Effect of magnetic field strength on NMR-based metabonomic human urine data. Comparative study of 250, 400, 500, and 800 MHz

DEFF Research Database (Denmark)

Bertram, Hanne Christine; Malmendal, Anders; Petersen, Bent O.

2007-01-01

Metabonomic analysis of urine utilizing high-resolution NMR spectroscopy and chemometric techniques has proven valuable in characterizing the biochemical response to an intervention. To assess the effect of magnetic field strength on information contained in NMR-based metabonomic data sets, 1H NMR...

Metabonomics-based omics study and atherosclerosis

OpenAIRE

Wu, Duo-jiao; Zhu, Bi-jun; Wang, Xiang-dong

2011-01-01

Atherosclerosis results from dyslipidemia and systemic inflammation, associated with the strong metabolism and interaction between diet and disease. Strategies based on the global profiling of metabolism would be important to define the mechanisms involved in pathological alterations. Metabonomics is the quantitative measurement of the dynamic multiparametric metabolic response of living systems to pathophysiological stimuli or genetic modification. Metabonomics has been used in combination w...

Application of Metabonomics in Early Diagnosis of Diseases

Directory of Open Access Journals (Sweden)

Qiao LIU

2015-06-01

Full Text Available With the development of life sciences, people have changed their focus from local research to systematic biology, thus contributing to the development of a series of “omics”, including genomics, transcriptomics, proteomics and metabonomics, etc. Metabonomics is a presently developed new branch of science that can provide qualitative and quantitative analysis on all metabolites with low-molecular quality in the body, tissues or cells of an organism. It recognizes the changes and rules of the biological endogenous substance under the impact of internal and external factors by generally and quantitatively detecting multiple small molecular compounds in biological samples, in hope of finding out the metabolic marker clusters in the early stage of diseases so as to provide new pathways for the early diagnosis of the diseases and the realization of individualized drug administration. Additionally, metabonomics research on clinical diseases has become a hot topic and made great achievement in the developmental condition, diagnostic methods, pathogenic mechanism and pharmaceutical efficacy evaluation of diseases. This study mainly reviewed the application and advances of metabonomics in the early diagnosis of malignant tumors, cardiovascular and respiratory diseases, hoping to provide references and prompts for metabonomics-associated researches.

Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide

International Nuclear Information System (INIS)

Maddox, Jane F.; Luyendyk, James P.; Cosma, Gregory N.; Breau, Alan P.; Bible, Roy H.; Harrigan, George G.; Goodacre, Royston; Ganey, Patricia E.; Cantor, Glenn H.; Cockerell, Gary L.; Roth, Robert A.

2006-01-01

Idiosyncratic liver injury occurs in a small fraction of people on certain drug regimens. The cause of idiosyncratic hepatotoxicity is not known; however, it has been proposed that environmental factors such as concurrent inflammation initiated by bacterial lipopolysaccharide (LPS) increase an individual's susceptibility to drug toxicity. Ranitidine (RAN), a histamine-2 receptor antagonist, causes idiosyncratic liver injury in humans. In a previous report, idiosyncrasy-like liver toxicity was created in rats by cotreating them with LPS and RAN. In the present study, the ability of metabonomic techniques to distinguish animals cotreated with LPS and RAN from those treated with each agent individually was investigated. Rats were treated with LPS or its vehicle and with RAN or its vehicle, and urine was collected for nuclear magnetic resonance (NMR)- and mass spectroscopy-based metabonomic analyses. Blood and liver samples were also collected to compare metabonomic results with clinical chemistry and histopathology. NMR metabonomic analysis indicated changes in the pattern of metabolites consistent with liver damage that occurred only in the LPS/RAN cotreated group. Principal component analysis of urine spectra by either NMR or mass spectroscopy produced a clear separation of the rats treated with LPS/RAN from the other three groups. Clinical chemistry (serum alanine aminotransferase and aspartate aminotransferase activities) and histopathology corroborated these results. These findings support the potential use of a noninvasive metabonomic approach to identify drug candidates with potential to cause idiosyncratic liver toxicity with inflammagen coexposure

Deciphering metabonomics biomarkers-targets interactions for psoriasis vulgaris by network pharmacology.

Science.gov (United States)

Gu, Jiangyong; Li, Li; Wang, Dongmei; Zhu, Wei; Han, Ling; Zhao, Ruizhi; Xu, Xiaojie; Lu, Chuanjian

2018-06-01

Psoriasis vulgaris is a chronic inflammatory and immune-mediated skin disease. 44 metabonomics biomarkers were identified by high-throughput liquid chromatography coupled to mass spectrometry in our previous work, but the roles of metabonomics biomarkers in the pathogenesis of psoriasis is unclear. The metabonomics biomarker-enzyme network was constructed. The key metabonomics biomarkers and enzymes were screened out by network analysis. The binding affinity between each metabonomics biomarker and target was calculated by molecular docking. A binding energy-weighted polypharmacological index was introduced to evaluate the importance of target-related pathways. Long-chain fatty acids, phospholipids, Estradiol and NADH were the most important metabonomics biomarkers. Most key enzymes belonged hydrolase, thioesterase and acyltransferase. Six proteins (TNF-alpha, MAPK3, iNOS, eNOS, COX2 and mTOR) were extensively involved in inflammatory reaction, immune response and cell proliferation, and might be drug targets for psoriasis. PI3K-Akt signaling pathway and five other pathways had close correlation with the pathogenesis of psoriasis and could deserve further research. The inflammatory reaction, immune response and cell proliferation are mainly involved in psoriasis. Network pharmacology provide a new insight into the relationships between metabonomics biomarkers and the pathogenesis of psoriasis. KEY MESSAGES   • Network pharmacology was adopted to identify key metabonomics biomarkers and enzymes.   • Six proteins were screened out as important drug targets for psoriasis.   • A binding energy-weighted polypharmacological index was introduced to evaluate the importance of target-related pathways.

Potential effect of diaper and cotton ball contamination on NMR- and LC/MS-based metabonomics studies of urine from newborn babies.

Science.gov (United States)

Goodpaster, Aaron M; Ramadas, Eshwar H; Kennedy, Michael A

2011-02-01

Nuclear magnetic resonance (NMR) and liquid chromatography/mass spectrometry (LC/MS) based metabonomics screening of urine has great potential for discovery of biomarkers for diseases that afflict newborn and preterm infants. However, urine collection from newborn infants presents a potential confounding problem due to the possibility that contaminants might leach from materials used for urine collection and influence statistical analysis of metabonomics data. In this manuscript, we have analyzed diaper and cotton ball contamination using synthetic urine to assess its potential to influence the outcome of NMR- and LC/MS-based metabonomics studies of human infant urine. Eight diaper brands were examined using the "diaper plus cotton ball" technique. Data were analyzed using conventional principal components analysis, as well as a statistical significance algorithm developed for, and applied to, NMR data. Results showed most diaper brands had distinct contaminant profiles that could potentially influence NMR- and LC/MS-based metabonomics studies. On the basis of this study, it is recommended that diaper and cotton ball brands be characterized using metabonomics methodologies prior to initiating a metabonomics study to ensure that contaminant profiles are minimal or manageable and that the same diaper and cotton ball brands be used throughout a study to minimize variation.

Serum Metabonomics of Mild Acute Pancreatitis.

Science.gov (United States)

Xu, Hongmin; Zhang, Lei; Kang, Huan; Zhang, Jiandong; Liu, Jie; Liu, Shuye

2016-11-01

Mild acute pancreatitis (MAP) is a common acute abdominal disease, and exhibits rising incidence in recent decades. As an important component of systemic biology, metabonomics is a new discipline developed following genomics and proteomics. In this study, the objective was to analyze the serum metabonomics of patients with MAP, aiming to screen metabolic markers with potential diagnostic values. An analysis platform with ultra performance liquid chromatography-high-resolution mass spectrometry was used to screen the difference metabolites related to MAP diagnosis and disease course monitoring. A total of 432 endogenous metabolites were screened out from 122 serum samples, and 49 difference metabolites were verified, among which 12 difference metabolites were identified by nonparametric test. After material identification, eight metabolites exhibited reliable results, and their levels in MAP serum were higher than those in healthy serum. Four metabolites exhibited gradual downward trend with treatment process going on, and the differences were statistically significant (P Metabonomic analysis has revealed eight metabolites with potential diagnostic values toward MAP, among which four metabolites can be used to monitor the disease course. © 2016 Wiley Periodicals, Inc.

[Perspective and application of metabonomics in modern study of traditional Chinese medicine].

Science.gov (United States)

Qin, Kun-Ming; Wang, Bin; Chen, Lin-Wei; Zhang, Mao-Sen; Yang, Guang-Ming; Shu, Ya-Chun; Cai, Bao-Chang

2014-08-01

Metabonomics is a new method to study on the metabolic network and the relationship between body and environment, which conforms to the way of traditional Chinese medicine (TCM) research. In the study process of modernization of traditional Chinese medicine, effectively conjunction with metabonomics method will facilitate the integration of TCM with modern biological science and technology, and promote the modernization of TCM. This paper introduce the application of metabonomics in the research of toxicity mechanism of TCM, compatibility mechanism of TCM formula, pharmacology effect of TCM and processing mechanism of TCM. This paper summarize the problems in the TCM metabonomics research and prospect its bright future.

