoxicillin in μl sample volumes.

Photoacoustic spectroscopy for chemical detection

NASA Astrophysics Data System (ADS)

Holthoff, Ellen L.; Pellegrino, Paul M.

2012-06-01

The Global War on Terror has made rapid detection and identification of chemical and biological agents a priority for Military and Homeland Defense applications. Reliable real-time detection of these threats is complicated by our enemy's use of a diverse range of materials. Therefore, an adaptable platform is necessary. Photoacoustic spectroscopy (PAS) is a useful monitoring technique that is well suited for trace detection of gaseous media. This method routinely exhibits detection limits at the parts-per-billion (ppb) or sub-ppb range. The versatility of PAS also allows for the investigation of solid and liquid analytes. Current research utilizes quantum cascade lasers (QCLs) in combination with an air-coupled solid-phase photoacoustic cell design for the detection of condensed phase material films deposited on a surface. Furthermore, variation of the QCL pulse repetition rate allows for identification and molecular discrimination of analytes based solely on photoacoustic spectra collected at different film depths.

Unambiguous detection of nitrated explosive vapours by fluorescence quenching of dendrimer films.

PubMed

Geng, Yan; Ali, Mohammad A; Clulow, Andrew J; Fan, Shengqiang; Burn, Paul L; Gentle, Ian R; Meredith, Paul; Shaw, Paul E

2015-09-15

Unambiguous and selective standoff (non-contact) infield detection of nitro-containing explosives and taggants is an important goal but difficult to achieve with standard analytical techniques. Oxidative fluorescence quenching is emerging as a high sensitivity method for detecting such materials but is prone to false positives—everyday items such as perfumes elicit similar responses. Here we report thin films of light-emitting dendrimers that detect vapours of explosives and taggants selectively—fluorescence quenching is not observed for a range of common interferents. Using a combination of neutron reflectometry, quartz crystal microbalance and photophysical measurements we show that the origin of the selectivity is primarily electronic and not the diffusion kinetics of the analyte or its distribution in the film. The results are a major advance in the development of sensing materials for the standoff detection of nitro-based explosive vapours, and deliver significant insights into the physical processes that govern the sensing efficacy.

Unambiguous detection of nitrated explosive vapours by fluorescence quenching of dendrimer films

PubMed Central

Geng, Yan; Ali, Mohammad A.; Clulow, Andrew J.; Fan, Shengqiang; Burn, Paul L.; Gentle, Ian R.; Meredith, Paul; Shaw, Paul E.

2015-01-01

Unambiguous and selective standoff (non-contact) infield detection of nitro-containing explosives and taggants is an important goal but difficult to achieve with standard analytical techniques. Oxidative fluorescence quenching is emerging as a high sensitivity method for detecting such materials but is prone to false positives—everyday items such as perfumes elicit similar responses. Here we report thin films of light-emitting dendrimers that detect vapours of explosives and taggants selectively—fluorescence quenching is not observed for a range of common interferents. Using a combination of neutron reflectometry, quartz crystal microbalance and photophysical measurements we show that the origin of the selectivity is primarily electronic and not the diffusion kinetics of the analyte or its distribution in the film. The results are a major advance in the development of sensing materials for the standoff detection of nitro-based explosive vapours, and deliver significant insights into the physical processes that govern the sensing efficacy. PMID:26370931

Utilization of SABRE-derived hyperpolarization to detect low-concentration analytes via 1D and 2D NMR methods.

PubMed

Lloyd, Lyrelle S; Adams, Ralph W; Bernstein, Michael; Coombes, Steven; Duckett, Simon B; Green, Gary G R; Lewis, Richard J; Mewis, Ryan E; Sleigh, Christopher J

2012-08-08

The characterization of materials by the inherently insensitive method of NMR spectroscopy plays a vital role in chemistry. Increasingly, hyperpolarization is being used to address the sensitivity limitation. Here, by reference to quinoline, we illustrate that the SABRE hyperpolarization technique, which uses para-hydrogen as the source of polarization, enables the rapid completion of a range of NMR measurements. These include the collection of (13)C, (13)C{(1)H}, and NOE data in addition to more complex 2D COSY, ultrafast 2D COSY and 2D HMBC spectra. The observations are made possible by the use of a flow probe and external sample preparation cell to re-hyperpolarize the substrate between transients, allowing repeat measurements to be made within seconds. The potential benefit of the combination of SABRE and 2D NMR methods for rapid characterization of low-concentration analytes is therefore established.

Bounded Linear Stability Analysis - A Time Delay Margin Estimation Approach for Adaptive Control

NASA Technical Reports Server (NTRS)

Nguyen, Nhan T.; Ishihara, Abraham K.; Krishnakumar, Kalmanje Srinlvas; Bakhtiari-Nejad, Maryam

2009-01-01

This paper presents a method for estimating time delay margin for model-reference adaptive control of systems with almost linear structured uncertainty. The bounded linear stability analysis method seeks to represent the conventional model-reference adaptive law by a locally bounded linear approximation within a small time window using the comparison lemma. The locally bounded linear approximation of the combined adaptive system is cast in a form of an input-time-delay differential equation over a small time window. The time delay margin of this system represents a local stability measure and is computed analytically by a matrix measure method, which provides a simple analytical technique for estimating an upper bound of time delay margin. Based on simulation results for a scalar model-reference adaptive control system, both the bounded linear stability method and the matrix measure method are seen to provide a reasonably accurate and yet not too conservative time delay margin estimation.

Singlet oxygen-based electrosensing by molecular photosensitizers

PubMed Central

Trashin, Stanislav; Rahemi, Vanoushe; Ramji, Karpagavalli; Neven, Liselotte; Gorun, Sergiu M.; De Wael, Karolien

2017-01-01

Enzyme-based electrochemical biosensors are an inspiration for the development of (bio)analytical techniques. However, the instability and reproducibility of the reactivity of enzymes, combined with the need for chemical reagents for sensing remain challenges for the construction of useful devices. Here we present a sensing strategy inspired by the advantages of enzymes and photoelectrochemical sensing, namely the integration of aerobic photocatalysis and electrochemical analysis. The photosensitizer, a bioinspired perfluorinated Zn phthalocyanine, generates singlet-oxygen from air under visible light illumination and oxidizes analytes, yielding electrochemically-detectable products while resisting the oxidizing species it produces. Compared with enzymatic detection methods, the proposed strategy uses air instead of internally added reactive reagents, features intrinsic baseline correction via on/off light switching and shows C-F bonds-type enhanced stability. It also affords selectivity imparted by the catalytic process and nano-level detection, such as 20 nM amoxicillin in μl sample volumes.

Conformal Bootstrap in Mellin Space

NASA Astrophysics Data System (ADS)

Gopakumar, Rajesh; Kaviraj, Apratim; Sen, Kallol; Sinha, Aninda

2017-02-01

We propose a new approach towards analytically solving for the dynamical content of conformal field theories (CFTs) using the bootstrap philosophy. This combines the original bootstrap idea of Polyakov with the modern technology of the Mellin representation of CFT amplitudes. We employ exchange Witten diagrams with built-in crossing symmetry as our basic building blocks rather than the conventional conformal blocks in a particular channel. Demanding consistency with the operator product expansion (OPE) implies an infinite set of constraints on operator dimensions and OPE coefficients. We illustrate the power of this method in the ɛ expansion of the Wilson-Fisher fixed point by reproducing anomalous dimensions and, strikingly, obtaining OPE coefficients to higher orders in ɛ than currently available using other analytic techniques (including Feynman diagram calculations). Our results enable us to get a somewhat better agreement between certain observables in the 3D Ising model and the precise numerical values that have been recently obtained.

Analytical Chemistry of Surfaces: Part II. Electron Spectroscopy.

ERIC Educational Resources Information Center

Hercules, David M.; Hercules, Shirley H.

1984-01-01

Discusses two surface techniques: X-ray photoelectron spectroscopy (ESCA) and Auger electron spectroscopy (AES). Focuses on fundamental aspects of each technique, important features of instrumentation, and some examples of how ESCA and AES have been applied to analytical surface problems. (JN)

Quantitative metabolomics by H-NMR and LC-MS/MS confirms altered metabolic pathways in diabetes.

PubMed

Lanza, Ian R; Zhang, Shucha; Ward, Lawrence E; Karakelides, Helen; Raftery, Daniel; Nair, K Sreekumaran

2010-05-10

Insulin is as a major postprandial hormone with profound effects on carbohydrate, fat, and protein metabolism. In the absence of exogenous insulin, patients with type 1 diabetes exhibit a variety of metabolic abnormalities including hyperglycemia, glycosurea, accelerated ketogenesis, and muscle wasting due to increased proteolysis. We analyzed plasma from type 1 diabetic (T1D) humans during insulin treatment (I+) and acute insulin deprivation (I-) and non-diabetic participants (ND) by (1)H nuclear magnetic resonance spectroscopy and liquid chromatography-tandem mass spectrometry. The aim was to determine if this combination of analytical methods could provide information on metabolic pathways known to be altered by insulin deficiency. Multivariate statistics differentiated proton spectra from I- and I+ based on several derived plasma metabolites that were elevated during insulin deprivation (lactate, acetate, allantoin, ketones). Mass spectrometry revealed significant perturbations in levels of plasma amino acids and amino acid metabolites during insulin deprivation. Further analysis of metabolite levels measured by the two analytical techniques indicates several known metabolic pathways that are perturbed in T1D (I-) (protein synthesis and breakdown, gluconeogenesis, ketogenesis, amino acid oxidation, mitochondrial bioenergetics, and oxidative stress). This work demonstrates the promise of combining multiple analytical methods with advanced statistical methods in quantitative metabolomics research, which we have applied to the clinical situation of acute insulin deprivation in T1D to reflect the numerous metabolic pathways known to be affected by insulin deficiency.

Surface analytical characterization of Streptavidin/poly(3-hexylthiophene) bilayers for bio-electronic applications

NASA Astrophysics Data System (ADS)

Sportelli, M. C.; Picca, R. A.; Manoli, K.; Re, M.; Pesce, E.; Tapfer, L.; Di Franco, C.; Cioffi, N.; Torsi, L.

2017-10-01

The analytical performance of bioelectronic devices is highly influenced by their fabrication methods. In particular, the final architecture of field-effect transistor biosensors combining spin-cast poly(3-hexylthiophene) (P3HT) film and a biomolecule interlayer deposited on a SiO2/Si substrate can lead to the development of highly performing sensing systems, such as for the case of streptavidin (SA) used for biotin sensing. To gain a better understanding of the quality of the interfacial area, critical is the assessment of the morphological features characteristic of the adopted biolayer deposition protocol, namely: the layer-by-layer (LbL) approach and the spin coating technique. The present study relies on a combined surface spectroscopic and morphological characterization. Specifically, X-ray photoelectron spectroscopy operated in the parallel angle-resolved mode allowed the non-destructive investigation of the in-depth chemical composition of the SA film, alone or in the presence of the P3HT overlayer. Spectroscopic data were supported and corroborated by the results obtained with a Scanning Electron and a Helium Ion microscope investigation performed on the SA layer that provided relevant information on the protein structural arrangement or on its surface morphology. Clear differences emerged between the SA layers prepared by the two approaches, with the layer-by-layer deposition resulting in a smoother and better defined bio-electronic interface. Such findings support the superior analytical performance shown by bioelectronic devices based on LbL-deposited protein layers over spin coated ones.

Problem Formulation in Knowledge Discovery via Data Analytics (KDDA) for Environmental Risk Management

PubMed Central

Li, Yan; Thomas, Manoj; Osei-Bryson, Kweku-Muata; Levy, Jason

2016-01-01

With the growing popularity of data analytics and data science in the field of environmental risk management, a formalized Knowledge Discovery via Data Analytics (KDDA) process that incorporates all applicable analytical techniques for a specific environmental risk management problem is essential. In this emerging field, there is limited research dealing with the use of decision support to elicit environmental risk management (ERM) objectives and identify analytical goals from ERM decision makers. In this paper, we address problem formulation in the ERM understanding phase of the KDDA process. We build a DM3 ontology to capture ERM objectives and to inference analytical goals and associated analytical techniques. A framework to assist decision making in the problem formulation process is developed. It is shown how the ontology-based knowledge system can provide structured guidance to retrieve relevant knowledge during problem formulation. The importance of not only operationalizing the KDDA approach in a real-world environment but also evaluating the effectiveness of the proposed procedure is emphasized. We demonstrate how ontology inferencing may be used to discover analytical goals and techniques by conceptualizing Hazardous Air Pollutants (HAPs) exposure shifts based on a multilevel analysis of the level of urbanization (and related economic activity) and the degree of Socio-Economic Deprivation (SED) at the local neighborhood level. The HAPs case highlights not only the role of complexity in problem formulation but also the need for integrating data from multiple sources and the importance of employing appropriate KDDA modeling techniques. Challenges and opportunities for KDDA are summarized with an emphasis on environmental risk management and HAPs. PMID:27983713

Problem Formulation in Knowledge Discovery via Data Analytics (KDDA) for Environmental Risk Management.

PubMed

Li, Yan; Thomas, Manoj; Osei-Bryson, Kweku-Muata; Levy, Jason

2016-12-15

With the growing popularity of data analytics and data science in the field of environmental risk management, a formalized Knowledge Discovery via Data Analytics (KDDA) process that incorporates all applicable analytical techniques for a specific environmental risk management problem is essential. In this emerging field, there is limited research dealing with the use of decision support to elicit environmental risk management (ERM) objectives and identify analytical goals from ERM decision makers. In this paper, we address problem formulation in the ERM understanding phase of the KDDA process. We build a DM³ ontology to capture ERM objectives and to inference analytical goals and associated analytical techniques. A framework to assist decision making in the problem formulation process is developed. It is shown how the ontology-based knowledge system can provide structured guidance to retrieve relevant knowledge during problem formulation. The importance of not only operationalizing the KDDA approach in a real-world environment but also evaluating the effectiveness of the proposed procedure is emphasized. We demonstrate how ontology inferencing may be used to discover analytical goals and techniques by conceptualizing Hazardous Air Pollutants (HAPs) exposure shifts based on a multilevel analysis of the level of urbanization (and related economic activity) and the degree of Socio-Economic Deprivation (SED) at the local neighborhood level. The HAPs case highlights not only the role of complexity in problem formulation but also the need for integrating data from multiple sources and the importance of employing appropriate KDDA modeling techniques. Challenges and opportunities for KDDA are summarized with an emphasis on environmental risk management and HAPs.

Perspectives on making big data analytics work for oncology.

PubMed

El Naqa, Issam

2016-12-01

Oncology, with its unique combination of clinical, physical, technological, and biological data provides an ideal case study for applying big data analytics to improve cancer treatment safety and outcomes. An oncology treatment course such as chemoradiotherapy can generate a large pool of information carrying the 5Vs hallmarks of big data. This data is comprised of a heterogeneous mixture of patient demographics, radiation/chemo dosimetry, multimodality imaging features, and biological markers generated over a treatment period that can span few days to several weeks. Efforts using commercial and in-house tools are underway to facilitate data aggregation, ontology creation, sharing, visualization and varying analytics in a secure environment. However, open questions related to proper data structure representation and effective analytics tools to support oncology decision-making need to be addressed. It is recognized that oncology data constitutes a mix of structured (tabulated) and unstructured (electronic documents) that need to be processed to facilitate searching and subsequent knowledge discovery from relational or NoSQL databases. In this context, methods based on advanced analytics and image feature extraction for oncology applications will be discussed. On the other hand, the classical p (variables)≫n (samples) inference problem of statistical learning is challenged in the Big data realm and this is particularly true for oncology applications where p-omics is witnessing exponential growth while the number of cancer incidences has generally plateaued over the past 5-years leading to a quasi-linear growth in samples per patient. Within the Big data paradigm, this kind of phenomenon may yield undesirable effects such as echo chamber anomalies, Yule-Simpson reversal paradox, or misleading ghost analytics. In this work, we will present these effects as they pertain to oncology and engage small thinking methodologies to counter these effects ranging from incorporating prior knowledge, using information-theoretic techniques to modern ensemble machine learning approaches or combination of these. We will particularly discuss the pros and cons of different approaches to improve mining of big data in oncology. Copyright © 2016 Elsevier Inc. All rights reserved.