Intergrated metabonomic study of the effects of Guizhi Fuling capsule intervention on primary dysmenorrheal using RP-UPLC-MS complementary with HILIC-UPLC-MS technique.

Science.gov (United States)

Lang, Lang; Meng, Zhaorui; Sun, Lan; Xiao, Wei; Zhao, Longshan; Xiong, Zhili

2018-02-01

Guizhi Fuling capsule (GFC), developed from the traditional Chinese prescription of Guizhi Fuling Wan, has been commonly used for the treatment of primary dysmenorrhea (PD). However, the intervention effective mechanism in vivo has not been well elucidated. In this study, an integrated plasma metabonomic strategy based on RP-UPLC-MS coupled with HILIC-UPLC-MS technique has been developed to investigate the global therapeutic effects and intervention mechanisms of GFC on dysmenorrhea rats induced by oxytocin. The 20 potential biomarkers were identified and primarily related to sphingolipid metabolism, steroid hormone biosynthesis, glycerophospholipid metabolism, amino acid metabolism, lipid metabolism and energy metabolism. The results showed that the GFC has therapeutic effects on rats with dysmenorrhea via the regulation of multiple metabolic pathways. Some new potential biomarkers associated with primary dysmenorrhea such as phenylalanine, tryptophan, taurine, carnitine, betaine, creatine and creatinine have been discovered in this study for the first time. This study provides a metabonomic platform based on RP-UPLC-MS complementary to HILIC-UPLC-MS technique to investigate both nonpolar and polar compounds, so as to get a more comprehensive metabolite information to yield insight into the pathophysiology of PD and assessing the efficacy of GFC on PD rats. Copyright © 2017 John Wiley & Sons, Ltd.

Technology insight: metabonomics in gastroenterology-basic principles and potential clinical applications

DEFF Research Database (Denmark)

Bjerrum, Jacob Tveiten; Nielsen, Ole H; Wang, Yulan L

2008-01-01

Metabonomics-the study of metabolic changes in an integrated biologic system-is an emerging field. This discipline joins the other 'omics' (genomics, transcriptomics and proteomics) to give rise to a comprehensive, systems-biology approach to the evaluation of holistic in vivo function. Metabonom......Metabonomics-the study of metabolic changes in an integrated biologic system-is an emerging field. This discipline joins the other 'omics' (genomics, transcriptomics and proteomics) to give rise to a comprehensive, systems-biology approach to the evaluation of holistic in vivo function...

Metabonomics in neonatal nutrition research

Directory of Open Access Journals (Sweden)

Serge Rezzi

2015-10-01

Full Text Available Maternal obesity and early post-natal nutrition might associate with increased obesity risk in later life. We have investigated the effect of breastfeeding and infant formulas differing in protein content on the urinary and fecal metabolism of term infants born from overweight and obese mothers using a metabonomic approach. Metabolic differences were observed between breast and formula fed infants both in urine and stool samples. Metabolic profiles of formula fed infants exhibited a distinct metabolic pattern that was associated with the processing of dietary proteins from the host and the gut microbiota. Metabonomics appears as a powerful tool to measure the physiological response to infant formula versus the gold standard breastfeeding. In future, nutritional phenotyping will combine metabonomics and nutritional profiling to study specific nutritional requirements and measure the efficacy of tailored nutritional interventions on growth and development endpoints. It will then open novel opportunities to develop targeted nutritional solutions for health maintenance and disease prevention. Proceedings of the 11th International Workshop on Neonatology and Satellite Meetings · Cagliari (Italy · October 26th-31st, 2015 · From the womb to the adultGuest Editors: Vassilios Fanos (Cagliari, Italy, Michele Mussap (Genoa, Italy, Antonio Del Vecchio (Bari, Italy, Bo Sun (Shanghai, China, Dorret I. Boomsma (Amsterdam, the Netherlands, Gavino Faa (Cagliari, Italy, Antonio Giordano (Philadelphia, USA

Application of Metabonomics in Early Diagnosis of Diseases

OpenAIRE

Qiao LIU

2015-01-01

With the development of life sciences, people have changed their focus from local research to systematic biology, thus contributing to the development of a series of “omics”, including genomics, transcriptomics, proteomics and metabonomics, etc. Metabonomics is a presently developed new branch of science that can provide qualitative and quantitative analysis on all metabolites with low-molecular quality in the body, tissues or cells of an organism. It recognizes the changes and rules of the b...

Recent developments in sample preparation and data pre-treatment in metabonomics research.

Science.gov (United States)

Li, Ning; Song, Yi peng; Tang, Huiru; Wang, Yulan

2016-01-01

Metabonomics is a powerful approach for biomarker discovery and an effective tool for pinpointing endpoint metabolic effects of external stimuli, such as pathogens and disease development. Due to its wide applications, metabonomics is required to deal with various biological samples of different properties. Hence sample preparation and corresponding data pre-treatment become important factors in ensuring validity of an investigation. In this review, we summarize some recent developments in metabonomics sample preparation and data-pretreatment procedures. Copyright © 2015 Elsevier Inc. All rights reserved.

[Development and Application of Metabonomics in Forensic Toxicology].

Science.gov (United States)

Yan, Hui; Shen, Min

2015-06-01

Metabonomics is an important branch of system biology following the development of genomics, transcriptomics and proteomics. It can perform high-throughput detection and data processing with multiple parameters, potentially enabling the identification and quantification of all small metabolites in a biological system. It can be used to provide comprehensive information on the toxicity effects, toxicological mechanisms and biomarkers, sensitively finding the unusual metabolic changes caused by poison. This article mainly reviews application of metabonomics in toxicological studies of abused drugs, pesticides, poisonous plants and poisonous animals, and also illustrates the new direction of forensic toxicology research.

A novel R-package graphic user interface for the analysis of metabonomic profiles

Directory of Open Access Journals (Sweden)

Villa Palmira

2009-10-01

Full Text Available Abstract Background Analysis of the plethora of metabolites found in the NMR spectra of biological fluids or tissues requires data complexity to be simplified. We present a graphical user interface (GUI for NMR-based metabonomic analysis. The "Metabonomic Package" has been developed for metabonomics research as open-source software and uses the R statistical libraries. Results The package offers the following options: Raw 1-dimensional spectra processing: phase, baseline correction and normalization. Importing processed spectra. Including/excluding spectral ranges, optional binning and bucketing, detection and alignment of peaks. Sorting of metabolites based on their ability to discriminate, metabolite selection, and outlier identification. Multivariate unsupervised analysis: principal components analysis (PCA. Multivariate supervised analysis: partial least squares (PLS, linear discriminant analysis (LDA, k-nearest neighbor classification. Neural networks. Visualization and overlapping of spectra. Plot values of the chemical shift position for different samples. Furthermore, the "Metabonomic" GUI includes a console to enable other kinds of analyses and to take advantage of all R statistical tools. Conclusion We made complex multivariate analysis user-friendly for both experienced and novice users, which could help to expand the use of NMR-based metabonomics.

Exploring Airway Diseases by NMR-Based Metabonomics: A Review of Application to Exhaled Breath Condensate

Directory of Open Access Journals (Sweden)

Matteo Sofia

2011-01-01

Full Text Available There is increasing evidence that biomarkers of exhaled gases or exhaled breath condensate (EBC may help in detecting abnormalities in respiratory diseases mirroring increased, oxidative stress, airways inflammation and endothelial dysfunction. Beside the traditional techniques to investigate biomarker profiles, “omics” sciences have raised interest in the clinical field as potentially improving disease phenotyping. In particular, metabonomics appears to be an important tool to gain qualitative and quantitative information on low-molecular weight metabolites present in cells, tissues, and fluids. Here, we review the potential use of EBC as a suitable matrix for metabonomic studies using nuclear magnetic resonance (NMR spectroscopy. By using this approach in airway diseases, it is now possible to separate specific EBC profiles, with implication in disease phenotyping and personalized therapy.

Nuclear techniques in analytical chemistry

CERN Document Server

Moses, Alfred J; Gordon, L

1964-01-01

Nuclear Techniques in Analytical Chemistry discusses highly sensitive nuclear techniques that determine the micro- and macro-amounts or trace elements of materials. With the increasingly frequent demand for the chemical determination of trace amounts of elements in materials, the analytical chemist had to search for more sensitive methods of analysis. This book accustoms analytical chemists with nuclear techniques that possess the desired sensitivity and applicability at trace levels. The topics covered include safe handling of radioactivity; measurement of natural radioactivity; and neutron a

Non-invasively predicting differentiation of pancreatic cancer through comparative serum metabonomic profiling.

Science.gov (United States)

Wen, Shi; Zhan, Bohan; Feng, Jianghua; Hu, Weize; Lin, Xianchao; Bai, Jianxi; Huang, Heguang

2017-11-02

The differentiation of pancreatic ductal adenocarcinoma (PDAC) could be associated with prognosis and may influence the choices of clinical management. No applicable methods could reliably predict the tumor differentiation preoperatively. Thus, the aim of this study was to compare the metabonomic profiling of pancreatic ductal adenocarcinoma with different differentiations and assess the feasibility of predicting tumor differentiations through metabonomic strategy based on nuclear magnetic resonance spectroscopy. By implanting pancreatic cancer cell strains Panc-1, Bxpc-3 and SW1990 in nude mice in situ, we successfully established the orthotopic xenograft models of PDAC with different differentiations. The metabonomic profiling of serum from different PDAC was achieved and analyzed by using 1 H nuclear magnetic resonance (NMR) spectroscopy combined with the multivariate statistical analysis. Then, the differential metabolites acquired were used for enrichment analysis of metabolic pathways to get a deep insight. An obvious metabonomic difference was demonstrated between all groups and the pattern recognition models were established successfully. The higher concentrations of amino acids, glycolytic and glutaminolytic participators in SW1990 and choline-contain metabolites in Panc-1 relative to other PDAC cells were demonstrated, which may be served as potential indicators for tumor differentiation. The metabolic pathways and differential metabolites identified in current study may be associated with specific pathways such as serine-glycine-one-carbon and glutaminolytic pathways, which can regulate tumorous proliferation and epigenetic regulation. The NMR-based metabonomic strategy may be served as a non-invasive detection method for predicting tumor differentiation preoperatively.

NMR-based metabonomic analysis of the hepatotoxicity induced by combined exposure to PCBs and TCDD in rats

International Nuclear Information System (INIS)

Lu Chunfeng; Wang Yimei; Sheng Zhiguo; Liu Gang; Fu Ze; Zhao Jing; Zhao Jun; Yan Xianzhong; Zhu Benzhan; Peng Shuangqing

2010-01-01

A metabonomic approach using 1 H NMR spectroscopy was adopted to investigate the metabonomic pattern of rat urine after oral administration of environmental endocrine disruptors (EDs) polychlorinated biphenyls (PCBs) and 2,3,7,8-tetrachlorodibenzo- p-dioxin (TCDD) alone or in combination and to explore the possible hepatotoxic mechanisms of combined exposure to PCBs and TCDD. 1 H NMR spectra of urines collected 24 h before and after exposure were analyzed via pattern recognition by using principal component analysis (PCA). Serum biochemistry and liver histopathology indicated significant hepatotoxicity in the rats of the combined group. The PCA scores plots of urinary 1 H NMR data showed that all the treatment groups could be easily distinguished from the control group, so could the PCBs or TCDD group and the combined group. The loadings plots of the PCA revealed remarkable increases in the levels of lactate, glucose, taurine, creatine, and 2-hydroxy-isovaleric acid and reductions in the levels of 2-oxoglutarate, citrate, succinate, hippurate, and trimethylamine-N-oxide in rat urine after exposure. These changes were more striking in the combined group. The changed metabolites may be considered possible biomarker for the hepatotoxicity. The present study demonstrates that combined exposure to PCBs and TCDD induced significant hepatotoxicity in rats, and mitochondrial dysfunction and fatty acid metabolism perturbations might contribute to the hepatotoxicity. There was good conformity between changes in the urine metabonomic pattern and those in serum biochemistry and liver histopathology. These results showed that the NMR-based metabonomic approach may provide a promising technique for the evaluation of the combined toxicity of EDs.

Metabolic Profiling of Primary and Secondary Biosynthetic Pathways in Angiosperms: Comparative Metabonomics and Applications of Hyphenated LC-NMR and LC-MS

OpenAIRE

Kaiser, Kayla Anne

2012-01-01

The goal of this dissertation was to advance plant metabolomics through optimization of biological experimental design, sampling and sample preparation, data acquisition and pre-processing, and multivariable data analysis. The analytical platform most employed for comparative metabonomics was nuclear magnetic resonance (NMR). Liquid-chromatography (LC) coupled to NMR and mass spectrometry (MS) extended metabolic profile coverage from primary into secondary metabolic pathways. Comparative p...

Analysis and analytical techniques

Energy Technology Data Exchange (ETDEWEB)

Batuecas Rodriguez, T [Department of Chemistry and Isotopes, Junta de Energia Nuclear, Madrid (Spain)

1967-01-01

The technology associated with the use of organic coolants in nuclear reactors depends to a large extent on the determination and control of their physical and chemical properties, and particularly on the viability, speed, sensitivity, precision and accuracy (depending on the intended usage) of the methods employed in detection and analytical determination. This has led to the study and development of numerous techniques, some specially designed for the extreme conditions involved in working with the types of product in question and others adapted from existing techniques. In the specific case of polyphenyl and hydropolyphenyl mixtures, which have been the principal subjects of study to date and offer greatest promise, the analytical problems are broadly as follows: Composition of initial product or virgin coolant composition of macro components and amounts of organic and inorganic impurities; Coolant during and after operation. Determination of gases and organic compounds produced by pyrolysis and radiolysis (degradation and polymerization products); Control of systems for purifying and regenerating the coolant after use. Dissolved pressurization gases; Detection of intermediate products during decomposition; these are generally very unstable (free radicals); Degree of fouling and film formation. Tests to determine potential formation of films; Corrosion of structural elements and canning materials; Health and safety. Toxicity, inflammability and impurities that can be activated. Although some of the above problems are closely interrelated and entail similar techniques, they vary as to degree of difficulty. Another question is the difficulty of distinguishing clearly between techniques for determining physical and physico-chemical properties, on one hand, and analytical techniques on the other. Any classification is therefore somewhat arbitrary (for example, in the case of dosimetry and techniques for determining mean molecular weights or electrical conductivity

A new paradigm for known metabolite identification in metabonomics/metabolomics: metabolite identification efficiency.

Science.gov (United States)

Everett, Jeremy R

2015-01-01

A new paradigm is proposed for assessing confidence in the identification of known metabolites in metabonomics studies using NMR spectroscopy approaches. This new paradigm is based upon the analysis of the amount of metabolite identification information retrieved from NMR spectra relative to the molecular size of the metabolite. Several new indices are proposed including: metabolite identification efficiency (MIE) and metabolite identification carbon efficiency (MICE), both of which can be easily calculated. These indices, together with some guidelines, can be used to provide a better indication of known metabolite identification confidence in metabonomics studies than existing methods. Since known metabolite identification in untargeted metabonomics studies is one of the key bottlenecks facing the science currently, it is hoped that these concepts based on molecular spectroscopic informatics, will find utility in the field.

A New Paradigm for Known Metabolite Identification in Metabonomics/Metabolomics: Metabolite Identification Efficiency

Directory of Open Access Journals (Sweden)

Jeremy R. Everett

2015-01-01

Full Text Available A new paradigm is proposed for assessing confidence in the identification of known metabolites in metabonomics studies using NMR spectroscopy approaches. This new paradigm is based upon the analysis of the amount of metabolite identification information retrieved from NMR spectra relative to the molecular size of the metabolite. Several new indices are proposed including: metabolite identification efficiency (MIE and metabolite identification carbon efficiency (MICE, both of which can be easily calculated. These indices, together with some guidelines, can be used to provide a better indication of known metabolite identification confidence in metabonomics studies than existing methods. Since known metabolite identification in untargeted metabonomics studies is one of the key bottlenecks facing the science currently, it is hoped that these concepts based on molecular spectroscopic informatics, will find utility in the field.

Analytical system availability techniques

NARCIS (Netherlands)

Brouwers, J.J.H.; Verbeek, P.H.J.; Thomson, W.R.

1987-01-01

Analytical techniques are presented to assess the probability distributions and related statistical parameters of loss of production from equipment networks subject to random failures and repairs. The techniques are based on a theoretical model for system availability, which was further developed

Integrative Transcriptomic and Metabonomic Molecular Profiling of Colonic Mucosal Biopsies Indicates a Unique Molecular Phenotype for Ulcerative Colitis

DEFF Research Database (Denmark)

Rantalainen, Mattias; Bjerrum, Jacob Tveiten; Olsen, Jørgen

2015-01-01

characterized the molecular phenotype of ulcerative colitis through transcriptomic and metabonomic profiling of colonic mucosal biopsies from patients and controls. We have characterized the extent to which metabonomic and transcriptomic molecular phenotypes are associated with ulcerative colitis versus...... transcriptomic and metabonomic data have previously been shown to predict the clinical course of ulcerative colitis and related clinical phenotypes, indicating that molecular phenotypes reveal molecular changes associated with the disease. Our analyses indicate that variables of both transcriptomics...... and metabonomics are associated with disease case and control status, that a large proportion of transcripts are associated with at least one metabolite in mucosal colonic biopsies, and that multiple pathways are connected to disease-related metabolites and transcripts....

Metabonomics and medicine: the Biochemical Oracle.

Science.gov (United States)

Mitchell, Steve; Holmes, Elaine; Carmichael, Paul

2002-10-01

Occasionally, a new idea emerges that has the potential to revolutionize an entire field of scientific endeavour. It is now within our grasp to be able to detect subtle perturbations within the phenomenally complex biochemical matrix of living organisms. The discipline of metabonomics promises an all-encompassing approach to understanding total, yet fundamental, changes occurring in disease processes, drug toxicity and cell function.

Plasma metabolic profiling analysis of nephrotoxicity induced by acyclovir using metabonomics coupled with multivariate data analysis.