Pre-concentration technique for reduction in "Analytical instrument requirement and analysis"

NASA Astrophysics Data System (ADS)

Pal, Sangita; Singha, Mousumi; Meena, Sher Singh

2018-04-01

Availability of analytical instruments for a methodical detection of known and unknown effluents imposes a serious hindrance in qualification and quantification. Several analytical instruments such as Elemental analyzer, ICP-MS, ICP-AES, EDXRF, ion chromatography, Electro-analytical instruments which are not only expensive but also time consuming, required maintenance, damaged essential parts replacement which are of serious concern. Move over for field study and instant detection installation of these instruments are not convenient to each and every place. Therefore, technique such as pre-concentration of metal ions especially for lean stream elaborated and justified. Chelation/sequestration is the key of immobilization technique which is simple, user friendly, most effective, least expensive, time efficient; easy to carry (10g - 20g vial) to experimental field/site has been demonstrated.

Facile detection of toxic ingredients in seafood using biologically enabled photonic crystal materials

NASA Astrophysics Data System (ADS)

Kong, Xianming; Squire, Kenneth; Wang, Alan X.

2018-02-01

Surface-enhanced Raman scattering (SERS) spectroscopy has attracted considerable attention recently as a powerful detection platform in biosensing because of the wealth of inherent information ascertained about the chemical and molecular composition of a sample. However, real-world samples are often composed of many components, which renders the detection of constitutes of mixed samples very challenging for SERS sensing. Accordingly, separation techniques are needed before SERS measurements. Thin layer chromatography (TLC) is a simple, fast and costeffective technique for analyte separation and can a play pivotal role for on-site sensing. However, combining TLC with SERS is only successful to detect a limited number of analytes that have large Raman scattering cross sections. As a kind of biogenic amine, histamine (2-(4-imidazolyl)-ethylamine) has a relationship with many health problems resulting from seafood consumption occurring worldwide. Diatomaceous earth consists of fossilized remains of diatoms, a type of hard-shelled algae. As a kind of natural photonic biosilica from geological deposits, it has a variety of unique properties including highly porous structure, excellent adsorption capacity, and low cost. In addition, the two dimensional periodic pores on diatomite earth with hierarchical nanoscale photonic crystal features can enhance the localized optical field. Herein, we fabricate TLC plates from diatomite as the stationary phase combining with SERS to separate and detect histamine from seafood samples. We have proved that the diatomite on the TLC plate not only functions as stationary phase, but also provides additional Raman enhancement, in which the detection limit of 2 ppm was achieved for pyrene in mixture.

Electrochemistry in the mimicry of oxidative drug metabolism by cytochrome P450s.

PubMed

Nouri-Nigjeh, Eslam; Bischoff, Rainer; Bruins, Andries P; Permentier, Hjalmar P

2011-05-01

Prediction of oxidative drug metabolism at the early stages of drug discovery and development requires fast and accurate analytical techniques to mimic the in vivo oxidation reactions by cytochrome P450s (CYP). Direct electrochemical oxidation combined with mass spectrometry, although limited to the oxidation reactions initiated by charge transfer, has shown promise in the mimicry of certain CYP-mediated metabolic reactions. The electrochemical approach may further be utilized in an automated manner in microfluidics devices facilitating fast screening of oxidative drug metabolism. A wide range of in vivo oxidation reactions, particularly those initiated by hydrogen atom transfer, can be imitated through the electrochemically-assisted Fenton reaction. This reaction is based on O-O bond activation in hydrogen peroxide and oxidation by hydroxyl radicals, wherein electrochemistry is used for the reduction of molecular oxygen to hydrogen peroxide, as well as the reduction of Fe(3+) to Fe(2+). Metalloporphyrins, as surrogates for the prosthetic group in CYP, utilizing metallo-oxo reactive species, can also be used in combination with electrochemistry. Electrochemical reduction of metalloporphyrins in solution or immobilized on the electrode surface activates molecular oxygen in a manner analogous to the catalytical cycle of CYP and different metalloporphyrins can mimic selective oxidation reactions. Chemoselective, stereoselective, and regioselective oxidation reactions may be mimicked using electrodes that have been modified with immobilized enzymes, especially CYP itself. This review summarizes the recent attempts in utilizing electrochemistry as a versatile analytical and preparative technique in the mimicry of oxidative drug metabolism by CYP. © 2011 Bentham Science Publishers Ltd.

Analytical study into El Greco's baptism of Christ: clues to the genius of his palette

NASA Astrophysics Data System (ADS)

Daniilia, S.; Andrikopoulos, K. S.; Sotiropoulou, S.; Karapanagiotis, I.

2008-03-01

What the discerning gaze of the art historian has deduced from comparisons in style namely, that the unsigned Baptism of Christ (dated 1567) comes from the hand of the master Cretan painter, El Greco is now investigated by the dispassionate eye of technology. The examination by means of analytical methods of diagnosis aimed at making an in-depth investigation into the hitherto unknown personal traits of the artist’s painting technique. By observing the cross-sections under the optical microscope and analyzing the materials through the application of μRaman and μFTIR spectroscopies and of high performance liquid chromatography (HPCL/DAD), it was possible to reveal the “fingerprints” of the artist’s brushwork. In his masterfully executed Baptism, El Greco has succeeded through his perspicacity and ingenuity, to combine traditional techniques of Byzantine icon-painting with the innovative practices of Venetian Renaissance art. The artist’s palette contains mineral, earth and natural organic pigments, as well as some synthetic ones of glass or resin base: lapis lazuli, indigo, lead-tin yellow, orpiment, yellow ochre, cochineal lake, copper resinate, burnt umber, lead white and carbon black. Furthermore, he introduces a layer of white imprimatura containing varied combinations of powdered glass and lead white. The detection of substantial similarities between the glass varieties used in the Baptism and those found in works by Venetian painters contemporary with El Greco (such as Tintoretto) further attests ascription of the Baptism to the period of the artist’s brief sojourn in Venice.

Hybrid approach combining chemometrics and likelihood ratio framework for reporting the evidential value of spectra.

PubMed

Martyna, Agnieszka; Zadora, Grzegorz; Neocleous, Tereza; Michalska, Aleksandra; Dean, Nema

2016-08-10

Many chemometric tools are invaluable and have proven effective in data mining and substantial dimensionality reduction of highly multivariate data. This becomes vital for interpreting various physicochemical data due to rapid development of advanced analytical techniques, delivering much information in a single measurement run. This concerns especially spectra, which are frequently used as the subject of comparative analysis in e.g. forensic sciences. In the presented study the microtraces collected from the scenarios of hit-and-run accidents were analysed. Plastic containers and automotive plastics (e.g. bumpers, headlamp lenses) were subjected to Fourier transform infrared spectrometry and car paints were analysed using Raman spectroscopy. In the forensic context analytical results must be interpreted and reported according to the standards of the interpretation schemes acknowledged in forensic sciences using the likelihood ratio approach. However, for proper construction of LR models for highly multivariate data, such as spectra, chemometric tools must be employed for substantial data compression. Conversion from classical feature representation to distance representation was proposed for revealing hidden data peculiarities and linear discriminant analysis was further applied for minimising the within-sample variability while maximising the between-sample variability. Both techniques enabled substantial reduction of data dimensionality. Univariate and multivariate likelihood ratio models were proposed for such data. It was shown that the combination of chemometric tools and the likelihood ratio approach is capable of solving the comparison problem of highly multivariate and correlated data after proper extraction of the most relevant features and variance information hidden in the data structure. Copyright © 2016 Elsevier B.V. All rights reserved.

Approximate analytical relationships for linear optimal aeroelastic flight control laws

NASA Astrophysics Data System (ADS)

Kassem, Ayman Hamdy

1998-09-01

This dissertation introduces new methods to uncover functional relationships between design parameters of a contemporary control design technique and the resulting closed-loop properties. Three new methods are developed for generating such relationships through analytical expressions: the Direct Eigen-Based Technique, the Order of Magnitude Technique, and the Cost Function Imbedding Technique. Efforts concentrated on the linear-quadratic state-feedback control-design technique applied to an aeroelastic flight control task. For this specific application, simple and accurate analytical expressions for the closed-loop eigenvalues and zeros in terms of basic parameters such as stability and control derivatives, structural vibration damping and natural frequency, and cost function weights are generated. These expressions explicitly indicate how the weights augment the short period and aeroelastic modes, as well as the closed-loop zeros, and by what physical mechanism. The analytical expressions are used to address topics such as damping, nonminimum phase behavior, stability, and performance with robustness considerations, and design modifications. This type of knowledge is invaluable to the flight control designer and would be more difficult to formulate when obtained from numerical-based sensitivity analysis.

Isotope-ratio-monitoring gas chromatography-mass spectrometry: methods for isotopic calibration

NASA Technical Reports Server (NTRS)

Merritt, D. A.; Brand, W. A.; Hayes, J. M.

1994-01-01

In trial analyses of a series of n-alkanes, precise determinations of 13C contents were based on isotopic standards introduced by five different techniques and results were compared. Specifically, organic-compound standards were coinjected with the analytes and carried through chromatography and combustion with them; or CO2 was supplied from a conventional inlet and mixed with the analyte in the ion source, or CO2 was supplied from an auxiliary mixing volume and transmitted to the source without interruption of the analyte stream. Additionally, two techniques were investigated in which the analyte stream was diverted and CO2 standards were placed on a near-zero background. All methods provided accurate results. Where applicable, methods not involving interruption of the analyte stream provided the highest performance (sigma = 0.00006 at.% 13C or 0.06% for 250 pmol C as CO2 reaching the ion source), but great care was required. Techniques involving diversion of the analyte stream were immune to interference from coeluting sample components and still provided high precision (0.0001 < or = sigma < or = 0.0002 at.% or 0.1 < or = sigma < or = 0.2%).

Search for life on Mars: Evaluation of techniques

NASA Technical Reports Server (NTRS)

Schwartz, D. E.; Mancinelli, R. L.; White, M. R.

1995-01-01

An important question for exobiology is, did life evolve on Mars? To answer this question, experiments must be conducted on the martian surface. Given current mission constraints on mass, power, and volume, these experiments can only be performed using proposed analytical techniques such as: electron microscopy, X-ray fluorescence, X-ray diffraction, a-proton backscatter, g-ray spectrometry, differential thermal analysis, differential scanning calorimetry, pyrolysis gas chromatography, mass spectrometry, and specific element detectors. Using prepared test samples consisting of 1% organic matter (bovine serum albumin) in palagonite and a mixture of palagonite, clays, iron oxides, and evaporites, it was determined that a combination of X-ray diffraction and differential thermal analysis coupled with gas chromatography provides the best insight into the chemistry, mineralogy, and geological history of the samples.

Space charge effects in ultrafast electron diffraction and imaging

NASA Astrophysics Data System (ADS)

Tao, Zhensheng; Zhang, He; Duxbury, P. M.; Berz, Martin; Ruan, Chong-Yu

2012-02-01

Understanding space charge effects is central for the development of high-brightness ultrafast electron diffraction and microscopy techniques for imaging material transformation with atomic scale detail at the fs to ps timescales. We present methods and results for direct ultrafast photoelectron beam characterization employing a shadow projection imaging technique to investigate the generation of ultrafast, non-uniform, intense photoelectron pulses in a dc photo-gun geometry. Combined with N-particle simulations and an analytical Gaussian model, we elucidate three essential space-charge-led features: the pulse lengthening following a power-law scaling, the broadening of the initial energy distribution, and the virtual cathode threshold. The impacts of these space charge effects on the performance of the next generation high-brightness ultrafast electron diffraction and imaging systems are evaluated.

Search for life on Mars: evaluation of techniques.

PubMed

Schwartz, D E; Mancinelli, R L; White, M R

1995-03-01

An important question for exobiology is, did life evolve on Mars? To answer this question, experiments must be conducted on the martian surface. Given current mission constraints on mass, power, and volume, these experiments can only be performed using proposed analytical techniques such as: electron microscopy, X-ray fluorescence, X-ray diffraction, alpha-proton backscatter, gamma-ray spectrometry, differential thermal analysis, differential scanning calorimetry, pyrolysis gas chromatography, mass spectrometry, and specific element detectors. Using prepared test samples consisting of 1% organic matter (bovine serum albumin) in palagonite and a mixture of palagonite, clays, iron oxides, and evaporites, it was determined that a combination of X-ray diffraction and differential thermal analysis coupled with gas chromatography provides the best insight into the chemistry, mineralogy, and geological history of the samples.

Use of Laser-Induced Breakdown Spectroscopy for the Detection of Glycemic Elements in Indian Medicinal Plants

PubMed Central

Rai, Prashant Kumar; Srivastava, Amrita Kumari; Sharma, Bechan; Dhar, Preeti; Mishra, Ajay Kumar; Watal, Geeta

2013-01-01

The demand for interdisciplinary research is increasing in the new millennium to help us understand complex problems and find solutions by integrating the knowledge from different disciplines. The present review is an excellent example of this and shows how unique combination of physics, chemistry, and biological techniques can be used for the evaluation of Indian medicinal herbs used for treating diabetes mellitus. Laser-induced breakdown spectroscopy (LIBS) is a sensitive optical technique that is widely used for its simplicity and versatility. This review presents the most recent application of LIBS for detection of glycemic elements in medicinal plants. The characteristics of matrices, object analysis, use of laser system, and analytical performances with respect to Indian herbs are discussed. PMID:24228060

Elemental and isotopic imaging of biological samples using NanoSIMS.

PubMed

Kilburn, Matt R; Clode, Peta L

2014-01-01

With its low detection limits and the ability to analyze most of the elements in the periodic table, secondary ion mass spectrometry (SIMS) represents one of the most versatile in situ analytical techniques available, and recent developments have resulted in significant advantages for the use of imaging mass spectrometry in biological and biomedical research. Increases in spatial resolution and sensitivity allow detailed interrogation of samples at relevant scales and chemical concentrations. Advances in dynamic SIMS, specifically with the advent of NanoSIMS, now allow the tracking of stable isotopes within biological systems at subcellular length scales, while static SIMS combines subcellular imaging with molecular identification. In this chapter, we present an introduction to the SIMS technique, with particular reference to NanoSIMS, and discuss its application in biological and biomedical research.

Advancing statistical analysis of ambulatory assessment data in the study of addictive behavior: A primer on three person-oriented techniques.

PubMed

Foster, Katherine T; Beltz, Adriene M

2018-08-01

Ambulatory assessment (AA) methodologies have the potential to increase understanding and treatment of addictive behavior in seemingly unprecedented ways, due in part, to their emphasis on intensive repeated assessments of an individual's addictive behavior in context. But, many analytic techniques traditionally applied to AA data - techniques that average across people and time - do not fully leverage this potential. In an effort to take advantage of the individualized, temporal nature of AA data on addictive behavior, the current paper considers three underutilized person-oriented analytic techniques: multilevel modeling, p-technique, and group iterative multiple model estimation. After reviewing prevailing analytic techniques, each person-oriented technique is presented, AA data specifications are mentioned, an example analysis using generated data is provided, and advantages and limitations are discussed; the paper closes with a brief comparison across techniques. Increasing use of person-oriented techniques will substantially enhance inferences that can be drawn from AA data on addictive behavior and has implications for the development of individualized interventions. Copyright © 2017. Published by Elsevier Ltd.

Evaluation Applied to Reliability Analysis of Reconfigurable, Highly Reliable, Fault-Tolerant, Computing Systems for Avionics

NASA Technical Reports Server (NTRS)

Migneault, G. E.

1979-01-01

Emulation techniques are proposed as a solution to a difficulty arising in the analysis of the reliability of highly reliable computer systems for future commercial aircraft. The difficulty, viz., the lack of credible precision in reliability estimates obtained by analytical modeling techniques are established. The difficulty is shown to be an unavoidable consequence of: (1) a high reliability requirement so demanding as to make system evaluation by use testing infeasible, (2) a complex system design technique, fault tolerance, (3) system reliability dominated by errors due to flaws in the system definition, and (4) elaborate analytical modeling techniques whose precision outputs are quite sensitive to errors of approximation in their input data. The technique of emulation is described, indicating how its input is a simple description of the logical structure of a system and its output is the consequent behavior. The use of emulation techniques is discussed for pseudo-testing systems to evaluate bounds on the parameter values needed for the analytical techniques.

Direct Analysis of Samples of Various Origin and Composition Using Specific Types of Mass Spectrometry.