Science.gov (United States)

Zhang, Xiuxiu; Li, Yubo; Zhou, Huifang; Fan, Simiao; Zhang, Zhenzhu; Wang, Lei; Zhang, Yanjun

2014-08-01

Acyclovir (ACV) is an antiviral agent. However, its use is limited by adverse side effect, particularly by its nephrotoxicity. Metabonomics technology can provide essential information on the metabolic profiles of biofluids and organs upon drug administration. Therefore, in this study, mass spectrometry-based metabonomics coupled with multivariate data analysis was used to identify the plasma metabolites and metabolic pathways related to nephrotoxicity caused by intraperitoneal injection of low (50mg/kg) and high (100mg/kg) doses of acyclovir. Sixteen biomarkers were identified by metabonomics and nephrotoxicity results revealed the dose-dependent effect of acyclovir on kidney tissues. The present study showed that the top four metabolic pathways interrupted by acyclovir included the metabolisms of arachidonic acid, tryptophan, arginine and proline, and glycerophospholipid. This research proves the established metabonomic approach can provide information on changes in metabolites and metabolic pathways, which can be applied to in-depth research on the mechanism of acyclovir-induced kidney injury. Copyright © 2014 Elsevier B.V. All rights reserved.

Advanced analytical techniques

International Nuclear Information System (INIS)

Mrochek, J.E.; Shumate, S.E.; Genung, R.K.; Bahner, C.T.; Lee, N.E.; Dinsmore, S.R.

1976-01-01

The development of several new analytical techniques for use in clinical diagnosis and biomedical research is reported. These include: high-resolution liquid chromatographic systems for the early detection of pathological molecular constituents in physiologic body fluids; gradient elution chromatography for the analysis of protein-bound carbohydrates in blood serum samples, with emphasis on changes in sera from breast cancer patients; electrophoretic separation techniques coupled with staining of specific proteins in cellular isoenzymes for the monitoring of genetic mutations and abnormal molecular constituents in blood samples; and the development of a centrifugal elution chromatographic technique for the assay of specific proteins and immunoglobulins in human blood serum samples

Analytical detection techniques for droplet microfluidics—A review

International Nuclear Information System (INIS)

Zhu, Ying; Fang, Qun

2013-01-01

Graphical abstract: -- Highlights: •This is the first review paper focused on the analytical techniques for droplet-based microfluidics. •We summarized the analytical methods used in droplet-based microfluidic systems. •We discussed the advantage and disadvantage of each method through its application. •We also discuss the future development direction of analytical methods for droplet-based microfluidic systems. -- Abstract: In the last decade, droplet-based microfluidics has undergone rapid progress in the fields of single-cell analysis, digital PCR, protein crystallization and high throughput screening. It has been proved to be a promising platform for performing chemical and biological experiments with ultra-small volumes (picoliter to nanoliter) and ultra-high throughput. The ability to analyze the content in droplet qualitatively and quantitatively is playing an increasing role in the development and application of droplet-based microfluidic systems. In this review, we summarized the analytical detection techniques used in droplet systems and discussed the advantage and disadvantage of each technique through its application. The analytical techniques mentioned in this paper include bright-field microscopy, fluorescence microscopy, laser induced fluorescence, Raman spectroscopy, electrochemistry, capillary electrophoresis, mass spectrometry, nuclear magnetic resonance spectroscopy, absorption detection, chemiluminescence, and sample pretreatment techniques. The importance of analytical detection techniques in enabling new applications is highlighted. We also discuss the future development direction of analytical detection techniques for droplet-based microfluidic systems

Maternal glucocorticoid elevation and associated blood metabonome changes might be involved in metabolic programming of intrauterine growth retardation in rats exposed to caffeine prenatally

Energy Technology Data Exchange (ETDEWEB)

Kou, Hao; Liu, Yansong; Liang, Gai; Huang, Jing; Hu, Jieqiong; Yan, You-e; Li, Xiaojun [Department of Pharmacology, Basic Medical School of Wuhan University, Wuhan 430071 (China); Yu, Hong; He, Xiaohua; Zhang, Baifang [Hubei Provincial Key Laboratory of Developmentally Originated Diseases, Wuhan 430071 (China); Zhang, Yuanzhen [Hubei Provincial Key Laboratory of Developmentally Originated Diseases, Wuhan 430071 (China); Center for Reproductive Medicine, Zhongnan Hospital of Wuhan University, Wuhan 430071 (China); Feng, Jianghua, E-mail: jianghua.feng@xmu.edu.cn [Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Xiamen University, Xiamen 361005 (China); Wang, Hui, E-mail: wanghui19@whu.edu.cn [Department of Pharmacology, Basic Medical School of Wuhan University, Wuhan 430071 (China); Hubei Provincial Key Laboratory of Developmentally Originated Diseases, Wuhan 430071 (China)

2014-03-01

Our previous studies demonstrated that prenatal caffeine exposure causes intrauterine growth retardation (IUGR), fetuses are over-exposed to high levels of maternal glucocorticoids (GC), and intrauterine metabolic programming and associated metabonome alteration that may be GC-mediated. However, whether maternal metabonomes would be altered and relevant metabolite variations might mediate the development of IUGR remained unknown. In the present studies, we examined the dose- and time-effects of caffeine on maternal metabonome, and tried to clarify the potential roles of maternal GCs and metabonome changes in the metabolic programming of caffeine-induced IUGR. Pregnant rats were treated with caffeine (0, 20, 60 or 180 mg/kg · d) from gestational days (GD) 11 to 20, or 180 mg/kg · d caffeine from GD9. Metabonomes of maternal plasma on GD20 in the dose–effect study and on GD11, 14 and 17 in the time–course study were analyzed by {sup 1}H nuclear magnetic resonance spectroscopy, respectively. Caffeine administration reduced maternal weight gains and elevated both maternal and fetal corticosterone (CORT) levels. A negative correlation between maternal/fetal CORT levels and fetal bodyweight was observed. The maternal metabonome alterations included attenuated metabolism of carbohydrates, enhanced lipolysis and protein breakdown, and amino acid accumulation, suggesting GC-associated metabolic effects. GC-associated metabolite variations (α/β-glucoses, high density lipoprotein-cholesterol, β-hydroxybutyrate) were observed early following caffeine administration. In conclusion, prenatal caffeine exposure induced maternal GC elevation and metabonome alteration, and maternal GC and relevant discriminatory metabolites might be involved in the metabolic programming of caffeine-induced IUGR. - Highlights: • Prenatal caffeine exposure elevated maternal blood glucocorticoid levels. • Prenatal caffeine exposure altered maternal blood metabonomes. • Maternal

Maternal glucocorticoid elevation and associated blood metabonome changes might be involved in metabolic programming of intrauterine growth retardation in rats exposed to caffeine prenatally

International Nuclear Information System (INIS)

Kou, Hao; Liu, Yansong; Liang, Gai; Huang, Jing; Hu, Jieqiong; Yan, You-e; Li, Xiaojun; Yu, Hong; He, Xiaohua; Zhang, Baifang; Zhang, Yuanzhen; Feng, Jianghua; Wang, Hui

2014-01-01

Our previous studies demonstrated that prenatal caffeine exposure causes intrauterine growth retardation (IUGR), fetuses are over-exposed to high levels of maternal glucocorticoids (GC), and intrauterine metabolic programming and associated metabonome alteration that may be GC-mediated. However, whether maternal metabonomes would be altered and relevant metabolite variations might mediate the development of IUGR remained unknown. In the present studies, we examined the dose- and time-effects of caffeine on maternal metabonome, and tried to clarify the potential roles of maternal GCs and metabonome changes in the metabolic programming of caffeine-induced IUGR. Pregnant rats were treated with caffeine (0, 20, 60 or 180 mg/kg · d) from gestational days (GD) 11 to 20, or 180 mg/kg · d caffeine from GD9. Metabonomes of maternal plasma on GD20 in the dose–effect study and on GD11, 14 and 17 in the time–course study were analyzed by 1 H nuclear magnetic resonance spectroscopy, respectively. Caffeine administration reduced maternal weight gains and elevated both maternal and fetal corticosterone (CORT) levels. A negative correlation between maternal/fetal CORT levels and fetal bodyweight was observed. The maternal metabonome alterations included attenuated metabolism of carbohydrates, enhanced lipolysis and protein breakdown, and amino acid accumulation, suggesting GC-associated metabolic effects. GC-associated metabolite variations (α/β-glucoses, high density lipoprotein-cholesterol, β-hydroxybutyrate) were observed early following caffeine administration. In conclusion, prenatal caffeine exposure induced maternal GC elevation and metabonome alteration, and maternal GC and relevant discriminatory metabolites might be involved in the metabolic programming of caffeine-induced IUGR. - Highlights: • Prenatal caffeine exposure elevated maternal blood glucocorticoid levels. • Prenatal caffeine exposure altered maternal blood metabonomes. • Maternal metabonome

[The application of metabonomics in modern studies of Chinese materia medica].

Science.gov (United States)

Chen, Hai-Bin; Zhou, Hong-Guang; Yu, Xiao-Yi

2012-06-01

Metabonomics, a newly developing subject secondary to genomics, transcriptomics, and proteomics, is an important constituent part of systems biology. It is believed to be the final direction of the systems biology. It can be directly applied to understand the physiological and biochemical states by its "metabolome profile" as a whole. Therefore, it can provide a huge amount of information different from those originating from other "omics". In the modernization of Chinese materia medica research, the application of metabonomics methods and technologies has a broad potential for future development. Especially it is of important theoretical significance and application value in holistic efficacies evaluation, active ingredients studies, and safety research of Chinese materia medica.

A metabonomic analysis of serum from rats treated with ricinine using ultra performance liquid chromatography coupled with mass spectrometry.