PubMed

Byliński, Hubert; Gębicki, Jacek; Dymerski, Tomasz; Namieśnik, Jacek

2017-07-04

One of the major sources of error that occur during chemical analysis utilizing the more conventional and established analytical techniques is the possibility of losing part of the analytes during the sample preparation stage. Unfortunately, this sample preparation stage is required to improve analytical sensitivity and precision. Direct techniques have helped to shorten or even bypass the sample preparation stage; and in this review, we comment of some of the new direct techniques that are mass-spectrometry based. The study presents information about the measurement techniques using mass spectrometry, which allow direct sample analysis, without sample preparation or limiting some pre-concentration steps. MALDI - MS, PTR - MS, SIFT - MS, DESI - MS techniques are discussed. These solutions have numerous applications in different fields of human activity due to their interesting properties. The advantages and disadvantages of these techniques are presented. The trends in development of direct analysis using the aforementioned techniques are also presented.

Common aspects influencing the translocation of SERS to Biomedicine.

PubMed

Gil, Pilar Rivera; Tsouts, Dionysia; Sanles-Sobrido, Marcos; Cabo, Andreu

2018-01-04

In this review, we introduce the reader the analytical technique, surface-enhanced Raman scattering motivated by the great potential we believe this technique have in biomedicine. We present the advantages and limitations of this technique relevant for bioanalysis in vitro and in vivo and how this technique goes beyond the state of the art of traditional analytical, labelling and healthcare diagnosis technologies. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Analytical applications of microbial fuel cells. Part II: Toxicity, microbial activity and quantification, single analyte detection and other uses.

PubMed

Abrevaya, Ximena C; Sacco, Natalia J; Bonetto, Maria C; Hilding-Ohlsson, Astrid; Cortón, Eduardo

2015-01-15

Microbial fuel cells were rediscovered twenty years ago and now are a very active research area. The reasons behind this new activity are the relatively recent discovery of electrogenic or electroactive bacteria and the vision of two important practical applications, as wastewater treatment coupled with clean energy production and power supply systems for isolated low-power sensor devices. Although some analytical applications of MFCs were proposed earlier (as biochemical oxygen demand sensing) only lately a myriad of new uses of this technology are being presented by research groups around the world, which combine both biological-microbiological and electroanalytical expertises. This is the second part of a review of MFC applications in the area of analytical sciences. In Part I a general introduction to biological-based analytical methods including bioassays, biosensors, MFCs design, operating principles, as well as, perhaps the main and earlier presented application, the use as a BOD sensor was reviewed. In Part II, other proposed uses are presented and discussed. As other microbially based analytical systems, MFCs are satisfactory systems to measure and integrate complex parameters that are difficult or impossible to measure otherwise, such as water toxicity (where the toxic effect to aquatic organisms needed to be integrated). We explore here the methods proposed to measure toxicity, microbial metabolism, and, being of special interest to space exploration, life sensors. Also, some methods with higher specificity, proposed to detect a single analyte, are presented. Different possibilities to increase selectivity and sensitivity, by using molecular biology or other modern techniques are also discussed here. Copyright © 2014 Elsevier B.V. All rights reserved.

Light aircraft crash safety program

NASA Technical Reports Server (NTRS)

Thomson, R. G.; Hayduk, R. J.

1974-01-01

NASA is embarked upon research and development tasks aimed at providing the general aviation industry with a reliable crashworthy airframe design technology. The goals of the NASA program are: reliable analytical techniques for predicting the nonlinear behavior of structures; significant design improvements of airframes; and simulated full-scale crash test data. The analytical tools will include both simplified procedures for estimating energy absorption characteristics and more complex computer programs for analysis of general airframe structures under crash loading conditions. The analytical techniques being developed both in-house and under contract are described, and a comparison of some analytical predictions with experimental results is shown.

Linearized image reconstruction method for ultrasound modulated electrical impedance tomography based on power density distribution

NASA Astrophysics Data System (ADS)

Song, Xizi; Xu, Yanbin; Dong, Feng

2017-04-01

Electrical resistance tomography (ERT) is a promising measurement technique with important industrial and clinical applications. However, with limited effective measurements, it suffers from poor spatial resolution due to the ill-posedness of the inverse problem. Recently, there has been an increasing research interest in hybrid imaging techniques, utilizing couplings of physical modalities, because these techniques obtain much more effective measurement information and promise high resolution. Ultrasound modulated electrical impedance tomography (UMEIT) is one of the newly developed hybrid imaging techniques, which combines electric and acoustic modalities. A linearized image reconstruction method based on power density is proposed for UMEIT. The interior data, power density distribution, is adopted to reconstruct the conductivity distribution with the proposed image reconstruction method. At the same time, relating the power density change to the change in conductivity, the Jacobian matrix is employed to make the nonlinear problem into a linear one. The analytic formulation of this Jacobian matrix is derived and its effectiveness is also verified. In addition, different excitation patterns are tested and analyzed, and opposite excitation provides the best performance with the proposed method. Also, multiple power density distributions are combined to implement image reconstruction. Finally, image reconstruction is implemented with the linear back-projection (LBP) algorithm. Compared with ERT, with the proposed image reconstruction method, UMEIT can produce reconstructed images with higher quality and better quantitative evaluation results.

Multidimensional NMR approaches towards highly resolved, sensitive and high-throughput quantitative metabolomics.

PubMed

Marchand, Jérémy; Martineau, Estelle; Guitton, Yann; Dervilly-Pinel, Gaud; Giraudeau, Patrick

2017-02-01

Multi-dimensional NMR is an appealing approach for dealing with the challenging complexity of biological samples in metabolomics. This article describes how spectroscopists have recently challenged their imagination in order to make 2D NMR a powerful tool for quantitative metabolomics, based on innovative pulse sequences combined with meticulous analytical chemistry approaches. Clever time-saving strategies have also been explored to make 2D NMR a high-throughput tool for metabolomics, relying on alternative data acquisition schemes such as ultrafast NMR. Currently, much work is aimed at drastically boosting the NMR sensitivity thanks to hyperpolarisation techniques, which have been used in combination with fast acquisition methods and could greatly expand the application potential of NMR metabolomics. Copyright © 2016 Elsevier Ltd. All rights reserved.

Combined mechanical loading of composite tubes

NASA Technical Reports Server (NTRS)

Derstine, Mark S.; Pindera, Marek-Jerzy; Bowles, David E.

1988-01-01

An analytical/experimental investigation was performed to study the effect of material nonlinearities on the response of composite tubes subjected to combined axial and torsional loading. The effect of residual stresses on subsequent mechanical response was included in the investigation. Experiments were performed on P75/934 graphite-epoxy tubes with a stacking sequence of (15/0/ + or - 10/0/ -15), using pure torsion and combined axial/torsional loading. In the presence of residual stresses, the analytical model predicted a reduction in the initial shear modulus. Experimentally, coupling between axial loading and shear strain was observed in laminated tubes under combined loading. The phenomenon was predicted by the nonlinear analytical model. The experimentally observed linear limit of the global shear response was found to correspond to the analytically predicted first ply failure. Further, the failure of the tubes was found to be path dependent above a critical load level.

Surface-Enhanced Raman Spectroscopy.

ERIC Educational Resources Information Center

Garrell, Robin L.

1989-01-01

Reviews the basis for the technique and its experimental requirements. Describes a few examples of the analytical problems to which surface-enhanced Raman spectroscopy (SERS) has been and can be applied. Provides a perspective on the current limitations and frontiers in developing SERS as an analytical technique. (MVL)

Arsenic, Antimony, Chromium, and Thallium Speciation in Water and Sediment Samples with the LC-ICP-MS Technique

PubMed Central

Jabłońska-Czapla, Magdalena

2015-01-01

Chemical speciation is a very important subject in the environmental protection, toxicology, and chemical analytics due to the fact that toxicity, availability, and reactivity of trace elements depend on the chemical forms in which these elements occur. Research on low analyte levels, particularly in complex matrix samples, requires more and more advanced and sophisticated analytical methods and techniques. The latest trends in this field concern the so-called hyphenated techniques. Arsenic, antimony, chromium, and (underestimated) thallium attract the closest attention of toxicologists and analysts. The properties of those elements depend on the oxidation state in which they occur. The aim of the following paper is to answer the question why the speciation analytics is so important. The paper also provides numerous examples of the hyphenated technique usage (e.g., the LC-ICP-MS application in the speciation analysis of chromium, antimony, arsenic, or thallium in water and bottom sediment samples). An important issue addressed is the preparation of environmental samples for speciation analysis. PMID:25873962

A Critical Review on Clinical Application of Separation Techniques for Selective Recognition of Uracil and 5-Fluorouracil.

PubMed

Pandey, Khushaboo; Dubey, Rama Shankar; Prasad, Bhim Bali

2016-03-01

The most important objectives that are frequently found in bio-analytical chemistry involve applying tools to relevant medical/biological problems and refining these applications. Developing a reliable sample preparation step, for the medical and biological fields is another primary objective in analytical chemistry, in order to extract and isolate the analytes of interest from complex biological matrices. Since, main inborn errors of metabolism (IEM) diagnosable through uracil analysis and the therapeutic monitoring of toxic 5-fluoruracil (an important anti-cancerous drug) in dihydropyrimidine dehydrogenase deficient patients, require an ultra-sensitive, reproducible, selective, and accurate analytical techniques for their measurements. Therefore, keeping in view, the diagnostic value of uracil and 5-fluoruracil measurements, this article refines several analytical techniques involved in selective recognition and quantification of uracil and 5-fluoruracil from biological and pharmaceutical samples. The prospective study revealed that implementation of molecularly imprinted polymer as a solid-phase material for sample preparation and preconcentration of uracil and 5-fluoruracil had proven to be effective as it could obviates problems related to tedious separation techniques, owing to protein binding and drastic interferences, from the complex matrices in real samples such as blood plasma, serum samples.

Adaptive steganography

NASA Astrophysics Data System (ADS)

Chandramouli, Rajarathnam; Li, Grace; Memon, Nasir D.

2002-04-01

Steganalysis techniques attempt to differentiate between stego-objects and cover-objects. In recent work we developed an explicit analytic upper bound for the steganographic capacity of LSB based steganographic techniques for a given false probability of detection. In this paper we look at adaptive steganographic techniques. Adaptive steganographic techniques take explicit steps to escape detection. We explore different techniques that can be used to adapt message embedding to the image content or to a known steganalysis technique. We investigate the advantages of adaptive steganography within an analytical framework. We also give experimental results with a state-of-the-art steganalysis technique demonstrating that adaptive embedding results in a significant number of bits embedded without detection.

WHAEM: PROGRAM DOCUMENTATION FOR THE WELLHEAD ANALYTIC ELEMENT MODEL

EPA Science Inventory

The Wellhead Analytic Element Model (WhAEM) demonstrates a new technique for the definition of time-of-travel capture zones in relatively simple geohydrologic settings. he WhAEM package includes an analytic element model that uses superposition of (many) analytic solutions to gen...

Comparison of ITRF2014 station coordinate input time series of DORIS, VLBI and GNSS

NASA Astrophysics Data System (ADS)

Tornatore, Vincenza; Tanır Kayıkçı, Emine; Roggero, Marco

2016-12-01

In this paper station coordinate time series from three space geodesy techniques that have contributed to the realization of the International Terrestrial Reference Frame 2014 (ITRF2014) are compared. In particular the height component time series extracted from official combined intra-technique solutions submitted for ITRF2014 by DORIS, VLBI and GNSS Combination Centers have been investigated. The main goal of this study is to assess the level of agreement among these three space geodetic techniques. A novel analytic method, modeling time series as discrete-time Markov processes, is presented and applied to the compared time series. The analysis method has proven to be particularly suited to obtain quasi-cyclostationary residuals which are an important property to carry out a reliable harmonic analysis. We looked for common signatures among the three techniques. Frequencies and amplitudes of the detected signals have been reported along with their percentage of incidence. Our comparison shows that two of the estimated signals, having one-year and 14 days periods, are common to all the techniques. Different hypotheses on the nature of the signal having a period of 14 days are presented. As a final check we have compared the estimated velocities and their standard deviations (STD) for the sites that co-located the VLBI, GNSS and DORIS stations, obtaining a good agreement among the three techniques both in the horizontal (1.0 mm/yr mean STD) and in the vertical (0.7 mm/yr mean STD) component, although some sites show larger STDs, mainly due to lack of data, different data spans or noisy observations.

Transient excitation and mechanical admittance test techniques for prediction of payload vibration environments

NASA Technical Reports Server (NTRS)

Kana, D. D.; Vargas, L. M.

1977-01-01

Transient excitation forces were applied separately to simple beam-and-mass launch vehicle and payload models to develop complex admittance functions for the interface and other appropriate points on the structures. These measured admittances were then analytically combined by a matrix representation to obtain a description of the coupled system dynamic characteristics. Response of the payload model to excitation of the launch vehicle model was predicted and compared with results measured on the combined models. These results are also compared with results of earlier work in which a similar procedure was employed except that steady-state sinusoidal excitation techniques were included. It is found that the method employing transient tests produces results that are better overall than the steady state methods. Furthermore, the transient method requires far less time to implement, and provides far better resolution in the data. However, the data acquisition and handling problem is more complex for this method. It is concluded that the transient test and admittance matrix prediction method can be a valuable tool for development of payload vibration tests.

Spatial effect of new municipal solid waste landfill siting using different guidelines.

PubMed

Ahmad, Siti Zubaidah; Ahamad, Mohd Sanusi S; Yusoff, Mohd Suffian

2014-01-01

Proper implementation of landfill siting with the right regulations and constraints can prevent undesirable long-term effects. Different countries have respective guidelines on criteria for new landfill sites. In this article, we perform a comparative study of municipal solid waste landfill siting criteria stated in the policies and guidelines of eight different constitutional bodies from Malaysia, Australia, India, U.S.A., Europe, China and the Middle East, and the World Bank. Subsequently, a geographic information system (GIS) multi-criteria evaluation model was applied to determine new suitable landfill sites using different criterion parameters using a constraint mapping technique and weighted linear combination. Application of Macro Modeler provided in the GIS-IDRISI Andes software helps in building and executing multi-step models. In addition, the analytic hierarchy process technique was included to determine the criterion weight of the decision maker's preferences as part of the weighted linear combination procedure. The differences in spatial results of suitable sites obtained signifies that dissimilarity in guideline specifications and requirements will have an effect on the decision-making process.

Investigation of saponification for determination of polychlorinated biphenyls in marine sediments.

PubMed

Numata, Masahiko; Yarita, Takashi; Aoyagi, Yoshie; Yamazaki, Misako; Takatsu, Akiko

2005-02-01

The effects of saponification conditions (temperature and water content of saponifying solution) on the determination of chlorinated biphenyls (CBs) in marine sediments were investigated. Although highly chlorinated biphenyls (nona- to deca-CBs) decomposed during high-temperature saponification, the degree of degradation was reduced by adding water to the ethanolic potassium hydroxide saponifying solution. Room-temperature saponification yielded quantitative recovery of highly chlorinated biphenyl surrogates but low extraction efficiencies of lightly chlorinated biphenyls (mono- to di-CBs). The same samples were analyzed by other extraction techniques, for example, pressurized liquid extraction, and analytical results were compared. The mono- and di-CB concentrations were correlated with the extraction temperatures of various extraction techniques. In particular, the concentrations of some CB congeners (CB11, CB14) were higher with saponification. The low degree of degradation of highly chlorinated biphenyls and the high recovery of lightly chlorinated biphenyls were compatible when room-temperature and high-temperature saponification were combined. Except for the anomalies of CB11 and CB14, the combined method gave satisfactory results for analysis of PCBs.

Analysis of Colonial Currency

NASA Astrophysics Data System (ADS)

Kurkowski, Michael; Cangany, Catherine; Jordan, Louis; Manukyan, Khachatur; Schultz, Zachary; Wiescher, Michael

2017-09-01

This project entailed studying the cellulose in paper, the ink, colorants, and other materials used to produce American colonial currency. The technique primarily used in this project was X-Ray Fluorescence Spectroscopy (XRF). XRF mapping was used to provide both elemental analysis of large-scale objects as well as microscopic examination of individual pigment particles in ink, in addition to the inorganic additives used to prepare paper. The combination of elemental mapping with Fourier Transform Infrared (FTIR) and Raman Spectroscopies permits an efficient analysis of the currency. These spectroscopic methods help identify the molecular composition of the pigments. This combination of atomic and molecular analytical techniques provided an in-depth characterization of the paper currency on the macro, micro, and molecular levels. We have identified several of pigments that were used in the preparation of inks and colorants. Also, different inorganic crystals, such as alumina-silicates, have been detected in different papers. The FTIR spectroscopy allowed us to determine the type of cellulose fiber used in the production of paper currency. Our future research will be directed toward revealing important historical relationships between currencies printed throughout the colonies. ISLA Da Vinci Grant.

Identification of illicit drugs by a combination of liquid chromatography and surface-enhanced Raman scattering spectroscopy

NASA Astrophysics Data System (ADS)

Sägmüller, Bernd; Schwarze, Bernd; Brehm, Georg; Trachta, Gerd; Schneider, Siegfried

2003-12-01

We have developed a new analysis procedure based upon High-Performance Liquid Chromatography (HPLC) in combination with surface-enhanced Raman scattering (SERS) spectroscopy as detection technique to meet todays need for an additional unique and reliable identification method of the ingredients of illicitly sold drugs or other pharmaceutical compounds. Separation of the individual components of a sample was preferentially achieved by employing an acetonitrile free eluent. The fractions of interest were collected as microliter volumes in the wells of a microtiter plate, which contained a home-made, matrix-stabilized silver halide dispersion. The latter functions as the precursor for the SERS-active surface generated by the probing laser beam. The limits of detection can be as low as 1 μg of analyte per one well of the microtiter plate. The recorded SERS spectra of the drugs Cocaine, Heroine and Amphetamine or the pharmaceuticals (Nor-) Papaverine and Procaine promise the possibility of a unique identification, especially if compared with the spectra of reference samples, and, therefore, can support the conclusions drawn by other identification techniques, if requested for example during a law suit.

FEA of the clinching process of short fiber reinforced thermoplastic with an aluminum sheet using LS-DYNA

NASA Astrophysics Data System (ADS)

Behrens, B.-A.; Bouguecha, A.; Vucetic, M.; Grbic, N.

2016-10-01

A structural concept in multi-material design is used in the automotive industry with the aim of achieving significant weight reductions of conventional car bodies. In this respect, the use of aluminum and short fiber reinforced plastics represents an interesting material combination. A wide acceptance of such a material combination requires a suitable joining technique. Among different joining techniques, clinching represents one of the most appealing alternative for automotive applications. This contribution deals with the FE simulation of the clinching process of two representative materials PA6GF30 and EN AW 5754 using the FE software LS-DYNA. With regard to the material modelling of the aluminum sheet, an isotropic material model based on the von Mises plasticity implemented in LS-DYNA was chosen. Analogous to aluminum, the same material model is used for modelling the short fiber reinforced thermoplastic. Additionally, a semi-analytical model for polymers (SAMP-1) also available in LS-DYNA was taken. Finally, the FEA of clinching process is carried out and the comparison of the simulation results is presented above.

Multi-Intelligence Analytics for Next Generation Analysts (MIAGA)

NASA Astrophysics Data System (ADS)

Blasch, Erik; Waltz, Ed

2016-05-01

Current analysts are inundated with large volumes of data from which extraction, exploitation, and indexing are required. A future need for next-generation analysts is an appropriate balance between machine analytics from raw data and the ability of the user to interact with information through automation. Many quantitative intelligence tools and techniques have been developed which are examined towards matching analyst opportunities with recent technical trends such as big data, access to information, and visualization. The concepts and techniques summarized are derived from discussions with real analysts, documented trends of technical developments, and methods to engage future analysts with multiintelligence services. For example, qualitative techniques should be matched against physical, cognitive, and contextual quantitative analytics for intelligence reporting. Future trends include enabling knowledge search, collaborative situational sharing, and agile support for empirical decision-making and analytical reasoning.

Resonance Ionization, Mass Spectrometry.

ERIC Educational Resources Information Center

Young, J. P.; And Others

1989-01-01

Discussed is an analytical technique that uses photons from lasers to resonantly excite an electron from some initial state of a gaseous atom through various excited states of the atom or molecule. Described are the apparatus, some analytical applications, and the precision and accuracy of the technique. Lists 26 references. (CW)

Meta-Analytic Structural Equation Modeling (MASEM): Comparison of the Multivariate Methods

ERIC Educational Resources Information Center

Zhang, Ying

2011-01-01

Meta-analytic Structural Equation Modeling (MASEM) has drawn interest from many researchers recently. In doing MASEM, researchers usually first synthesize correlation matrices across studies using meta-analysis techniques and then analyze the pooled correlation matrix using structural equation modeling techniques. Several multivariate methods of…

An initial investigation into methods of computing transonic aerodynamic sensitivity coefficients

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1994-01-01

The primary accomplishments of the project are as follows: (1) Using the transonic small perturbation equation as a flowfield model, the project demonstrated that the quasi-analytical method could be used to obtain aerodynamic sensitivity coefficients for airfoils at subsonic, transonic, and supersonic conditions for design variables such as Mach number, airfoil thickness, maximum camber, angle of attack, and location of maximum camber. It was established that the quasi-analytical approach was an accurate method for obtaining aerodynamic sensitivity derivatives for airfoils at transonic conditions and usually more efficient than the finite difference approach. (2) The usage of symbolic manipulation software to determine the appropriate expressions and computer coding associated with the quasi-analytical method for sensitivity derivatives was investigated. Using the three dimensional fully conservative full potential flowfield model, it was determined that symbolic manipulation along with a chain rule approach was extremely useful in developing a combined flowfield and quasi-analytical sensitivity derivative code capable of considering a large number of realistic design variables. (3) Using the three dimensional fully conservative full potential flowfield model, the quasi-analytical method was applied to swept wings (i.e. three dimensional) at transonic flow conditions. (4) The incremental iterative technique has been applied to the three dimensional transonic nonlinear small perturbation flowfield formulation, an equivalent plate deflection model, and the associated aerodynamic and structural discipline sensitivity equations; and coupled aeroelastic results for an aspect ratio three wing in transonic flow have been obtained.

Development Of Antibody-Based Fiber-Optic Sensors

NASA Astrophysics Data System (ADS)

Tromberg, Bruce J.; Sepaniak, Michael J.; Vo-Dinh, Tuan

1988-06-01

The speed and specificity characteristic of immunochemical complex formation has encouraged the development of numerous antibody-based analytical techniques. The scope and versatility of these established methods can be enhanced by combining the principles of conventional immunoassay with laser-based fiber-optic fluorimetry. This merger of spectroscopy and immunochemistry provides the framework for the construction of highly sensitive and selective fiber-optic devices (fluoroimmuno-sensors) capable of in-situ detection of drugs, toxins, and naturally occurring biochemicals. Fluoroimmuno-sensors (FIS) employ an immobilized reagent phase at the sampling terminus of a single quartz optical fiber. Laser excitation of antibody-bound analyte produces a fluorescence signal which is either directly proportional (as in the case of natural fluorophor and "antibody sandwich" assays) or inversely proportional (as in the case of competitive-binding assays) to analyte concentration. Factors which influence analysis time, precision, linearity, and detection limits include the nature (solid or liquid) and amount of the reagent phase, the method of analyte delivery (passive diffusion, convection, etc.), and whether equilibrium or non-equilibrium assays are performed. Data will be presented for optical fibers whose sensing termini utilize: (1) covalently-bound solid antibody reagent phases, and (2) membrane-entrapped liquid antibody reagents. Assays for large-molecular weight proteins (antigens) and small-molecular weight, carcinogenic, polynuclear aromatics (haptens) will be considered. In this manner, the influence of a system's chemical characteristics and measurement requirements on sensor design, and the consequence of various sensor designs on analytical performance will be illustrated.

Turbine blade tip durability analysis

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Laflen, J. H.; Spamer, G. T.

1981-01-01

An air-cooled turbine blade from an aircraft gas turbine engine chosen for its history of cracking was subjected to advanced analytical and life-prediction techniques. The utility of advanced structural analysis techniques and advanced life-prediction techniques in the life assessment of hot section components are verified. Three dimensional heat transfer and stress analyses were applied to the turbine blade mission cycle and the results were input into advanced life-prediction theories. Shortcut analytical techniques were developed. The proposed life-prediction theories are evaluated.

Analytical Challenges in Biotechnology.

ERIC Educational Resources Information Center

Glajch, Joseph L.

1986-01-01

Highlights five major analytical areas (electrophoresis, immunoassay, chromatographic separations, protein and DNA sequencing, and molecular structures determination) and discusses how analytical chemistry could further improve these techniques and thereby have a major impact on biotechnology. (JN)

An analytical and experimental evaluation of a Fresnel lens solar concentrator

NASA Technical Reports Server (NTRS)

Hastings, L. J.; Allums, S. A.; Cosby, R. M.

1976-01-01

An analytical and experimental evaluation of line focusing Fresnel lenses with application potential in the 200 to 370 C range was studied. Analytical techniques were formulated to assess the solar transmission and imaging properties of a grooves down lens. Experimentation was based on a 56 cm wide, f/1.0 lens. A Sun tracking heliostat provided a nonmoving solar source. Measured data indicated more spreading at the profile base than analytically predicted, resulting in a peak concentration 18 percent lower than the computed peak of 57. The measured and computed transmittances were 85 and 87 percent, respectively. Preliminary testing with a subsequent lens indicated that modified manufacturing techniques corrected the profile spreading problem and should enable improved analytical experimental correlation.

Deriving Earth Science Data Analytics Requirements

NASA Technical Reports Server (NTRS)

Kempler, Steven J.

2015-01-01

Data Analytics applications have made successful strides in the business world where co-analyzing extremely large sets of independent variables have proven profitable. Today, most data analytics tools and techniques, sometimes applicable to Earth science, have targeted the business industry. In fact, the literature is nearly absent of discussion about Earth science data analytics. Earth science data analytics (ESDA) is the process of examining large amounts of data from a variety of sources to uncover hidden patterns, unknown correlations, and other useful information. ESDA is most often applied to data preparation, data reduction, and data analysis. Co-analysis of increasing number and volume of Earth science data has become more prevalent ushered by the plethora of Earth science data sources generated by US programs, international programs, field experiments, ground stations, and citizen scientists.Through work associated with the Earth Science Information Partners (ESIP) Federation, ESDA types have been defined in terms of data analytics end goals. Goals of which are very different than those in business, requiring different tools and techniques. A sampling of use cases have been collected and analyzed in terms of data analytics end goal types, volume, specialized processing, and other attributes. The goal of collecting these use cases is to be able to better understand and specify requirements for data analytics tools and techniques yet to be implemented. This presentation will describe the attributes and preliminary findings of ESDA use cases, as well as provide early analysis of data analytics toolstechniques requirements that would support specific ESDA type goals. Representative existing data analytics toolstechniques relevant to ESDA will also be addressed.

Structural modeling of HTS tapes and cables

NASA Astrophysics Data System (ADS)

Allen, N. C.; Chiesa, L.; Takayasu, M.

2016-12-01

Structural finite element analysis (FEA) has been used as an insightful tool to investigate the electromechanical behavior of HTS REBCO tapes and twisted stacked-tape cables under tension, torsion, bending and combined loads. A novel technique was developed for modeling the layered composite structure of the 2G tapes with structural solid-shell elements in ANSYS®. The FEA models produced detailed strain information for the REBCO superconducting layer which was then paired with an analytical model to predict the critical current performance of the 2G HTS tapes under various loads. Two commercially available HTS tapes (SuperPower and SuNAM) under tension, torsion and combined tension-torsion were first analyzed with FEA and compared with available experimental results at 77 K. A sharp critical current degradation was experienced at the yield strength of the tapes under tension and below a 100 mm twist-pitch under torsion. Combined tension-torsion loads had a more gradual degradation of critical current for twist-pitches of 115 mm or shorter but had a negligible difference compared to pure tension for longer twist-pitches. Using the structural solid-shell technique for modeling 2G tapes in ANSYS®, an FEA methodology for simulating full scale three-dimensional HTS stacked-tape cables under pure bending was created. A model of a Twisted-Stacked Tape Cable (TSTC), a configuration first proposed at MIT, was initially developed and then adapted to the slotted-core HTS Cable-In-Conduit Conductor produced by the ENEA laboratory in Italy. The numerical axial strain of the HTS REBCO tapes within the cables as calculated by FEA were found to agree with an analytical model for two cases: perfect-slip (frictionless) and no-slip (bonded). The ENEA CICC model was also compared with recent experimental critical current data at 77 K and was found to match best using a low friction coefficient of 0.02 indicating that the tapes within the cable freely slide with respect to each other helping to reduce the axial strain during bending.

Application of Characterization, Modeling, and Analytics Towards Understanding Process Structure Linkages in Metallic 3D Printing (Postprint)

DTIC Science & Technology

2017-08-01

of metallic additive manufacturing processes and show that combining experimental data with modelling and advanced data processing and analytics...manufacturing processes and show that combining experimental data with modelling and advanced data processing and analytics methods will accelerate that...geometries, we develop a methodology that couples experimental data and modelling to convert the scan paths into spatially resolved local thermal histories

Molecular alignment and orientation with a hybrid Raman scattering technique

NASA Astrophysics Data System (ADS)

Bustard, Philip J.; Lausten, R.; Sussman, Benjamin J.

2012-11-01

We demonstrate a scheme for the preparation of molecular alignment and angular momentum orientation using a hybrid combination of two limits of Raman scattering. First a weak, impulsive pump pulse initializes the system via the nonresonant dynamic Stark effect. Then, having overcome the influence of the vacuum fluctuations, an amplification pulse selectively enhances the initial coherences by transient stimulated Raman scattering, generating alignment and angular momentum orientation of molecular hydrogen. The amplitude and phase of the resulting coherent dynamics are experimentally probed, indicating an amplification factor of 4.5. An analytic theory is developed to model the dynamics.

Dispersive models describing mosquitoes’ population dynamics

NASA Astrophysics Data System (ADS)

Yamashita, W. M. S.; Takahashi, L. T.; Chapiro, G.

2016-08-01

The global incidences of dengue and, more recently, zica virus have increased the interest in studying and understanding the mosquito population dynamics. Understanding this dynamics is important for public health in countries where climatic and environmental conditions are favorable for the propagation of these diseases. This work is based on the study of nonlinear mathematical models dealing with the life cycle of the dengue mosquito using partial differential equations. We investigate the existence of traveling wave solutions using semi-analytical method combining dynamical systems techniques and numerical integration. Obtained solutions are validated through numerical simulations using finite difference schemes.

Coalescence computations for large samples drawn from populations of time-varying sizes

PubMed Central

Polanski, Andrzej; Szczesna, Agnieszka; Garbulowski, Mateusz; Kimmel, Marek

2017-01-01

We present new results concerning probability distributions of times in the coalescence tree and expected allele frequencies for coalescent with large sample size. The obtained results are based on computational methodologies, which involve combining coalescence time scale changes with techniques of integral transformations and using analytical formulae for infinite products. We show applications of the proposed methodologies for computing probability distributions of times in the coalescence tree and their limits, for evaluation of accuracy of approximate expressions for times in the coalescence tree and expected allele frequencies, and for analysis of large human mitochondrial DNA dataset. PMID:28170404

Procedure for rapid determination of nickel, cobalt, and chromium in airborne particulate samples

NASA Technical Reports Server (NTRS)

Davis, W. F.; Graab, J. W.

1972-01-01

A rapid, selective procedure for the determination of 1 to 20 micrograms of nickel, chromium, and cobalt in airborne particulates is described. The method utilizes the combined techniques of low temperature ashing and atomic absorption spectroscopy. The airborne particulates are collected on analytical filter paper. The filter papers are ashed, and the residues are dissolved in hydrochloric acid. Nickel, chromium, and cobalt are determined directly with good precision and accuracy by means of atomic absorption. The effects of flame type, burner height, slit width, and lamp current on the atomic absorption measurements are reported.

An expert system for municipal solid waste management simulation analysis

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

Hsieh, M.C.; Chang, N.B.

1996-12-31

Optimization techniques were usually used to model the complicated metropolitan solid waste management system to search for the best dynamic combination of waste recycling, facility siting, and system operation, where sophisticated and well-defined interrelationship are required in the modeling process. But this paper applied the Concurrent Object-Oriented Simulation (COOS), a new simulation software construction method, to bridge the gap between the physical system and its computer representation. The case study of Kaohsiung solid waste management system in Taiwan is prepared for the illustration of the analytical methodology of COOS and its implementation in the creation of an expert system.