Directory of Open Access Journals (Sweden)

Jing Peng

Full Text Available A metabonomic approach based on ultra performance liquid chromatography coupled with mass spectrometry (UPLC/MS was used to study the hepatotoxicity of ricinine in rats. Potential biomarkers of ricinine toxicity and toxicological mechanism were analyzed by serum metabonomic method. The significant differences in the metabolic profiling of the control and treated rats were clear by using the principal components analysis (PCA of the chromatographic data. Significant changes of metabolite biomarkers like phenylalanine, tryptophan, cholic acid, LPC and PC were detected in the serum. These biochemical changes were related to the metabolic disorders in amino acids and phospholipids. This research indicates that UPLC/MS-based metabonomic analysis of serum samples can be used to predict the hepatotoxicity and further understand the toxicological mechanism induced by ricinine. This work shows that metabonomics method is a valuable tool in drug mechanism study.

Serum metabonomic analysis of protective effects of Curcuma aromatica oil on renal fibrosis rats.

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Zhao, Liangcai; Zhang, Haiyan; Yang, Yunjun; Zheng, Yongquan; Dong, Minjian; Wang, Yaqiang; Bai, Guanghui; Ye, Xinjian; Yan, Zhihan; Gao, Hongchang

2014-01-01

Curcuma aromatica oil is a traditional herbal medicine demonstrating protective and anti-fibrosis activities in renal fibrosis patients. However, study of its mechanism of action is challenged by its multiple components and multiple targets that its active agent acts on. Nuclear magnetic resonance (NMR)-based metabonomics combined with clinical chemistry and histopathology examination were performed to evaluate intervening effects of Curcuma aromatica oil on renal interstitial fibrosis rats induced by unilateral ureteral obstruction. The metabolite levels were compared based on integral values of serum 1H NMR spectra from rats on 3, 7, 14, and 28 days after the medicine administration. Time trajectory analysis demonstrated that metabolic profiles of the agent-treated rats were restored to control levels after 7 days of dosage. The results confirmed that the agent would be an effective anti-fibrosis medicine in a time-dependent manner, especially in early renal fibrosis stage. Targeted metabolite analysis showed that the medicine could lower levels of lipid, acetoacetate, glucose, phosphorylcholine/choline, trimethylamine oxide and raise levels of pyruvate, glycine in the serum of the rats. Serum clinical chemistry and kidney histopathology examination dovetailed well with the metabonomics data. The results substantiated that Curcuma aromatica oil administration can ameliorate renal fibrosis symptoms by inhibiting some metabolic pathways, including lipids metabolism, glycolysis and methylamine metabolism, which are dominating targets of the agent working in vivo. This study further strengthens the novel analytical approach for evaluating the effect of traditional herbal medicine and elucidating its molecular mechanism.

Sample preparation prior to the LC-MS-based metabolomics/metabonomics of blood-derived samples.

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Gika, Helen; Theodoridis, Georgios

2011-07-01

Blood represents a very important biological fluid and has been the target of continuous and extensive research for diagnostic, or health and drug monitoring reasons. Recently, metabonomics/metabolomics have emerged as a new and promising 'omics' platform that shows potential in biomarker discovery, especially in areas such as disease diagnosis, assessment of drug efficacy or toxicity. Blood is collected in various establishments in conditions that are not standardized. Next, the samples are prepared and analyzed using different methodologies or tools. When targeted analysis of key molecules (e.g., a drug or its metabolite[s]) is the aim, enforcement of certain measures or additional analyses may correct and harmonize these discrepancies. In omics fields such as those performed by holistic analytical approaches, no such rules or tools are available. As a result, comparison or correlation of results or data fusion becomes impractical. However, it becomes evident that such obstacles should be overcome in the near future to allow for large-scale studies that involve the assaying of samples from hundreds of individuals. In this case the effect of sample handling and preparation becomes very serious, in order to avoid wasting months of work from experts and expensive instrument time. The present review aims to cover the different methodologies applied to the pretreatment of blood prior to LC-MS metabolomic/metabonomic studies. The article tries to critically compare the methods and highlight issues that need to be addressed.

A Study of Spectral Integration and Normalization in NMR-based Metabonomic Analyses

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Webb-Robertson, Bobbie-Jo M.; Lowry, David F.; Jarman, Kristin H.; Harbo, Sam J.; Meng, Quanxin; Fuciarelli, Alfred F.; Pounds, Joel G.; Lee, Monica T.

2005-09-15

Metabonomics involves the quantitation of the dynamic multivariate metabolic response of an organism to a pathological event or genetic modification (Nicholson, Lindon and Holmes, 1999). The analysis of these data involves the use of appropriate multivariate statistical methods. Exploratory Data Analysis (EDA) linear projection methods, primarily Principal Component Analysis (PCA), have been documented as a valuable pattern recognition technique for 1H NMR spectral data (Brindle et al., 2002, Potts et al., 2001, Robertson et al., 2000, Robosky et al., 2002). Prior to PCA the raw data is typically processed through four steps; (1) baseline correction, (2) endogenous peak removal, (3) integration over spectral regions to reduce the number of variables, and (4) normalization. The effect of the size of spectral integration regions and normalization has not been well studied. We assess the variability structure and classification accuracy on two distinctly different datasets via PCA and a leave-one-out cross-validation approach under two normalization approaches and an array of spectral integration regions. This study indicates that independent of the normalization method the classification accuracy achieved from metabonomic studies is not highly sensitive to the size of the spectral integration region. Additionally, both datasets scaled to mean zero and unity variance (auto-scaled) has higher variability within classification accuracy over spectral integration window widths than data scaled to the total intensity of the spectrum.

[Mechanism research on the lupeol treatment on MCF-7 breast cancer cells based on cell metabonomics].

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Shi, Dongdong; Kuang, Yuanyuan; Wang, Guiming; Peng, Zhangxiao; Wang, Yan; Yan, Chao

2014-03-01

The objective of this research is to investigate the suppressive effects of lupeol on MCF-7 breast cancer cells, and explore its mechanism on inhibiting the proliferation of MCF-7 cells based on cell metabonomics and cell cycle. Gas chromatography-mass spectrometry (GC-MS) was used in the cell metabonomics assay to identify metabolites of MCF-7 cells and MCF-7 cells treated with lupeol. Then, orthogonal partial least squares discriminant analysis (OPLS-DA) was used to process the metabolic data and model parameters of OPLS-DA were as follows: R2Ycum = 0.988, Q2Ycum = 0.964, which indicated that these two groups could be distinguished clearly. The metabolites (VIP (variable importance in the projection) > 1) were analyzed by t-test, and finally, metabolites (t metabonomics.

Glycoprotein Enrichment Analytical Techniques: Advantages and Disadvantages.

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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.

Nuclear magnetic resonance metabonomic profiling using tO2PLS

Energy Technology Data Exchange (ETDEWEB)

Kirwan, Gemma M., E-mail: gemma.kirwan@gmail.com [Department of Chemistry, School of Applied Sciences, RMIT University, City Campus, Vic 3001 (Australia); Bioinformatics Center, Institute for Chemical Research, Kyoto University, Gokasho Uji, Kyoto (Japan); Hancock, Timothy [Bioinformatics Center, Institute for Chemical Research, Kyoto University, Gokasho Uji, Kyoto (Japan); Hassell, Kathryn [Biotechnology and Environmental Biology, School of Applied Sciences, RMIT University, PO Box 71, Bundoora, Vic 3083 (Australia); Niere, Julie O. [Department of Chemistry, School of Applied Sciences, RMIT University, City Campus, Vic 3001 (Australia); Nugegoda, Dayanthi [Biotechnology and Environmental Biology, School of Applied Sciences, RMIT University, PO Box 71, Bundoora, Vic 3083 (Australia); Goto, Susumu [Bioinformatics Center, Institute for Chemical Research, Kyoto University, Gokasho Uji, Kyoto (Japan); Adams, Michael J. [Department of Chemistry, School of Applied Sciences, RMIT University, City Campus, Vic 3001 (Australia)

2013-06-05

Graphical abstract: -- Highlights: •Transposition of O2PLS input matrix (tO2PLS) to analyze metabonomics data. •tO2PLS specific components describe features that separate and define sample groups. •Application of tO2PLS to a {sup 1}H NMR metabonomics study of black bream fish. -- Abstract: Blood plasma collected from adult fish (black bream, Sparidae) exposed to a dose of 5 mg kg{sup −1} 17β-estradiol underwent metabonomic profiling using nuclear magnetic resonance (NMR). An extension of the orthogonal 2 projection to latent structure (O2PLS) analysis, tO2PLS, was proposed and utilized to classify changes between the control and experimental metabolic profiles. As a bidirectional modeling tool, O2PLS examines the (variable) commonality between two different data blocks, and extracts the joint correlations as well as the unique variations present within each data block. tO2PLS is a proposed matrix transposition of O2PLS to allow for commonality between experiments (spectral profiles) to be observed, rather than between sample variables. tO2PLS analysis highlighted two potential biomarkers, trimethylamine-N-oxide (TMAO) and choline, that distinguish between control and 17β-estradiol exposed fish. This study presents an alternative way of examining spectroscopic (metabolite) data, providing a method for the visual assessment of similarities and differences between control and experimental spectral features in large data sets.

Nuclear magnetic resonance metabonomic profiling using tO2PLS

International Nuclear Information System (INIS)

Kirwan, Gemma M.; Hancock, Timothy; Hassell, Kathryn; Niere, Julie O.; Nugegoda, Dayanthi; Goto, Susumu; Adams, Michael J.

2013-01-01

Graphical abstract: -- Highlights: •Transposition of O2PLS input matrix (tO2PLS) to analyze metabonomics data. •tO2PLS specific components describe features that separate and define sample groups. •Application of tO2PLS to a 1 H NMR metabonomics study of black bream fish. -- Abstract: Blood plasma collected from adult fish (black bream, Sparidae) exposed to a dose of 5 mg kg −1 17β-estradiol underwent metabonomic profiling using nuclear magnetic resonance (NMR). An extension of the orthogonal 2 projection to latent structure (O2PLS) analysis, tO2PLS, was proposed and utilized to classify changes between the control and experimental metabolic profiles. As a bidirectional modeling tool, O2PLS examines the (variable) commonality between two different data blocks, and extracts the joint correlations as well as the unique variations present within each data block. tO2PLS is a proposed matrix transposition of O2PLS to allow for commonality between experiments (spectral profiles) to be observed, rather than between sample variables. tO2PLS analysis highlighted two potential biomarkers, trimethylamine-N-oxide (TMAO) and choline, that distinguish between control and 17β-estradiol exposed fish. This study presents an alternative way of examining spectroscopic (metabolite) data, providing a method for the visual assessment of similarities and differences between control and experimental spectral features in large data sets

Hyphenated analytical techniques for materials characterisation

International Nuclear Information System (INIS)

Armstrong, Gordon; Kailas, Lekshmi

2017-01-01

This topical review will provide a survey of the current state of the art in ‘hyphenated’ techniques for characterisation of bulk materials, surface, and interfaces, whereby two or more analytical methods investigating different properties are applied simultaneously to the same sample to better characterise the sample than can be achieved by conducting separate analyses in series using different instruments. It is intended for final year undergraduates and recent graduates, who may have some background knowledge of standard analytical techniques, but are not familiar with ‘hyphenated’ techniques or hybrid instrumentation. The review will begin by defining ‘complementary’, ‘hybrid’ and ‘hyphenated’ techniques, as there is not a broad consensus among analytical scientists as to what each term means. The motivating factors driving increased development of hyphenated analytical methods will also be discussed. This introduction will conclude with a brief discussion of gas chromatography-mass spectroscopy and energy dispersive x-ray analysis in electron microscopy as two examples, in the context that combining complementary techniques for chemical analysis were among the earliest examples of hyphenated characterisation methods. The emphasis of the main review will be on techniques which are sufficiently well-established that the instrumentation is commercially available, to examine physical properties including physical, mechanical, electrical and thermal, in addition to variations in composition, rather than methods solely to identify and quantify chemical species. Therefore, the proposed topical review will address three broad categories of techniques that the reader may expect to encounter in a well-equipped materials characterisation laboratory: microscopy based techniques, scanning probe-based techniques, and thermal analysis based techniques. Examples drawn from recent literature, and a concluding case study, will be used to explain the

Hyphenated analytical techniques for materials characterisation

Science.gov (United States)

Armstrong, Gordon; Kailas, Lekshmi

2017-09-01

This topical review will provide a survey of the current state of the art in ‘hyphenated’ techniques for characterisation of bulk materials, surface, and interfaces, whereby two or more analytical methods investigating different properties are applied simultaneously to the same sample to better characterise the sample than can be achieved by conducting separate analyses in series using different instruments. It is intended for final year undergraduates and recent graduates, who may have some background knowledge of standard analytical techniques, but are not familiar with ‘hyphenated’ techniques or hybrid instrumentation. The review will begin by defining ‘complementary’, ‘hybrid’ and ‘hyphenated’ techniques, as there is not a broad consensus among analytical scientists as to what each term means. The motivating factors driving increased development of hyphenated analytical methods will also be discussed. This introduction will conclude with a brief discussion of gas chromatography-mass spectroscopy and energy dispersive x-ray analysis in electron microscopy as two examples, in the context that combining complementary techniques for chemical analysis were among the earliest examples of hyphenated characterisation methods. The emphasis of the main review will be on techniques which are sufficiently well-established that the instrumentation is commercially available, to examine physical properties including physical, mechanical, electrical and thermal, in addition to variations in composition, rather than methods solely to identify and quantify chemical species. Therefore, the proposed topical review will address three broad categories of techniques that the reader may expect to encounter in a well-equipped materials characterisation laboratory: microscopy based techniques, scanning probe-based techniques, and thermal analysis based techniques. Examples drawn from recent literature, and a concluding case study, will be used to explain the

Current practice of liquid chromatography-mass spectrometry in metabolomics and metabonomics.

Science.gov (United States)

Gika, Helen G; Theodoridis, Georgios A; Plumb, Robert S; Wilson, Ian D

2014-01-01

Based on publication and citation numbers liquid chromatography (LC-MS) has become the major analytical technology in the field of global metabolite profiling. This dominance reflects significant investments from both the research community and instrument manufacturers. Here an overview of the approaches taken for LC-MS-based metabolomics research is given, describing critical steps in the realisation of such studies: study design and its needs, specific technological problems to be addressed and major obstacles in data treatment and biomarker identification. The current state of the art for LC-MS-based analysis in metabonomics/metabolomics is described including recent developments in liquid chromatography, mass spectrometry and data treatment as these are applied in metabolomics underlining the challenges, limitations and prospects for metabolomics research. Examples of the application of metabolite profiling in the life sciences focusing on disease biomarker discovery are highlighted. In addition, new developments and future prospects are described. Copyright © 2013 Elsevier B.V. All rights reserved.

Metabonomic Study on the Antidepressant-Like Effects of Banxia Houpu Decoction and Its Action Mechanism

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Zhanqiang Ma

2013-01-01

Full Text Available The aim of this study was to establish an experimental model for metabonomic profiles of the rat’s brain and then to investigate the antidepressant effect of Banxia Houpu decoction (BHD and its possible mechanisms. Behavioral research and metabonomics method based on UPLC-MS were used to assess the efficacy of different fractions of BHD on chronic unpredictable mild stress (CUMS model of depression. There was a significant difference between the BHD group and the model group. Eight endogenous metabolites, which are contributing to the separation of the model group and control group, were detected, while BHD group regulated the perturbed metabolites showing that there is a tendency of recovery compared to control group. Therefore, we think that those potential metabolite biomarkers have some relationship with BHD’s antidepression effect. This work appraised the antidepressant effect of Banxia Houpu decoction as well as revealing a metabonomics method, a valuable parameter in the TCM research.

Semi-analytic techniques for calculating bubble wall profiles

International Nuclear Information System (INIS)

Akula, Sujeet; Balazs, Csaba; White, Graham A.

2016-01-01

We present semi-analytic techniques for finding bubble wall profiles during first order phase transitions with multiple scalar fields. Our method involves reducing the problem to an equation with a single field, finding an approximate analytic solution and perturbing around it. The perturbations can be written in a semi-analytic form. We assert that our technique lacks convergence problems and demonstrate the speed of convergence on an example potential. (orig.)

Correlations of Fecal Metabonomic and Microbiomic Changes Induced by High-fat Diet in the Pre-Obesity State

Science.gov (United States)

Lin, Hong; An, Yanpeng; Hao, Fuhua; Wang, Yulan; Tang, Huiru

2016-02-01

Obesity resulting from interactions of genetic and environmental factors becomes a serious public health problem worldwide with alterations of the metabolic phenotypes in multiple biological matrices involving multiple metabolic pathways. To understand the contributions of gut microbiota to obesity development, we analyzed dynamic alterations in fecal metabonomic phenotype using NMR and fecal microorganism composition in rats using pyrosequencing technology during the high-fat diet (HFD) feeding for 81 days (pre-obesity state). Integrated analysis of these two phenotypic datasets was further conducted to establish correlations between the altered rat fecal metabonome and gut microbiome. We found that one-week HFD feeding already caused significant changes in rat fecal metabonome and such changes sustained throughout 81-days feeding with the host and gut microbiota co-metabolites clearly featured. We also found that HFD caused outstanding decreases in most fecal metabolites implying enhancement of gut absorptions. We further established comprehensive correlations between the HFD-induced changes in fecal metabonome and fecal microbial composition indicating contributions of gut microbiota in pathogenesis and progression of the HFD-induced obesity. These findings provided essential information about the functions of gut microbiota in pathogenesis of metabolic disorders which could be potentially important for developing obesity prevention and treatment therapies.

Untargeted saliva metabonomics study of breast cancer based on ultra performance liquid chromatography coupled to mass spectrometry with HILIC and RPLC separations.