Dielectrophoretic label-free immunoassay for rare-analyte quantification in biological samples

NASA Astrophysics Data System (ADS)

Velmanickam, Logeeshan; Laudenbach, Darrin; Nawarathna, Dharmakeerthi

2016-10-01

The current gold standard for detecting or quantifying target analytes from blood samples is the ELISA (enzyme-linked immunosorbent assay). The detection limit of ELISA is about 250 pg/ml. However, to quantify analytes that are related to various stages of tumors including early detection requires detecting well below the current limit of the ELISA test. For example, Interleukin 6 (IL-6) levels of early oral cancer patients are <100 pg/ml and the prostate specific antigen level of the early stage of prostate cancer is about 1 ng/ml. Further, it has been reported that there are significantly less than 1 pg /mL of analytes in the early stage of tumors. Therefore, depending on the tumor type and the stage of the tumors, it is required to quantify various levels of analytes ranging from ng/ml to pg/ml. To accommodate these critical needs in the current diagnosis, there is a need for a technique that has a large dynamic range with an ability to detect extremely low levels of target analytes (

Assessing the Value of Structured Analytic Techniques in the U.S. Intelligence Community

DTIC Science & Technology

2016-01-01

Analytic Techniques, and Why Do Analysts Use Them? SATs are methods of organizing and stimulating thinking about intelligence problems. These methods... thinking ; and imaginative thinking techniques encourage new perspectives, insights, and alternative scenarios. Among the many SATs in use today, the...more transparent, so that other analysts and customers can bet - ter understand how the judgments were reached. SATs also facilitate group involvement

Synchrotron imaging reveals bone healing and remodelling strategies in extinct and extant vertebrates

PubMed Central

Anné, Jennifer; Edwards, Nicholas P.; Wogelius, Roy A.; Tumarkin-Deratzian, Allison R.; Sellers, William I.; van Veelen, Arjen; Bergmann, Uwe; Sokaras, Dimosthenis; Alonso-Mori, Roberto; Ignatyev, Konstantin; Egerton, Victoria M.; Manning, Phillip L.

2014-01-01

Current understanding of bone healing and remodelling strategies in vertebrates has traditionally relied on morphological observations through the histological analysis of thin sections. However, chemical analysis may also be used in such interpretations, as different elements are known to be absorbed and used by bone for different physiological purposes such as growth and healing. These chemical signatures are beyond the detection limit of most laboratory-based analytical techniques (e.g. scanning electron microscopy). However, synchrotron rapid scanning–X-ray fluorescence (SRS–XRF) is an elemental mapping technique that uniquely combines high sensitivity (ppm), excellent sample resolution (20–100 µm) and the ability to scan large specimens (decimetre scale) approximately 3000 times faster than other mapping techniques. Here, we use SRS–XRF combined with microfocus elemental mapping (2–20 µm) to determine the distribution and concentration of trace elements within pathological and normal bone of both extant and extinct archosaurs (Cathartes aura and Allosaurus fragilis). Results reveal discrete chemical inventories within different bone tissue types and preservation modes. Chemical inventories also revealed detail of histological features not observable in thin section, including fine structures within the interface between pathological and normal bone as well as woven texture within pathological tissue. PMID:24806709

A computerized symbolic integration technique for development of triangular and quadrilateral composite shallow-shell finite elements

NASA Technical Reports Server (NTRS)

Anderson, C. M.; Noor, A. K.

1975-01-01

Computerized symbolic integration was used in conjunction with group-theoretic techniques to obtain analytic expressions for the stiffness, geometric stiffness, consistent mass, and consistent load matrices of composite shallow shell structural elements. The elements are shear flexible and have variable curvature. A stiffness (displacement) formulation was used with the fundamental unknowns consisting of both the displacement and rotation components of the reference surface of the shell. The triangular elements have six and ten nodes; the quadrilateral elements have four and eight nodes and can have internal degrees of freedom associated with displacement modes which vanish along the edges of the element (bubble modes). The stiffness, geometric stiffness, consistent mass, and consistent load coefficients are expressed as linear combinations of integrals (over the element domain) whose integrands are products of shape functions and their derivatives. The evaluation of the elemental matrices is divided into two separate problems - determination of the coefficients in the linear combination and evaluation of the integrals. The integrals are performed symbolically by using the symbolic-and-algebraic-manipulation language MACSYMA. The efficiency of using symbolic integration in the element development is demonstrated by comparing the number of floating-point arithmetic operations required in this approach with those required by a commonly used numerical quadrature technique.

A Comprehensive Workflow of Mass Spectrometry-Based Untargeted Metabolomics in Cancer Metabolic Biomarker Discovery Using Human Plasma and Urine

PubMed Central

Zou, Wei; She, Jianwen; Tolstikov, Vladimir V.

2013-01-01

Current available biomarkers lack sensitivity and/or specificity for early detection of cancer. To address this challenge, a robust and complete workflow for metabolic profiling and data mining is described in details. Three independent and complementary analytical techniques for metabolic profiling are applied: hydrophilic interaction liquid chromatography (HILIC–LC), reversed-phase liquid chromatography (RP–LC), and gas chromatography (GC). All three techniques are coupled to a mass spectrometer (MS) in the full scan acquisition mode, and both unsupervised and supervised methods are used for data mining. The univariate and multivariate feature selection are used to determine subsets of potentially discriminative predictors. These predictors are further identified by obtaining accurate masses and isotopic ratios using selected ion monitoring (SIM) and data-dependent MS/MS and/or accurate mass MSn ion tree scans utilizing high resolution MS. A list combining all of the identified potential biomarkers generated from different platforms and algorithms is used for pathway analysis. Such a workflow combining comprehensive metabolic profiling and advanced data mining techniques may provide a powerful approach for metabolic pathway analysis and biomarker discovery in cancer research. Two case studies with previous published data are adapted and included in the context to elucidate the application of the workflow. PMID:24958150

40 CFR Table 4 to Subpart Zzzz of... - Requirements for Performance Tests

Code of Federal Regulations, 2012 CFR

2012-07-01

... D6348-03,c provided in ASTM D6348-03 Annex A5 (Analyte Spiking Technique), the percent R must be greater... ASTM D6348-03,c provided in ASTM D6348-03 Annex A5 (Analyte Spiking Technique), the percent R must be...

40 CFR Table 4 to Subpart Zzzz of... - Requirements for Performance Tests

Code of Federal Regulations, 2011 CFR

2011-07-01

... D6348-03,c provided in ASTM D6348-03 Annex A5 (Analyte Spiking Technique), the percent R must be greater... ASTM D6348-03,c provided in ASTM D6348-03 Annex A5 (Analyte Spiking Technique), the percent R must be...

Analytical aids in land management planning

Treesearch

David R. Betters

1978-01-01

Quantitative techniques may be applied to aid in completing various phases of land management planning. Analytical procedures which have been used include a procedure for public involvement, PUBLIC; a matrix information generator, MAGE5; an allocation procedure, linear programming (LP); and an input-output economic analysis (EA). These techniques have proven useful in...

Recent advances in electronic nose techniques for monitoring of fermentation process.

PubMed

Jiang, Hui; Zhang, Hang; Chen, Quansheng; Mei, Congli; Liu, Guohai

2015-12-01

Microbial fermentation process is often sensitive to even slight changes of conditions that may result in unacceptable end-product quality. Thus, the monitoring of the process is critical for discovering unfavorable deviations as early as possible and taking the appropriate measures. However, the use of traditional analytical techniques is often time-consuming and labor-intensive. In this sense, the most effective way of developing rapid, accurate and relatively economical method for quality assurance in microbial fermentation process is the use of novel chemical sensor systems. Electronic nose techniques have particular advantages in non-invasive monitoring of microbial fermentation process. Therefore, in this review, we present an overview of the most important contributions dealing with the quality control in microbial fermentation process using the electronic nose techniques. After a brief description of the fundamentals of the sensor techniques, some examples of potential applications of electronic nose techniques monitoring are provided, including the implementation of control strategies and the combination with other monitoring tools (i.e. sensor fusion). Finally, on the basis of the review, the electronic nose techniques are critically commented, and its strengths and weaknesses being highlighted. In addition, on the basis of the observed trends, we also propose the technical challenges and future outlook for the electronic nose techniques.

Machine-learning techniques for geochemical discrimination of 2011 Tohoku tsunami deposits

PubMed Central

Kuwatani, Tatsu; Nagata, Kenji; Okada, Masato; Watanabe, Takahiro; Ogawa, Yasumasa; Komai, Takeshi; Tsuchiya, Noriyoshi

2014-01-01

Geochemical discrimination has recently been recognised as a potentially useful proxy for identifying tsunami deposits in addition to classical proxies such as sedimentological and micropalaeontological evidence. However, difficulties remain because it is unclear which elements best discriminate between tsunami and non-tsunami deposits. Herein, we propose a mathematical methodology for the geochemical discrimination of tsunami deposits using machine-learning techniques. The proposed method can determine the appropriate combinations of elements and the precise discrimination plane that best discerns tsunami deposits from non-tsunami deposits in high-dimensional compositional space through the use of data sets of bulk composition that have been categorised as tsunami or non-tsunami sediments. We applied this method to the 2011 Tohoku tsunami and to background marine sedimentary rocks. After an exhaustive search of all 262,144 (= 218) combinations of the 18 analysed elements, we observed several tens of combinations with discrimination rates higher than 99.0%. The analytical results show that elements such as Ca and several heavy-metal elements are important for discriminating tsunami deposits from marine sedimentary rocks. These elements are considered to reflect the formation mechanism and origin of the tsunami deposits. The proposed methodology has the potential to aid in the identification of past tsunamis by using other tsunami proxies. PMID:25399750

Aging time and brand determination of pasteurized milk using a multisensor e-nose combined with a voltammetric e-tongue.

PubMed

Bougrini, Madiha; Tahri, Khalid; Haddi, Zouhair; El Bari, Nezha; Llobet, Eduard; Jaffrezic-Renault, Nicole; Bouchikhi, Benachir

2014-12-01

A combined approach based on a multisensor system to get additional chemical information from liquid samples through the analysis of the solution and its headspace is illustrated and commented. In the present work, innovative analytical techniques, such as a hybrid e-nose and a voltammetric e-tongue were elaborated to differentiate between different pasteurized milk brands and for the exact recognition of their storage days through the data fusion technique of the combined system. The Principal Component Analysis (PCA) has shown an acceptable discrimination of the pasteurized milk brands on the first day of storage, when the two instruments were used independently. Contrariwise, PCA indicated that no clear storage day's discrimination can be drawn when the two instruments are applied separately. Mid-level of abstraction data fusion approach has demonstrated that results obtained by the data fusion approach outperformed the classification results of the e-nose and e-tongue taken individually. Furthermore, the Support Vector Machine (SVM) supervised method was applied to the new subset and confirmed that all storage days were correctly identified. This study can be generalized to several beverage and food products where their quality is based on the perception of odor and flavor. Copyright © 2014 Elsevier B.V. All rights reserved.

New approaches for metabolomics by mass spectrometry

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

Vertes, Akos

Small molecules constitute a large part of the world around us, including fossil and some renewable energy sources. Solar energy harvested by plants and bacteria is converted into energy rich small molecules on a massive scale. Some of the worst contaminants of the environment and compounds of interest for national security also fall in the category of small molecules. The development of large scale metabolomic analysis methods lags behind the state of the art established for genomics and proteomics. This is commonly attributed to the diversity of molecular classes included in a metabolome. Unlike nucleic acids and proteins, metabolites domore » not have standard building blocks, and, as a result, their molecular properties exhibit a wide spectrum. This impedes the development of dedicated separation and spectroscopic methods. Mass spectrometry (MS) is a strong contender in the quest for a quantitative analytical tool with extensive metabolite coverage. Although various MS-based techniques are emerging for metabolomics, many of these approaches include extensive sample preparation that make large scale studies resource intensive and slow. New ionization methods are redefining the range of analytical problems that can be solved using MS. This project developed new approaches for the direct analysis of small molecules in unprocessed samples, as well as pushed the limits of ultratrace analysis in volume limited complex samples. The projects resulted in techniques that enabled metabolomics investigations with enhanced molecular coverage, as well as the study of cellular response to stimuli on a single cell level. Effectively individual cells became reaction vessels, where we followed the response of a complex biological system to external perturbation. We established two new analytical platforms for the direct study of metabolic changes in cells and tissues following external perturbation. For this purpose we developed a novel technique, laser ablation electrospray ionization (LAESI), for metabolite profiling of functioning cells and tissues. The technique was based on microscopic sampling of biological specimens by mid-infrared laser ablation followed by electrospray ionization of the plume and MS analysis. The two main shortcomings of this technique had been limited specificity due to the lack of a separation step, and limited molecular coverage, especially for nonpolar chemical species. To improve specificity and the coverage of the metabolome, we implemented the LAESI ion source on a mass spectrometer with ion mobility separation (IMS). In this system, the gas phase ions produced by the LAESI source were first sorted according to their collisional cross sections in a mobility cell. These separated ion packets were then subjected to MS analysis. By combining the atmospheric pressure ionization with IMS, we improved the metabolite coverage. Further enhancement of the non-polar metabolite coverage resulted from the combination of laser ablation with vacuum UV irradiation of the ablation plume. Our results indicated that this new ionization modality provided improved detection for neutral and non-polar compounds. Based on rapid progress in photonics, we had introduced another novel ion source that utilized the interaction of a laser pulse with silicon nanopost arrays (NAPA). In these nanophotonic ion sources, the structural features were commensurate with the wavelength of the laser light. The enhanced interaction resulted in high ion yields. This ultrasensitive analytical platform enabled the MS analysis of single yeast cells. We extended these NAPA studies from yeast to other microorganisms, including green algae (Chlamydomonas reinhardtii) that captured energy from sunlight on a massive scale. Combining cellular perturbations, e.g., through environmental changes, with the newly developed single cell analysis methods enabled us to follow dynamic changes induced in the cells. In effect, we were able to use individual cells as a “laboratory,” and approached the long-standing goal of establishing a “lab-in-a-cell.” Model systems for these studies included cells of cyanobacteria (Anabaena), yeast (Saccharomyces cerevisiae), green algae (C. reinhardtii) and Arabidopsis thaliana.« less

Ring-oven based preconcentration technique for microanalysis: simultaneous determination of Na, Fe, and Cu in fuel ethanol by laser induced breakdown spectroscopy.

PubMed

Cortez, Juliana; Pasquini, Celio

2013-02-05

The ring-oven technique, originally applied for classical qualitative analysis in the years 1950s to 1970s, is revisited to be used in a simple though highly efficient and green procedure for analyte preconcentration prior to its determination by the microanalytical techniques presently available. The proposed preconcentration technique is based on the dropwise delivery of a small volume of sample to a filter paper substrate, assisted by a flow-injection-like system. The filter paper is maintained in a small circular heated oven (the ring oven). Drops of the sample solution diffuse by capillarity from the center to a circular area of the paper substrate. After the total sample volume has been delivered, a ring with a sharp (c.a. 350 μm) circular contour, of about 2.0 cm diameter, is formed on the paper to contain most of the analytes originally present in the sample volume. Preconcentration coefficients of the analyte can reach 250-fold (on a m/m basis) for a sample volume as small as 600 μL. The proposed system and procedure have been evaluated to concentrate Na, Fe, and Cu in fuel ethanol, followed by simultaneous direct determination of these species in the ring contour, employing the microanalytical technique of laser induced breakdown spectroscopy (LIBS). Detection limits of 0.7, 0.4, and 0.3 μg mL(-1) and mean recoveries of (109 ± 13)%, (92 ± 18)%, and (98 ± 12)%, for Na, Fe, and Cu, respectively, were obtained in fuel ethanol. It is possible to anticipate the application of the technique, coupled to modern microanalytical and multianalyte techniques, to several analytical problems requiring analyte preconcentration and/or sample stabilization.

Quality assessment of internet pharmaceutical products using traditional and non-traditional analytical techniques.

PubMed

Westenberger, Benjamin J; Ellison, Christopher D; Fussner, Andrew S; Jenney, Susan; Kolinski, Richard E; Lipe, Terra G; Lyon, Robbe C; Moore, Terry W; Revelle, Larry K; Smith, Anjanette P; Spencer, John A; Story, Kimberly D; Toler, Duckhee Y; Wokovich, Anna M; Buhse, Lucinda F

2005-12-08

This work investigated the use of non-traditional analytical methods to evaluate the quality of a variety of pharmaceutical products purchased via internet sites from foreign sources and compared the results with those obtained from conventional quality assurance methods. Traditional analytical techniques employing HPLC for potency, content uniformity, chromatographic purity and drug release profiles were used to evaluate the quality of five selected drug products (fluoxetine hydrochloride, levothyroxine sodium, metformin hydrochloride, phenytoin sodium, and warfarin sodium). Non-traditional techniques, such as near infrared spectroscopy (NIR), NIR imaging and thermogravimetric analysis (TGA), were employed to verify the results and investigate their potential as alternative testing methods. Two of 20 samples failed USP monographs for quality attributes. The additional analytical methods found 11 of 20 samples had different formulations when compared to the U.S. product. Seven of the 20 samples arrived in questionable containers, and 19 of 20 had incomplete labeling. Only 1 of the 20 samples had final packaging similar to the U.S. products. The non-traditional techniques complemented the traditional techniques used and highlighted additional quality issues for the products tested. For example, these methods detected suspect manufacturing issues (such as blending), which were not evident from traditional testing alone.