Science.gov (United States)

Zhong, Liping; Cheng, Fei; Lu, Xiaoyong; Duan, Yixiang; Wang, Xiaodong

2016-09-01

Breast cancer (BC) is not only the most frequently diagnosed cancer, but also the leading cause of cancer death among women worldwide. This study aimed to screen the potential salivary biomarkers for breast cancer diagnosis, staging, and biomarker discovery. For the first time, a UPLC-MS based method along with multivariate data analysis, was proposed for the global saliva metabonomics analysis and diagnosis of BC, which used both hydrophilic interaction chromatography (HILIC) and reversed-phase liquid chromatography (RPLC) separations and operated in both positive (ESI+) and negative (ESI-) ionization modes. On account of different polarities of endogenous metabolites, this method was established to overcome the boundedness of a single chromatographic approach. As a result, 18 potential metabolites for diagnosing BC were identified. A nonparametric Mann-Whitney U test, heat map, and the receiver operating characteristic (ROC) were exploited to analyze the data with the purpose of evaluating the predictive power of the 18 biomarkers. Significant differences (Pmetabonomics analysis in human saliva for identifying potential biomarkers to diagnose and stage BC was successfully eastablished, which was non-invasive, reliable, low-cost, and simple. The HILIC was demonstrated to be essential for a comprehensive saliva metabonomics profiling as well as RPLC separation. This saliva metabonomics technique may provide new insight into the discovery and identification of diagnostic biomarkers for BC. Copyright © 2016. Published by Elsevier B.V.

Automics: an integrated platform for NMR-based metabonomics spectral processing and data analysis

Directory of Open Access Journals (Sweden)

Qu Lijia

2009-03-01

Full Text Available Abstract Background Spectral processing and post-experimental data analysis are the major tasks in NMR-based metabonomics studies. While there are commercial and free licensed software tools available to assist these tasks, researchers usually have to use multiple software packages for their studies because software packages generally focus on specific tasks. It would be beneficial to have a highly integrated platform, in which these tasks can be completed within one package. Moreover, with open source architecture, newly proposed algorithms or methods for spectral processing and data analysis can be implemented much more easily and accessed freely by the public. Results In this paper, we report an open source software tool, Automics, which is specifically designed for NMR-based metabonomics studies. Automics is a highly integrated platform that provides functions covering almost all the stages of NMR-based metabonomics studies. Automics provides high throughput automatic modules with most recently proposed algorithms and powerful manual modules for 1D NMR spectral processing. In addition to spectral processing functions, powerful features for data organization, data pre-processing, and data analysis have been implemented. Nine statistical methods can be applied to analyses including: feature selection (Fisher's criterion, data reduction (PCA, LDA, ULDA, unsupervised clustering (K-Mean and supervised regression and classification (PLS/PLS-DA, KNN, SIMCA, SVM. Moreover, Automics has a user-friendly graphical interface for visualizing NMR spectra and data analysis results. The functional ability of Automics is demonstrated with an analysis of a type 2 diabetes metabolic profile. Conclusion Automics facilitates high throughput 1D NMR spectral processing and high dimensional data analysis for NMR-based metabonomics applications. Using Automics, users can complete spectral processing and data analysis within one software package in most cases

Automics: an integrated platform for NMR-based metabonomics spectral processing and data analysis.

Science.gov (United States)

Wang, Tao; Shao, Kang; Chu, Qinying; Ren, Yanfei; Mu, Yiming; Qu, Lijia; He, Jie; Jin, Changwen; Xia, Bin

2009-03-16

Spectral processing and post-experimental data analysis are the major tasks in NMR-based metabonomics studies. While there are commercial and free licensed software tools available to assist these tasks, researchers usually have to use multiple software packages for their studies because software packages generally focus on specific tasks. It would be beneficial to have a highly integrated platform, in which these tasks can be completed within one package. Moreover, with open source architecture, newly proposed algorithms or methods for spectral processing and data analysis can be implemented much more easily and accessed freely by the public. In this paper, we report an open source software tool, Automics, which is specifically designed for NMR-based metabonomics studies. Automics is a highly integrated platform that provides functions covering almost all the stages of NMR-based metabonomics studies. Automics provides high throughput automatic modules with most recently proposed algorithms and powerful manual modules for 1D NMR spectral processing. In addition to spectral processing functions, powerful features for data organization, data pre-processing, and data analysis have been implemented. Nine statistical methods can be applied to analyses including: feature selection (Fisher's criterion), data reduction (PCA, LDA, ULDA), unsupervised clustering (K-Mean) and supervised regression and classification (PLS/PLS-DA, KNN, SIMCA, SVM). Moreover, Automics has a user-friendly graphical interface for visualizing NMR spectra and data analysis results. The functional ability of Automics is demonstrated with an analysis of a type 2 diabetes metabolic profile. Automics facilitates high throughput 1D NMR spectral processing and high dimensional data analysis for NMR-based metabonomics applications. Using Automics, users can complete spectral processing and data analysis within one software package in most cases. Moreover, with its open source architecture, interested

Application of plant metabonomics in quality assessment for large-scale production of traditional Chinese medicine.

Science.gov (United States)

Ning, Zhangchi; Lu, Cheng; Zhang, Yuxin; Zhao, Siyu; Liu, Baoqin; Xu, Xuegong; Liu, Yuanyan

2013-07-01

The curative effects of traditional Chinese medicines are principally based on the synergic effect of their multi-targeting, multi-ingredient preparations, in contrast to modern pharmacology and drug development that often focus on a single chemical entity. Therefore, the method employing a few markers or pharmacologically active constituents to assess the quality and authenticity of the complex preparations has a number of severe challenges. Metabonomics can provide an effective platform for complex sample analysis. It is also reported to be applied to the quality analysis of the traditional Chinese medicine. Metabonomics enables comprehensive assessment of complex traditional Chinese medicines or herbal remedies and sample classification of diverse biological statuses, origins, or qualities in samples, by means of chemometrics. Identification, processing, and pharmaceutical preparation are the main procedures in the large-scale production of Chinese medicinal preparations. Through complete scans, plants metabonomics addresses some of the shortfalls of single analyses and presents a considerable potential to become a sharp tool for traditional Chinese medicine quality assessment. Georg Thieme Verlag KG Stuttgart · New York.

Reference materials for micro-analytical nuclear techniques

International Nuclear Information System (INIS)

Valkovic, V.; Zeisler, R.; Bernasconi, G.; Danesi, P.R.

1994-01-01

Direct application of many existing reference materials in micro-analytical procedures such as energy dispersive x-ray fluorescence (EDXRF), particle induced x-ray emission spectroscopy (PIXE) and ion probe techniques for the determination of trace elements is often impossible or difficult because: 1) other constituents present in large amounts interfere with the determination; 2) trace components are not sufficiently homogeneously distributed in the sample. Therefore specific natural-matrix reference materials containing very low levels of trace elements and having high degree of homogeneity are required for many micro-analytical procedures. In this report, selection of the types of environmental and biological materials which are suitable for micro-analytical techniques will be discussed. (author)

Analytical research using synchrotron radiation based techniques

International Nuclear Information System (INIS)

Jha, Shambhu Nath

2015-01-01

There are many Synchrotron Radiation (SR) based techniques such as X-ray Absorption Spectroscopy (XAS), X-ray Fluorescence Analysis (XRF), SR-Fourier-transform Infrared (SRFTIR), Hard X-ray Photoelectron Spectroscopy (HAXPS) etc. which are increasingly being employed worldwide in analytical research. With advent of modern synchrotron sources these analytical techniques have been further revitalized and paved ways for new techniques such as microprobe XRF and XAS, FTIR microscopy, Hard X-ray Photoelectron Spectroscopy (HAXPS) etc. The talk will cover mainly two techniques illustrating its capability in analytical research namely XRF and XAS. XRF spectroscopy: XRF spectroscopy is an analytical technique which involves the detection of emitted characteristic X-rays following excitation of the elements within the sample. While electron, particle (protons or alpha particles), or X-ray beams can be employed as the exciting source for this analysis, the use of X-ray beams from a synchrotron source has been instrumental in the advancement of the technique in the area of microprobe XRF imaging and trace level compositional characterisation of any sample. Synchrotron radiation induced X-ray emission spectroscopy, has become competitive with the earlier microprobe and nanoprobe techniques following the advancements in manipulating and detecting these X-rays. There are two important features that contribute to the superb elemental sensitivities of microprobe SR induced XRF: (i) the absence of the continuum (Bremsstrahlung) background radiation that is a feature of spectra obtained from charged particle beams, and (ii) the increased X-ray flux on the sample associated with the use of tunable third generation synchrotron facilities. Detection sensitivities have been reported in the ppb range, with values of 10 -17 g - 10 -14 g (depending on the particular element and matrix). Keeping in mind its demand, a microprobe XRF beamline has been setup by RRCAT at Indus-2 synchrotron

Maternal glucocorticoid elevation and associated blood metabonome changes might be involved in metabolic programming of intrauterine growth retardation in rats exposed to caffeine prenatally.