An Experiential Research-Focused Approach: Implementation in a Nonlaboratory-Based Graduate-Level Analytical Chemistry Course

ERIC Educational Resources Information Center

Toh, Chee-Seng

2007-01-01

A project is described which incorporates nonlaboratory research skills in a graduate level course on analytical chemistry. This project will help students to grasp the basic principles and concepts of modern analytical techniques and also help them develop relevant research skills in analytical chemistry.

Analytical and numerical techniques for predicting the interfacial stresses of wavy carbon nanotube/polymer composites

NASA Astrophysics Data System (ADS)

Yazdchi, K.; Salehi, M.; Shokrieh, M. M.

2009-03-01

By introducing a new simplified 3D representative volume element for wavy carbon nanotubes, an analytical model is developed to study the stress transfer in single-walled carbon nanotube-reinforced polymer composites. Based on the pull-out modeling technique, the effects of waviness, aspect ratio, and Poisson ratio on the axial and interfacial shear stresses are analyzed in detail. The results of the present analytical model are in a good agreement with corresponding results for straight nanotubes.

Using multiple isotopes to understand the source of ingredients used in golden beverages

NASA Astrophysics Data System (ADS)

Wynn, J. G.

2011-12-01

Traditionally, beer contains 4 simple ingredients: water, barley, hops and yeast. Each of these ingredients used in the brewing process contributes some combination of a number of "traditional" stable isotopes (i.e., isotopes of H, C, O, N and S) to the final product. As an educational exercise in an "Analytical Techniques in Geology" course, a group of students analyzed the isotopic composition of the gas, liquid and solid phases of a variety of beer samples collected from throughout the world (including other beverages). The hydrogen and oxygen isotopic composition of the water followed closely the isotopic composition of local meteoric water at the source of the brewery, although there is a systematic offset from the global meteoric water line that may be due to the effects of CO2-H2O equilibration. The carbon isotopic composition of the CO2 reflected that of the solid residue (the source of carbon used as a fermentation substrate), but may potentially be modified by addition of gas-phase CO2 from an inorganic source. The carbon isotopic composition of the solid residue similarly tracks that of the fermentation substrate, and may indicate some alcohol fermented from added sugars in some cases. The nitrogen isotopic composition of the solid residue was relatively constant, and may track the source of nitrogen in the barley, hops and yeast. Each of the analytical methods used is a relatively standard technique used in geological applications, making this a "fun" exercise for those involved, and gives the students hands-on experience with a variety of analytes from a non-traditional sample material.

Electrospray Ionization Efficiency Is Dependent on Different Molecular Descriptors with Respect to Solvent pH and Instrumental Configuration

PubMed Central

Kiontke, Andreas; Oliveira-Birkmeier, Ariana; Opitz, Andreas

2016-01-01

Over the past decades, electrospray ionization for mass spectrometry (ESI-MS) has become one of the most commonly employed techniques in analytical chemistry, mainly due to its broad applicability to polar and semipolar compounds and the superior selectivity which is achieved in combination with high resolution separation techniques. However, responsiveness of an analytical method also determines its suitability for the quantitation of chemical compounds; and in electrospray ionization for mass spectrometry, it can vary significantly among different analytes with identical solution concentrations. Therefore, we investigated the ESI-response behavior of 56 nitrogen-containing compounds including aromatic amines and pyridines, two compound classes of high importance to both, synthetic organic chemistry as well as to pharmaceutical sciences. These compounds are increasingly analyzed employing ESI mass spectrometry detection due to their polar, basic character. Signal intensities of the peaks from the protonated molecular ion (MH+) were acquired under different conditions and related to compound properties such as basicity, polarity, volatility and molecular size exploring their quantitative impact on ionization efficiency. As a result, we found that though solution basicity of a compound is the main factor initially determining the ESI response of the protonated molecular ion, other factors such as polarity and vaporability become more important under acidic solvent conditions and may nearly outweigh the importance of basicity under these conditions. Moreover, we show that different molecular descriptors may become important when using different types of instruments for such investigations, a fact not detailed so far in the available literature. PMID:27907110

Large Ensemble Analytic Framework for Consequence-Driven Discovery of Climate Change Scenarios

NASA Astrophysics Data System (ADS)

Lamontagne, Jonathan R.; Reed, Patrick M.; Link, Robert; Calvin, Katherine V.; Clarke, Leon E.; Edmonds, James A.

2018-03-01

An analytic scenario generation framework is developed based on the idea that the same climate outcome can result from very different socioeconomic and policy drivers. The framework builds on the Scenario Matrix Framework's abstraction of "challenges to mitigation" and "challenges to adaptation" to facilitate the flexible discovery of diverse and consequential scenarios. We combine visual and statistical techniques for interrogating a large factorial data set of 33,750 scenarios generated using the Global Change Assessment Model. We demonstrate how the analytic framework can aid in identifying which scenario assumptions are most tied to user-specified measures for policy relevant outcomes of interest, specifically for our example high or low mitigation costs. We show that the current approach for selecting reference scenarios can miss policy relevant scenario narratives that often emerge as hybrids of optimistic and pessimistic scenario assumptions. We also show that the same scenario assumption can be associated with both high and low mitigation costs depending on the climate outcome of interest and the mitigation policy context. In the illustrative example, we show how agricultural productivity, population growth, and economic growth are most predictive of the level of mitigation costs. Formulating policy relevant scenarios of deeply and broadly uncertain futures benefits from large ensemble-based exploration of quantitative measures of consequences. To this end, we have contributed a large database of climate change futures that can support "bottom-up" scenario generation techniques that capture a broader array of consequences than those that emerge from limited sampling of a few reference scenarios.

Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry.

PubMed

Clemons, Kristina; Dake, Jeffrey; Sisco, Edward; Verbeck, Guido F

2013-09-10

Direct analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe-NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ). Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

New constraints on deformation processes in serpentinite from sub-micron Raman Spectroscopy and TEM

NASA Astrophysics Data System (ADS)

Smith, S. A. F.; Tarling, M.; Rooney, J. S.; Gordon, K. C.; Viti, C.

2017-12-01

Extensive work has been performed to characterize the mineralogical and mechanical properties of the various serpentine minerals (i.e. antigorite, lizardite, chrysotile, polyhedral and polygonal serpentine). However, correct identification of serpentine minerals is often difficult or impossible using conventional analytical techniques such as optical- and SEM-based microscopy, X-ray diffraction and infrared spectroscopy. Transmission Electron Microscopy (TEM) is the best analytical technique to identify the serpentine minerals, but TEM requires complex sample preparation and typically results in very small analysis areas. Sub-micron confocal Raman spectroscopy mapping of polished thin sections provides a quick and relatively inexpensive way of unambiguously distinguishing the main serpentine minerals within their in-situ microstructural context. The combination of high spatial resolution (with a diffraction-limited system, 366 nm), large-area coverage (up to hundreds of microns in each dimension) and ability to map directly on thin sections allows intricate fault rock textures to be imaged at a sample-scale, which can then form the target of more focused TEM work. The potential of sub-micron Raman Spectroscopy + TEM is illustrated by examining sub-micron-scale mineral intergrowths and deformation textures in scaly serpentinites (e.g. dissolution seams, mineral growth in pressure shadows), serpentinite crack-seal veins and polished fault slip surfaces from a serpentinite-bearing mélange in New Zealand. The microstructural information provided by these techniques has yielded new insights into coseismic dehydration and amorphization processes and the interplay between creep and localised rupture in serpentinite shear zones.

Impact of polymers on the crystallization and phase transition kinetics of amorphous nifedipine during dissolution in aqueous media.

PubMed

Raina, Shweta A; Alonzo, David E; Zhang, Geoff G Z; Gao, Yi; Taylor, Lynne S

2014-10-06

The commercial and clinical success of amorphous solid dispersions (ASD) in overcoming the low bioavailability of poorly soluble molecules has generated momentum among pharmaceutical scientists to advance the fundamental understanding of these complex systems. A major limitation of these formulations stems from the propensity of amorphous solids to crystallize upon exposure to aqueous media. This study was specifically focused on developing analytical techniques to evaluate the impact of polymers on the crystallization behavior during dissolution, which is critical in designing effective amorphous formulations. In the study, the crystallization and polymorphic conversions of a model compound, nifedipine, were explored in the absence and presence of polyvinylpyrrolidone (PVP), hydroxypropylmethyl cellulose (HPMC), and HPMC-acetate succinate (HPMC-AS). A combination of analytical approaches including Raman spectroscopy, polarized light microscopy, and chemometric techniques such as multivariate curve resolution (MCR) were used to evaluate the kinetics of crystallization and polymorphic transitions as well as to identify the primary route of crystallization, i.e., whether crystallization took place in the dissolving solid matrix or from the supersaturated solutions generated during dissolution. Pure amorphous nifedipine, when exposed to aqueous media, was found to crystallize rapidly from the amorphous matrix, even when polymers were present in the dissolution medium. Matrix crystallization was avoided when amorphous solid dispersions were prepared, however, crystallization from the solution phase was rapid. MCR was found to be an excellent data processing technique to deconvolute the complex phase transition behavior of nifedipine.

MOMA Gas Chromatograph-Mass Spectrometer onboard the 2018 ExoMars Mission: results and performance

NASA Astrophysics Data System (ADS)

Buch, A.; Pinnick, V. T.; Szopa, C.; Grand, N.; Humeau, O.; van Amerom, F. H.; Danell, R.; Freissinet, C.; Brinckerhoff, W.; Gonnsen, Z.; Mahaffy, P. R.; Coll, P.; Raulin, F.; Goesmann, F.

2015-10-01

The Mars Organic Molecule Analyzer (MOMA) is a dual ion source linear ion trap mass spectrometer that was designed for the 2018 joint ESA-Roscosmos mission to Mars. The main scientific aim of the mission is to search for signs of extant or extinct life in the near subsurface of Mars by acquiring samples from as deep as 2 m below the surface. MOMA will be a key analytical tool in providing chemical (molecular and chiral) information from the solid samples, with particular focus on the characterization of organic content. The MOMA instrument, itself, is a joint venture for NASA and ESA to develop a mass spectrometer capable of analyzing samples from pyrolysis/chemical derivatization gas chromatography (GC) as well as ambient pressure laser desorption ionization (LDI). The combination of the two analytical techniques allows for the chemical characterization of a broad range of compounds, including volatile and non-volatile species. Generally, MOMA can provide information on elemental and molecular makeup, polarity, chirality and isotopic patterns of analyte species. Here we report on the current performance of the MOMA prototype instruments, specifically the demonstration of the gas chromatographymass spectrometry (GC-MS) mode of operation.

Computational Simulation of Acoustic Modes in Rocket Combustors

NASA Technical Reports Server (NTRS)

Harper, Brent (Technical Monitor); Merkle, C. L.; Sankaran, V.; Ellis, M.

2004-01-01

A combination of computational fluid dynamic analysis and analytical solutions is being used to characterize the dominant modes in liquid rocket engines in conjunction with laboratory experiments. The analytical solutions are based on simplified geometries and flow conditions and are used for careful validation of the numerical formulation. The validated computational model is then extended to realistic geometries and flow conditions to test the effects of various parameters on chamber modes, to guide and interpret companion laboratory experiments in simplified combustors, and to scale the measurements to engine operating conditions. In turn, the experiments are used to validate and improve the model. The present paper gives an overview of the numerical and analytical techniques along with comparisons illustrating the accuracy of the computations as a function of grid resolution. A representative parametric study of the effect of combustor mean flow Mach number and combustor aspect ratio on the chamber modes is then presented for both transverse and longitudinal modes. The results show that higher mean flow Mach numbers drive the modes to lower frequencies. Estimates of transverse wave mechanics in a high aspect ratio combustor are then contrasted with longitudinal modes in a long and narrow combustor to provide understanding of potential experimental simulations.

ACCELERATING MR PARAMETER MAPPING USING SPARSITY-PROMOTING REGULARIZATION IN PARAMETRIC DIMENSION

PubMed Central

Velikina, Julia V.; Alexander, Andrew L.; Samsonov, Alexey

2013-01-01

MR parameter mapping requires sampling along additional (parametric) dimension, which often limits its clinical appeal due to a several-fold increase in scan times compared to conventional anatomic imaging. Data undersampling combined with parallel imaging is an attractive way to reduce scan time in such applications. However, inherent SNR penalties of parallel MRI due to noise amplification often limit its utility even at moderate acceleration factors, requiring regularization by prior knowledge. In this work, we propose a novel regularization strategy, which utilizes smoothness of signal evolution in the parametric dimension within compressed sensing framework (p-CS) to provide accurate and precise estimation of parametric maps from undersampled data. The performance of the method was demonstrated with variable flip angle T1 mapping and compared favorably to two representative reconstruction approaches, image space-based total variation regularization and an analytical model-based reconstruction. The proposed p-CS regularization was found to provide efficient suppression of noise amplification and preservation of parameter mapping accuracy without explicit utilization of analytical signal models. The developed method may facilitate acceleration of quantitative MRI techniques that are not suitable to model-based reconstruction because of complex signal models or when signal deviations from the expected analytical model exist. PMID:23213053

Fiber optic evanescent wave biosensor

NASA Astrophysics Data System (ADS)

Duveneck, Gert L.; Ehrat, Markus; Widmer, H. M.

1991-09-01

The role of modern analytical chemistry is not restricted to quality control and environmental surveillance, but has been extended to process control using on-line analytical techniques. Besides industrial applications, highly specific, ultra-sensitive biochemical analysis becomes increasingly important as a diagnostic tool, both in central clinical laboratories and in the doctor's office. Fiber optic sensor technology can fulfill many of the requirements for both types of applications. As an example, the experimental arrangement of a fiber optic sensor for biochemical affinity assays is presented. The evanescent electromagnetic field, associated with a light ray guided in an optical fiber, is used for the excitation of luminescence labels attached to the biomolecules in solution to be analyzed. Due to the small penetration depth of the evanescent field into the medium, the generation of luminescence is restricted to the close proximity of the fiber, where, e.g., the luminescent analyte molecules combine with their affinity partners, which are immobilized on the fiber. Both cw- and pulsed light excitation can be used in evanescent wave sensor technology, enabling the on-line observation of an affinity assay on a macroscopic time scale (seconds and minutes), as well as on a microscopic, molecular time scale (nanoseconds or microseconds).

Modern Material Analysis Instruments Add a New Dimension to Materials Characterization and Failure Analysis

NASA Technical Reports Server (NTRS)

Panda, Binayak

2009-01-01

Modern analytical tools can yield invaluable results during materials characterization and failure analysis. Scanning electron microscopes (SEMs) provide significant analytical capabilities, including angstrom-level resolution. These systems can be equipped with a silicon drift detector (SDD) for very fast yet precise analytical mapping of phases, as well as electron back-scattered diffraction (EBSD) units to map grain orientations, chambers that admit large samples, variable pressure for wet samples, and quantitative analysis software to examine phases. Advanced solid-state electronics have also improved surface and bulk analysis instruments: Secondary ion mass spectroscopy (SIMS) can quantitatively determine and map light elements such as hydrogen, lithium, and boron - with their isotopes. Its high sensitivity detects impurities at parts per billion (ppb) levels. X-ray photo-electron spectroscopy (XPS) can determine oxidation states of elements, as well as identifying polymers and measuring film thicknesses on coated composites. This technique is also known as electron spectroscopy for chemical analysis (ESCA). Scanning Auger electron spectroscopy (SAM) combines surface sensitivity, spatial lateral resolution (10 nm), and depth profiling capabilities to describe elemental compositions of near and below surface regions down to the chemical state of an atom.

Combined imaging and chemical sensing using a single optical imaging fiber.

PubMed

Bronk, K S; Michael, K L; Pantano, P; Walt, D R

1995-09-01

Despite many innovations and developments in the field of fiber-optic chemical sensors, optical fibers have not been employed to both view a sample and concurrently detect an analyte of interest. While chemical sensors employing a single optical fiber or a noncoherent fiberoptic bundle have been applied to a wide variety of analytical determinations, they cannot be used for imaging. Similarly, coherent imaging fibers have been employed only for their originally intended purpose, image transmission. We herein report a new technique for viewing a sample and measuring surface chemical concentrations that employs a coherent imaging fiber. The method is based on the deposition of a thin, analyte-sensitive polymer layer on the distal surface of a 350-microns-diameter imaging fiber. We present results from a pH sensor array and an acetylcholine biosensor array, each of which contains approximately 6000 optical sensors. The acetylcholine biosensor has a detection limit of 35 microM and a fast (< 1 s) response time. In association with an epifluorescence microscope and a charge-coupled device, these modified imaging fibers can display visual information of a remote sample with 4-microns spatial resolution, allowing for alternating acquisition of both chemical analysis and visual histology.

An Analytical Solution for Transient Thermal Response of an Insulated Structure

NASA Technical Reports Server (NTRS)

Blosser, Max L.

2012-01-01

An analytical solution was derived for the transient response of an insulated aerospace vehicle structure subjected to a simplified heat pulse. This simplified problem approximates the thermal response of a thermal protection system of an atmospheric entry vehicle. The exact analytical solution is solely a function of two non-dimensional parameters. A simpler function of these two parameters was developed to approximate the maximum structural temperature over a wide range of parameter values. Techniques were developed to choose constant, effective properties to represent the relevant temperature and pressure-dependent properties for the insulator and structure. A technique was also developed to map a time-varying surface temperature history to an equivalent square heat pulse. Using these techniques, the maximum structural temperature rise was calculated using the analytical solutions and shown to typically agree with finite element simulations within 10 to 20 percent over the relevant range of parameters studied.

Emulation applied to reliability analysis of reconfigurable, highly reliable, fault-tolerant computing systems

NASA Technical Reports Server (NTRS)

Migneault, G. E.

1979-01-01

Emulation techniques applied to the analysis of the reliability of highly reliable computer systems for future commercial aircraft are described. The lack of credible precision in reliability estimates obtained by analytical modeling techniques is first established. The difficulty is shown to be an unavoidable consequence of: (1) a high reliability requirement so demanding as to make system evaluation by use testing infeasible; (2) a complex system design technique, fault tolerance; (3) system reliability dominated by errors due to flaws in the system definition; and (4) elaborate analytical modeling techniques whose precision outputs are quite sensitive to errors of approximation in their input data. Next, the technique of emulation is described, indicating how its input is a simple description of the logical structure of a system and its output is the consequent behavior. Use of emulation techniques is discussed for pseudo-testing systems to evaluate bounds on the parameter values needed for the analytical techniques. Finally an illustrative example is presented to demonstrate from actual use the promise of the proposed application of emulation.

Advanced characterization of glass/melt inclusions trapped in phenocrysts by combined SEM-EDS, EMP-WDS and FT-IR techniques

NASA Astrophysics Data System (ADS)

Bellatreccia, Fabio; Cavallo, Andrea; de Astis, Gianfilippo; Della Ventura, Giancarlo; Mangiacapra, Annarita; Moretti, Roberto; Mormone, Angela; Piochi, Monica

2010-05-01

Melt inclusions (MIs) are micrometric-sized and variable-shaped impurity parcels of glass ± vesicles ± solids present within cavities or fractures of crystals. Because representing melt droplets that were trapped during crystal growth, they are believed to record the variable physico-chemical conditions of the hosting multi-phase system. Therefore, MIs are unique probe of near-liquidus magmatic conditions, otherwise inaccessible to Earth Scientists, and are widely used to integrate and corroborate conventional petrological and volcanological techniques based on mineral phases and whole rocks. Electron microprobe (EMP-WDS) and microscopy (SEM-EDS), and Fourier Transform Infra Red (FT-IR) spectroscopy are well-established analytical techniques, commonly used to determine composition of the magma from which MIs formed. Noteworthy, FT-IR is usually adopted to determine the content of dissolved H2O and CO2, providing i) essential information for entrapment pressures, hence depths of crystal growth, and ii) constraints to the volatile budget of magmas. Assessing such volatile contents has significant implications for the understanding of magma evolution and migration, from the depths of parental magma genesis, through the main depths of crustal storage, up to surface. The MI-based quantification of volatile contents and the recognition of degassing patterns are also vital for deciphering magma rheology, which largely affects eruptive dynamics and style. Limits to melt inclusion studies are i) their typically very small size (< 100 µm), ii) the possible late and secondary crystallization, iii) the diffusivity-driven chemical exchange between melt and host crystal, iv) and the alteration phenomena that mask or even delete the original melt composition. Here, we present a study of glass/melt inclusions in phenocrysts from Procida Island (Phlegraean Volcanic District, South Italy), analyzed for combined SEM-EDS electron microscopy, EMP-WDS microchemistry and FT-IR spectroscopy. In particular, we have characterized the distribution of volatile H and C species across both the host crystals and the inclusions, by using a focal-plane-array (FPA) of detectors. The FPA technique allows the acquisition of a large number of IR spectra simultaneously and generate mid-IR images with high resolving power of the target molecules in the H-O-C system. The integration of these analytical techniques is a mandatory step in order to provide definite advances in MI characterization and data interpretation.

75 FR 62520 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2010-10-12

... Thursday, October 7, 2010. Docket Numbers: ER10-2541-001. Applicants: Maple Analytics, LLC. Description: Maple Analytics, LLC submits tariff filing per 35: Maple Analytics, LLC Compliance Filing to be...

Nuclear and atomic analytical techniques in environmental studies in South America.

PubMed

Paschoa, A S

1990-01-01

The use of nuclear analytical techniques for environmental studies in South America is selectively reviewed since the time of earlier works of Lattes with cosmic rays until the recent applications of the PIXE (particle-induced X-ray emission) technique to study air pollution problems in large cities, such as São Paulo and Rio de Janeiro. The studies on natural radioactivity and fallout from nuclear weapons in South America are briefly examined.

Green aspects, developments and perspectives of liquid phase microextraction techniques.

PubMed

Spietelun, Agata; Marcinkowski, Łukasz; de la Guardia, Miguel; Namieśnik, Jacek

2014-02-01

Determination of analytes at trace levels in complex samples (e.g. biological or contaminated water or soils) are often required for the environmental assessment and monitoring as well as for scientific research in the field of environmental pollution. A limited number of analytical techniques are sensitive enough for the direct determination of trace components in samples and, because of that, a preliminary step of the analyte isolation/enrichment prior to analysis is required in many cases. In this work the newest trends and innovations in liquid phase microextraction, like: single-drop microextraction (SDME), hollow fiber liquid-phase microextraction (HF-LPME), and dispersive liquid-liquid microextraction (DLLME) have been discussed, including their critical evaluation and possible application in analytical practice. The described modifications of extraction techniques deal with system miniaturization and/or automation, the use of ultrasound and physical agitation, and electrochemical methods. Particular attention was given to pro-ecological aspects therefore the possible use of novel, non-toxic extracting agents, inter alia, ionic liquids, coacervates, surfactant solutions and reverse micelles in the liquid phase microextraction techniques has been evaluated in depth. Also, new methodological solutions and the related instruments and devices for the efficient liquid phase micoextraction of analytes, which have found application at the stage of procedure prior to chromatographic determination, are presented. © 2013 Published by Elsevier B.V.

Multivariate curve resolution applied to kinetic-spectroscopic data matrices: Dye determination in foods by means of enzymatic oxidation.

PubMed

Boeris, Valeria; Arancibia, Juan A; Olivieri, Alejandro C

2017-07-01

In this work, the combination of chemometric techniques with kinetic-spectroscopic data allowed quantifying two dyes (tartrazine and carminic acid) in complex matrices as mustard, ketchup, asparagus soup powder, pumpkin soup powder, plum jam and orange-strawberry juice. Quantitative analysis was performed without the use of tedious sample pretreatment, due to the achievement of the second-order advantage. The results obtained showed an improvement in simplicity, speed and cost with respect to usual separation techniques, allowing to properly quantifying these dyes obtaining limits of detection below 0.6mgL -1 . In addition, to the best of our knowledge, is the first time that kinetic-spectroscopic data are obtained from the action of laccase for analytical purposes. Copyright © 2017 Elsevier B.V. All rights reserved.

Transmissive Nanohole Arrays for Massively-Parallel Optical Biosensing

PubMed Central

2015-01-01

A high-throughput optical biosensing technique is proposed and demonstrated. This hybrid technique combines optical transmission of nanoholes with colorimetric silver staining. The size and spacing of the nanoholes are chosen so that individual nanoholes can be independently resolved in massive parallel using an ordinary transmission optical microscope, and, in place of determining a spectral shift, the brightness of each nanohole is recorded to greatly simplify the readout. Each nanohole then acts as an independent sensor, and the blocking of nanohole optical transmission by enzymatic silver staining defines the specific detection of a biological agent. Nearly 10000 nanoholes can be simultaneously monitored under the field of view of a typical microscope. As an initial proof of concept, biotinylated lysozyme (biotin-HEL) was used as a model analyte, giving a detection limit as low as 0.1 ng/mL. PMID:25530982

Electrochemical impedimetric sensor based on molecularly imprinted polymers/sol-gel chemistry for methidathion organophosphorous insecticide recognition.

PubMed

Bakas, Idriss; Hayat, Akhtar; Piletsky, Sergey; Piletska, Elena; Chehimi, Mohamed M; Noguer, Thierry; Rouillon, Régis

2014-12-01

We report here a novel method to detect methidathion organophosphorous insecticides. The sensing platform was architected by the combination of molecularly imprinted polymers and sol-gel technique on inexpensive, portable and disposable screen printed carbon electrodes. Electrochemical impedimetric detection technique was employed to perform the label free detection of the target analyte on the designed MIP/sol-gel integrated platform. The selection of the target specific monomer by electrochemical impedimetric methods was consistent with the results obtained by the computational modelling method. The prepared electrochemical MIP/sol-gel based sensor exhibited a high recognition capability toward methidathion, as well as a broad linear range and a low detection limit under the optimized conditions. Satisfactory results were also obtained for the methidathion determination in waste water samples. Copyright © 2014 Elsevier B.V. All rights reserved.

A review of microdialysis coupled to microchip electrophoresis for monitoring biological events

PubMed Central

Saylor, Rachel A.; Lunte, Susan M.

2015-01-01

Microdialysis is a powerful sampling technique that enables monitoring of dynamic processes in vitro and in vivo. The combination of microdialysis with chromatographic or electrophoretic methods yields along with selective detection methods yields a “separation-based sensor” capable of monitoring multiple analytes in near real time. Analysis of microdialysis samples requires techniques that are fast (<1 min), have low volume requirements (nL–pL), and, ideally, can be employed on-line. Microchip electrophoresis fulfills these requirements and also permits the possibility of integrating sample preparation and manipulation with detection strategies directly on-chip. Microdialysis coupled to microchip electrophoresis has been employed for monitoring biological events in vivo and in vitro. This review discusses technical considerations for coupling microdialysis sampling and microchip electrophoresis, including various interface designs, and current applications in the field. PMID:25637011

Pre-analytic and analytic sources of variations in thiopurine methyltransferase activity measurement in patients prescribed thiopurine-based drugs: A systematic review.

PubMed

Loit, Evelin; Tricco, Andrea C; Tsouros, Sophia; Sears, Margaret; Ansari, Mohammed T; Booth, Ronald A

2011-07-01

Low thiopurine S-methyltransferase (TPMT) enzyme activity is associated with increased thiopurine drug toxicity, particularly myelotoxicity. Pre-analytic and analytic variables for TPMT genotype and phenotype (enzyme activity) testing were reviewed. A systematic literature review was performed, and diagnostic laboratories were surveyed. Thirty-five studies reported relevant data for pre-analytic variables (patient age, gender, race, hematocrit, co-morbidity, co-administered drugs and specimen stability) and thirty-three for analytic variables (accuracy, reproducibility). TPMT is stable in blood when stored for up to 7 days at room temperature, and 3 months at -30°C. Pre-analytic patient variables do not affect TPMT activity. Fifteen drugs studied to date exerted no clinically significant effects in vivo. Enzymatic assay is the preferred technique. Radiochemical and HPLC techniques had intra- and inter-assay coefficients of variation (CVs) below 10%. TPMT is a stable enzyme, and its assay is not affected by age, gender, race or co-morbidity. Copyright © 2011. Published by Elsevier Inc.

Big Data Analytics with Datalog Queries on Spark.

PubMed

Shkapsky, Alexander; Yang, Mohan; Interlandi, Matteo; Chiu, Hsuan; Condie, Tyson; Zaniolo, Carlo

2016-01-01

There is great interest in exploiting the opportunity provided by cloud computing platforms for large-scale analytics. Among these platforms, Apache Spark is growing in popularity for machine learning and graph analytics. Developing efficient complex analytics in Spark requires deep understanding of both the algorithm at hand and the Spark API or subsystem APIs (e.g., Spark SQL, GraphX). Our BigDatalog system addresses the problem by providing concise declarative specification of complex queries amenable to efficient evaluation. Towards this goal, we propose compilation and optimization techniques that tackle the important problem of efficiently supporting recursion in Spark. We perform an experimental comparison with other state-of-the-art large-scale Datalog systems and verify the efficacy of our techniques and effectiveness of Spark in supporting Datalog-based analytics.

Big Data Analytics with Datalog Queries on Spark

PubMed Central

Shkapsky, Alexander; Yang, Mohan; Interlandi, Matteo; Chiu, Hsuan; Condie, Tyson; Zaniolo, Carlo

2017-01-01

There is great interest in exploiting the opportunity provided by cloud computing platforms for large-scale analytics. Among these platforms, Apache Spark is growing in popularity for machine learning and graph analytics. Developing efficient complex analytics in Spark requires deep understanding of both the algorithm at hand and the Spark API or subsystem APIs (e.g., Spark SQL, GraphX). Our BigDatalog system addresses the problem by providing concise declarative specification of complex queries amenable to efficient evaluation. Towards this goal, we propose compilation and optimization techniques that tackle the important problem of efficiently supporting recursion in Spark. We perform an experimental comparison with other state-of-the-art large-scale Datalog systems and verify the efficacy of our techniques and effectiveness of Spark in supporting Datalog-based analytics. PMID:28626296

Hyphenated and comprehensive liquid chromatography × gas chromatography-mass spectrometry for the identification of Mycobacterium tuberculosis.

PubMed

Mourão, Marta P B; Denekamp, Ilse; Kuijper, Sjoukje; Kolk, Arend H J; Janssen, Hans-Gerd

2016-03-25

Tuberculosis is one of the world's most emerging public health problems, particularly in developing countries. Chromatography based methods have been used to tackle this epidemic by focusing on biomarker detection. Unfortunately, interferences from lipids in the sputum matrix, particularly cholesterol, adversely affect the identification and detection of the marker compounds. The present contribution describes the serial combination of normal phase liquid chromatography (NPLC) with thermally assisted hydrolysis and methylation followed by gas chromatography-mass spectrometry (THM-GC-MS) to overcome the difficulties of biomarker evaluation. The in-series combination consists of an LC analysis where fractions are collected and then transferred to the THM-GC-MS system. This was either done with comprehensive coupling, transferring all the fractions, or with hyphenated interfacing, i.e. off-line multi heart-cutting, transferring only selected fractions. Owing to the high sensitivity and selectivity of LC as a sample pre-treatment method, and to the high specificity of the MS as a detector, this analytical approach, NPLC × THM-GC-MS, is extremely sensitive. The results obtained indicate that this analytical set-up is able to detect down to 1 × 10(3) mycobacteria/mL of Mycobacterium tuberculosis strain 124, spiked in blank sputum samples. It is a powerful analytical tool and also has great potential for full automation. If further studies demonstrate its usefulness when applied blind in real sputum specimens, this technique could compete with the current smear microscopy in the early diagnosis of tuberculosis. Copyright © 2015 Elsevier B.V. All rights reserved.

Analytical evaluation of the combined influence of polarization mode dispersion and group velocity dispersion on the bit error rate performance of optical homodyne quadrature phase-shift keying systems

NASA Astrophysics Data System (ADS)

Taher, Kazi Abu; Majumder, Satya Prasad

2017-12-01

A theoretical approach is presented to evaluate the bit error rate (BER) performance of an optical fiber transmission system with quadrature phase-shift keying (QPSK) modulation under the combined influence of polarization mode dispersion (PMD) and group velocity dispersion (GVD) in a single-mode fiber (SMF). The analysis is carried out without and with polarization division multiplexed (PDM) transmission considering a coherent homodyne receiver. The probability density function (pdf) of the random phase fluctuations due to PMD and GVD at the output of the receiver is determined analytically, considering the pdf of differential group delay (DGD) to be Maxwellian distribution and that of GVD to be Gaussian approximation. The exact pdf of the phase fluctuation due to PMD and GVD is also evaluated from its moments using a Monte Carlo simulation technique. Average BER is evaluated by averaging the conditional BER over the pdf of the random phase fluctuation. The BER performance results are evaluated for different system parameters. It is found that PDM-QPSK coherent homodyne system suffers more power penalty than the homodyne QPSK system without PDM. A PDM-QPSK system suffers a penalty of 4.3 dB whereas power penalty of QPSK system is 3.0 dB at a BER of 10-9 for DGD of 0.8 Tb and GVD of 1700 ps/nm. Analytical results are compared with the experimental results reported earlier and found to have good conformity.

Quantitative analysis of Sudan dye adulteration in paprika powder using FTIR spectroscopy.

PubMed

Lohumi, Santosh; Joshi, Ritu; Kandpal, Lalit Mohan; Lee, Hoonsoo; Kim, Moon S; Cho, Hyunjeong; Mo, Changyeun; Seo, Young-Wook; Rahman, Anisur; Cho, Byoung-Kwan

2017-05-01

As adulteration of foodstuffs with Sudan dye, especially paprika- and chilli-containing products, has been reported with some frequency, this issue has become one focal point for addressing food safety. FTIR spectroscopy has been used extensively as an analytical method for quality control and safety determination for food products. Thus, the use of FTIR spectroscopy for rapid determination of Sudan dye in paprika powder was investigated in this study. A net analyte signal (NAS)-based methodology, named HLA/GO (hybrid linear analysis in the literature), was applied to FTIR spectral data to predict Sudan dye concentration. The calibration and validation sets were designed to evaluate the performance of the multivariate method. The obtained results had a high determination coefficient (R 2 ) of 0.98 and low root mean square error (RMSE) of 0.026% for the calibration set, and an R 2 of 0.97 and RMSE of 0.05% for the validation set. The model was further validated using a second validation set and through the figures of merit, such as sensitivity, selectivity, and limits of detection and quantification. The proposed technique of FTIR combined with HLA/GO is rapid, simple and low cost, making this approach advantageous when compared with the main alternative methods based on liquid chromatography (LC) techniques.

Analytical Parameters of an Amperometric Glucose Biosensor for Fast Analysis in Food Samples

PubMed Central

2017-01-01

Amperometric biosensors based on the use of glucose oxidase (GOx) are able to combine the robustness of electrochemical techniques with the specificity of biological recognition processes. However, very little information can be found in literature about the fundamental analytical parameters of these sensors. In this work, the analytical behavior of an amperometric biosensor based on the immobilization of GOx using a hydrogel (Chitosan) onto highly ordered titanium dioxide nanotube arrays (TiO2NTAs) has been evaluated. The GOx–Chitosan/TiO2NTAs biosensor showed a sensitivity of 5.46 μA·mM−1 with a linear range from 0.3 to 1.5 mM; its fundamental analytical parameters were studied using a commercial soft drink. The obtained results proved sufficient repeatability (RSD = 1.9%), reproducibility (RSD = 2.5%), accuracy (95–105% recovery), and robustness (RSD = 3.3%). Furthermore, no significant interferences from fructose, ascorbic acid and citric acid were obtained. In addition, the storage stability was further examined, after 30 days, the GOx–Chitosan/TiO2NTAs biosensor retained 85% of its initial current response. Finally, the glucose content of different food samples was measured using the biosensor and compared with the respective HPLC value. In the worst scenario, a deviation smaller than 10% was obtained among the 20 samples evaluated. PMID:29135931

Immobilized aptamer paper spray ionization source for ion mobility spectrometry.

PubMed

Zargar, Tahereh; Khayamian, Taghi; Jafari, Mohammad T

2017-01-05

A selective thin-film microextraction based on aptamer immobilized on cellulose paper was used as a paper spray ionization source for ion mobility spectrometry (PSI-IMS), for the first time. In this method, the paper is not only used as an ionization source but also it is utilized for the selective extraction of analyte, based on immobilized aptamer. This combination integrates both sample preparation and analyte ionization in a Whatman paper. To that end, an appropriate sample introduction system with a novel design was constructed for the paper spray ionization source. Using this system, a continuous solvent flow works as an elution and spray solvent simultaneously. In this method, analyte is adsorbed on a triangular paper with immobilized aptamer and then it is desorbed and ionized by elution solvent and applied high voltage on paper, respectively. The effects of different experimental parameters such as applied voltage, angle of paper tip, distance between paper tip and counter electrode, elution solvent type, and solvent flow rate were optimized. The proposed method was exhaustively validated in terms of sensitivity and reproducibility by analyzing the standard solutions of codeine and acetamiprid. The analytical results obtained are promising enough to ensure the use of immobilized aptamer paper-spray as both the extraction and ionization techniques in IMS for direct analysis of biomedicine. Copyright © 2016 Elsevier B.V. All rights reserved.

A hybrid perturbation-Galerkin technique for partial differential equations

NASA Technical Reports Server (NTRS)

Geer, James F.; Anderson, Carl M.

1990-01-01

A two-step hybrid perturbation-Galerkin technique for improving the usefulness of perturbation solutions to partial differential equations which contain a parameter is presented and discussed. In the first step of the method, the leading terms in the asymptotic expansion(s) of the solution about one or more values of the perturbation parameter are obtained using standard perturbation methods. In the second step, the perturbation functions obtained in the first step are used as trial functions in a Bubnov-Galerkin approximation. This semi-analytical, semi-numerical hybrid technique appears to overcome some of the drawbacks of the perturbation and Galerkin methods when they are applied by themselves, while combining some of the good features of each. The technique is illustrated first by a simple example. It is then applied to the problem of determining the flow of a slightly compressible fluid past a circular cylinder and to the problem of determining the shape of a free surface due to a sink above the surface. Solutions obtained by the hybrid method are compared with other approximate solutions, and its possible application to certain problems associated with domain decomposition is discussed.

Data Filtering in Instrumental Analyses with Applications to Optical Spectroscopy and Chemical Imaging

ERIC Educational Resources Information Center

Vogt, Frank

2011-01-01

Most measurement techniques have some limitations imposed by a sensor's signal-to-noise ratio (SNR). Thus, in analytical chemistry, methods for enhancing the SNR are of crucial importance and can be ensured experimentally or established via pre-treatment of digitized data. In many analytical curricula, instrumental techniques are given preference…

Is Quality/Effectiveness An Empirically Demonstrable School Attribute? Statistical Aids for Determining Appropriate Levels of Analysis.

ERIC Educational Resources Information Center

Griffith, James

2002-01-01

Describes and demonstrates analytical techniques used in organizational psychology and contemporary multilevel analysis. Using these analytic techniques, examines the relationship between educational outcomes and the school environment. Finds that at least some indicators might be represented as school-level phenomena. Results imply that the…

The organic materials in the Five Northern Provinces' Assembly Hall: disclosing the painting technique of the Qing dynasty painters in civil buildings

NASA Astrophysics Data System (ADS)

Lluveras-Tenorio, A.; Bonaduce, I.; Sabatini, F.; Degano, I.; Blaensdorf, C.; Pouyet, E.; Cotte, M.; Ma, L.; Colombini, M. P.

2015-11-01

The beiwusheng huiguan (`Meeting hall of the Five Northern Dynasties') is a building complex from the Qing dynasty (1636-1912 ad) located in Wafangdian, near Ziyang, in the south of the Chinese Province of Shaanxi. Two of the preserved halls are richly decorated with wall paintings dated probably in 1848 ad and representing scenes of the `Romance of the Three Kingdoms' and Confucian moral tales. They are a rare example of well-preserved mural paintings of high artistic value inside civil buildings. The aims of this paper are the chemical characterization and localization of organic materials used as binders and colorants in the wall paintings. A multi-analytical approach, consisting in the combined use of gas chromatographic-mass spectrometric techniques (GC/MS and Py-GC/MS) and high-pressure liquid chromatography with diode array detector (HPLC-DAD), was chosen for these purposes. Proteinaceous materials (animal glue and egg), saccharide material (fruit tree gum) and a siccative oil were identified in different paint layers supplying invaluable information about the painting technique used. Moreover, the analyses of organic dyes allowed identifying indigo and gallic acid in more than one sample adding fundamental information about Chinese artists' techniques in mural paintings, missing from the previous studies. To shed light on the gilding technique, the distribution of the painting materials was achieved by means of synchrotron radiation Fourier transform infrared spectroscopy (SR micro-FTIR) and X-ray fluorescence (SR micro-XRF). The results obtained from the multi-analytical approach enabled us to determine the organic materials both binders and organic colorants used by Chinese artisans, highlighting the high technical level achieved in nineteenth century. The binding media and the organic colorants identified, as well as their distribution, allowed the discussion on the painting technique used by the artists of the Qing dynasty giving information for the first time about the decoration of Chinese civil buildings.

A comprehensive high-resolution mass spectrometry approach for characterization of metabolites by combination of ambient ionization, chromatography and imaging methods.

PubMed

Berisha, Arton; Dold, Sebastian; Guenther, Sabine; Desbenoit, Nicolas; Takats, Zoltan; Spengler, Bernhard; Römpp, Andreas

2014-08-30

An ideal method for bioanalytical applications would deliver spatially resolved quantitative information in real time and without sample preparation. In reality these requirements can typically not be met by a single analytical technique. Therefore, we combine different mass spectrometry approaches: chromatographic separation, ambient ionization and imaging techniques, in order to obtain comprehensive information about metabolites in complex biological samples. Samples were analyzed by laser desorption followed by electrospray ionization (LD-ESI) as an ambient ionization technique, by matrix-assisted laser desorption/ionization (MALDI) mass spectrometry imaging for spatial distribution analysis and by high-performance liquid chromatography/electrospray ionization mass spectrometry (HPLC/ESI-MS) for quantitation and validation of compound identification. All MS data were acquired with high mass resolution and accurate mass (using orbital trapping and ion cyclotron resonance mass spectrometers). Grape berries were analyzed and evaluated in detail, whereas wheat seeds and mouse brain tissue were analyzed in proof-of-concept experiments. In situ measurements by LD-ESI without any sample preparation allowed for fast screening of plant metabolites on the grape surface. MALDI imaging of grape cross sections at 20 µm pixel size revealed the detailed distribution of metabolites which were in accordance with their biological function. HPLC/ESI-MS was used to quantify 13 anthocyanin species as well as to separate and identify isomeric compounds. A total of 41 metabolites (amino acids, carbohydrates, anthocyanins) were identified with all three approaches. Mass accuracy for all MS measurements was better than 2 ppm (root mean square error). The combined approach provides fast screening capabilities, spatial distribution information and the possibility to quantify metabolites. Accurate mass measurements proved to be critical in order to reliably combine data from different MS techniques. Initial results on the mycotoxin deoxynivalenol (DON) in wheat seed and phospholipids in mouse brain as a model for mammalian tissue indicate a broad applicability of the presented workflow. Copyright © 2014 John Wiley & Sons, Ltd.

Techniques for recognizing identity of several response functions from the data of visual inspection

NASA Astrophysics Data System (ADS)

Nechval, Nicholas A.

1996-08-01

The purpose of this paper is to present some efficient techniques for recognizing from the observed data whether several response functions are identical to each other. For example, in an industrial setting the problem may be to determine whether the production coefficients established in a small-scale pilot study apply to each of several large- scale production facilities. The techniques proposed here combine sensor information from automated visual inspection of manufactured products which is carried out by means of pixel-by-pixel comparison of the sensed image of the product to be inspected with some reference pattern (or image). Let (a1, . . . , am) be p-dimensional parameters associated with m response models of the same type. This study is concerned with the simultaneous comparison of a1, . . . , am. A generalized maximum likelihood ratio (GMLR) test is derived for testing equality of these parameters, where each of the parameters represents a corresponding vector of regression coefficients. The GMLR test reduces to an equivalent test based on a statistic that has an F distribution. The main advantage of the test lies in its relative simplicity and the ease with which it can be applied. Another interesting test for the same problem is an application of Fisher's method of combining independent test statistics which can be considered as a parallel procedure to the GMLR test. The combination of independent test statistics does not appear to have been used very much in applied statistics. There does, however, seem to be potential data analytic value in techniques for combining distributional assessments in relation to statistically independent samples which are of joint experimental relevance. In addition, a new iterated test for the problem defined above is presented. A rejection of the null hypothesis by this test provides some reason why all the parameters are not equal. A numerical example is discussed in the context of the proposed procedures for hypothesis testing.

Single Particle-Inductively Coupled Plasma Mass Spectroscopy Analysis of Metallic Nanoparticles in Environmental Samples with Large Dissolved Analyte Fractions.

PubMed

Schwertfeger, D M; Velicogna, Jessica R; Jesmer, Alexander H; Scroggins, Richard P; Princz, Juliska I

2016-10-18

There is an increasing interest to use single particle-inductively coupled plasma mass spectroscopy (SP-ICPMS) to help quantify exposure to engineered nanoparticles, and their transformation products, released into the environment. Hindering the use of this analytical technique for environmental samples is the presence of high levels of dissolved analyte which impedes resolution of the particle signal from the dissolved. While sample dilution is often necessary to achieve the low analyte concentrations necessary for SP-ICPMS analysis, and to reduce the occurrence of matrix effects on the analyte signal, it is used here to also reduce the dissolved signal relative to the particulate, while maintaining a matrix chemistry that promotes particle stability. We propose a simple, systematic dilution series approach where by the first dilution is used to quantify the dissolved analyte, the second is used to optimize the particle signal, and the third is used as an analytical quality control. Using simple suspensions of well characterized Au and Ag nanoparticles spiked with the dissolved analyte form, as well as suspensions of complex environmental media (i.e., extracts from soils previously contaminated with engineered silver nanoparticles), we show how this dilution series technique improves resolution of the particle signal which in turn improves the accuracy of particle counts, quantification of particulate mass and determination of particle size. The technique proposed here is meant to offer a systematic and reproducible approach to the SP-ICPMS analysis of environmental samples and improve the quality and consistency of data generated from this relatively new analytical tool.

Word aligned bitmap compression method, data structure, and apparatus

DOEpatents

Wu, Kesheng; Shoshani, Arie; Otoo, Ekow

2004-12-14

The Word-Aligned Hybrid (WAH) bitmap compression method and data structure is a relatively efficient method for searching and performing logical, counting, and pattern location operations upon large datasets. The technique is comprised of a data structure and methods that are optimized for computational efficiency by using the WAH compression method, which typically takes advantage of the target computing system's native word length. WAH is particularly apropos to infrequently varying databases, including those found in the on-line analytical processing (OLAP) industry, due to the increased computational efficiency of the WAH compressed bitmap index. Some commercial database products already include some version of a bitmap index, which could possibly be replaced by the WAH bitmap compression techniques for potentially increased operation speed, as well as increased efficiencies in constructing compressed bitmaps. Combined together, this technique may be particularly useful for real-time business intelligence. Additional WAH applications may include scientific modeling, such as climate and combustion simulations, to minimize search time for analysis and subsequent data visualization.

Demonstration of the feasibility of an integrated x ray laboratory for planetary exploration

NASA Technical Reports Server (NTRS)

Franco, E. D.; Kerner, J. A.; Koppel, L. N.; Boyle, M. J.

1993-01-01

The identification of minerals and elemental compositions is an important component in the geological and exobiological exploration of the solar system. X ray diffraction and fluorescence are common techniques for obtaining these data. The feasibility of combining these analytical techniques in an integrated x ray laboratory compatible with the volume, mass, and power constraints imposed by many planetary missions was demonstrated. Breadboard level hardware was developed to cover the range of diffraction lines produced by minerals, clays, and amorphous; and to detect the x ray fluorescence emissions of elements from carbon through uranium. These breadboard modules were fabricated and used to demonstrate the ability to detect elements and minerals. Additional effort is required to establish the detection limits of the breadboard modules and to integrate diffraction and fluorescence techniques into a single unit. It was concluded that this integrated x ray laboratory capability will be a valuable tool in the geological and exobiological exploration of the solar system.