Science.gov (United States)

Kou, Hao; Liu, Yansong; Liang, Gai; Huang, Jing; Hu, Jieqiong; Yan, You-e; Li, Xiaojun; Yu, Hong; He, Xiaohua; Zhang, Baifang; Zhang, Yuanzhen; Feng, Jianghua; Wang, Hui

2014-03-01

Our previous studies demonstrated that prenatal caffeine exposure causes intrauterine growth retardation (IUGR), fetuses are over-exposed to high levels of maternal glucocorticoids (GC), and intrauterine metabolic programming and associated metabonome alteration that may be GC-mediated. However, whether maternal metabonomes would be altered and relevant metabolite variations might mediate the development of IUGR remained unknown. In the present studies, we examined the dose- and time-effects of caffeine on maternal metabonome, and tried to clarify the potential roles of maternal GCs and metabonome changes in the metabolic programming of caffeine-induced IUGR. Pregnant rats were treated with caffeine (0, 20, 60 or 180 mg/kg·d) from gestational days (GD) 11 to 20, or 180 mg/kg·d caffeine from GD9. Metabonomes of maternal plasma on GD20 in the dose-effect study and on GD11, 14 and 17 in the time-course study were analyzed by ¹H nuclear magnetic resonance spectroscopy, respectively. Caffeine administration reduced maternal weight gains and elevated both maternal and fetal corticosterone (CORT) levels. A negative correlation between maternal/fetal CORT levels and fetal bodyweight was observed. The maternal metabonome alterations included attenuated metabolism of carbohydrates, enhanced lipolysis and protein breakdown, and amino acid accumulation, suggesting GC-associated metabolic effects. GC-associated metabolite variations (α/β-glucoses, high density lipoprotein-cholesterol, β-hydroxybutyrate) were observed early following caffeine administration. In conclusion, prenatal caffeine exposure induced maternal GC elevation and metabonome alteration, and maternal GC and relevant discriminatory metabolites might be involved in the metabolic programming of caffeine-induced IUGR. Copyright © 2014 Elsevier Inc. All rights reserved.

Measuring Biological Age via Metabonomics: The Metabolic Age Score.

Science.gov (United States)

Hertel, Johannes; Friedrich, Nele; Wittfeld, Katharina; Pietzner, Maik; Budde, Kathrin; Van der Auwera, Sandra; Lohmann, Tobias; Teumer, Alexander; Völzke, Henry; Nauck, Matthias; Grabe, Hans Jörgen

2016-02-05

Chronological age is one of the most important risk factors for adverse clinical outcome. Still, two individuals at the same chronological age could have different biological aging states, leading to different individual risk profiles. Capturing this individual variance could constitute an even more powerful predictor enhancing prediction in age-related morbidity. Applying a nonlinear regression technique, we constructed a metabonomic measurement for biological age, the metabolic age score, based on urine data measured via (1)H NMR spectroscopy. We validated the score in two large independent population-based samples by revealing its significant associations with chronological age and age-related clinical phenotypes as well as its independent predictive value for survival over approximately 13 years of follow-up. Furthermore, the metabolic age score was prognostic for weight loss in a sample of individuals who underwent bariatric surgery. We conclude that the metabolic age score is an informative measurement of biological age with possible applications in personalized medicine.

Metabonomics Indicates Inhibition of Fatty Acid Synthesis, β-Oxidation, and Tricarboxylic Acid Cycle in Triclocarban-Induced Cardiac Metabolic Alterations in Male Mice.

Science.gov (United States)

Xie, Wenping; Zhang, Wenpeng; Ren, Juan; Li, Wentao; Zhou, Lili; Cui, Yuan; Chen, Huiming; Yu, Wenlian; Zhuang, Xiaomei; Zhang, Zhenqing; Shen, Guolin; Li, Haishan

2018-02-14

Triclocarban (TCC) has been identified as a new environmental pollutant that is potentially hazardous to human health; however, the effects of short-term TCC exposure on cardiac function are not known. The aim of this study was to use metabonomics and molecular biology techniques to systematically elucidate the molecular mechanisms of TCC-induced effects on cardiac function in mice. Our results show that TCC inhibited the uptake, synthesis, and oxidation of fatty acids, suppressed the tricarboxylic acid (TCA) cycle, and increased aerobic glycolysis levels in heart tissue after short-term TCC exposure. TCC also inhibited the nuclear peroxisome proliferator-activated receptor α (PPARα), confirming its inhibitory effects on fatty acid uptake and oxidation. Histopathology and other analyses further confirm that TCC altered mouse cardiac physiology and pathology, ultimately affecting normal cardiac metabolic function. We elucidate the molecular mechanisms of TCC-induced harmful effects on mouse cardiac metabolism and function from a new perspective, using metabonomics and bioinformatics analysis data.

HPLC-MS-Based Metabonomics Reveals Disordered Lipid Metabolism in Patients with Metabolic Syndrome

Directory of Open Access Journals (Sweden)

Xinjie Zhao

2011-12-01

Full Text Available Ultra-high performance liquid chromatography/ quadrupole time of flight mass spectrometry-based metabonomics platform was employed to profile the plasma metabolites of patients with metabolic syndrome and the healthy controls. Data analysis revealed lots of differential metabolites between the two groups, and most of them were identified as lipids. Several fatty acids and lysophosphatidylcholines were of higher plasma levels in the patient group, indicating the occurrence of insulin resistance and inflammation. The identified ether phospholipids were decreased in the patient group, reflecting the oxidative stress and some metabolic disorders. These identified metabolites can also be used to aid diagnosis of patients with metabolic syndrome. These results showed that metabonomics was a promising and powerful method to study metabolic syndrome.

Fetal rat metabonome alteration by prenatal caffeine ingestion probably due to the increased circulatory glucocorticoid level and altered peripheral glucose and lipid metabolic pathways

International Nuclear Information System (INIS)

Liu, Yansong; Xu, Dan; Feng, Jianghua; Kou, Hao; Liang, Gai; Yu, Hong; He, Xiaohua; Zhang, Baifang; Chen, Liaobin; Magdalou, Jacques; Wang, Hui

2012-01-01

The aims of this study were to clarify the metabonome alteration in fetal rats after prenatal caffeine ingestion and to explore the underlying mechanism pertaining to the increased fetal circulatory glucocorticoid (GC). Pregnant Wistar rats were daily intragastrically administered with different doses of caffeine (0, 20, 60 and 180 mg/kg) from gestational days (GD) 11 to 20. Metabonome of fetal plasma and amniotic fluid on GD20 were analyzed by 1 H nuclear magnetic resonance-based metabonomics. Gene and protein expressions involved in the GC metabolism, glucose and lipid metabolic pathways in fetal liver and gastrocnemius were measured by real-time RT-PCR and immunohistochemistry. Fetal plasma metabonome were significantly altered by caffeine, which presents as the elevated α- and β‐glucose, reduced multiple lipid contents, varied apolipoprotein contents and increased levels of a number of amino acids. The metabonome of amniotic fluids showed a similar change as that in fetal plasma. Furthermore, the expressions of 11β-hydroxysteroid dehydrogenase 2 (11β-HSD-2) were decreased, while the level of blood GC and the expressions of 11β-HSD-1 and glucocorticoid receptor (GR) were increased in fetal liver and gastrocnemius. Meanwhile, the expressions of insulin-like growth factor 1 (IGF-1), IGF-1 receptor and insulin receptor were decreased, while the expressions of adiponectin receptor 2, leptin receptors and AMP-activated protein kinase α2 were increased after caffeine treatment. Prenatal caffeine ingestion characteristically change the fetal metabonome, which is probably attributed to the alterations of glucose and lipid metabolic pathways induced by increased circulatory GC, activated GC metabolism and enhanced GR expression in peripheral metabolic tissues. -- Highlights: ► Prenatal caffeine ingestion altered the metabonome of IUGR fetal rats. ► Caffeine altered the glucose and lipid metabolic pathways of IUGR fetal rats. ► Prenatal caffeine ingestion

Entwicklung und Anwendung neuer NMR-Methoden: Orientierungsmedien zur Strukturbestimmung mit anisotropen Parametern und Metabonomics

OpenAIRE

Büchler, Silke

2014-01-01

Das Ziel dieser Arbeit war die Entwicklung und Anwendung neuer Orientierungsmedien zur Strukturbestimmung mit anisotropen Parametern, sowie die Etablierung von Metabonomics-Studien an Flüssigzellkulturen und Reispflanzen.

Comparative metabonomics of Wenxin Keli and Verapamil reveals differential roles of gluconeogenesis and fatty acid ?-oxidation in myocardial injury protection

OpenAIRE

Jiang, Miaomiao; Wang, Qiuying; Chen, Jingrui; Wang, Yanan; Fan, Guanwei; Zhu, Yan

2017-01-01

Metabonomics/metabolomics is a rapid technology for comprehensive profiling of small molecule metabolites in cells, tissues, or whole organisms, the application of which has led to understanding pathophysiologic mechanisms of cardiometabolic diseases, defining predictive biomarkers for those diseases, and also assessing the efficacious effects of incident drugs. In this study, proton nuclear magnetic resonance (NMR)-based metabonomics was employed to identify the metabolic changes in rat plas...

Response of chronic gingivitis to hygiene therapy and experimental gingivitis. Clinical, microbiological and metabonomic changes.

Science.gov (United States)

Klukowska, Malgorzata; Goyal, C Ram; Khambe, Deepa; Cannon, Michael; Miner, Melanie; Gurich, Nataliya; Circello, Ben; Huggins, Tom; Barker, Matthew L; Furnish, Carrie; Conde, Erinn; Hoke, Phyllis; Haught, Chris; Xie, Sancai; White, Donald J

2015-10-01

To compare the clinical, microbiological and metabonomic profiles of subjects with high and low levels of chronic gingival bleeding during a controlled oral hygiene regimen intervention including sequential phases of rigorous therapeutic oral hygiene followed by experimental gingivitis (EG). Two cohorts of qualified study subjects with differences in gingival bleeding on probing levels at their baseline clinical examination were entered into the study. These two cohorts were followed through three separate study phases including a 1-week baseline phase, a 2-week phase of rigorous oral hygiene including dental prophylaxis, and a 3-week EG phase of no oral hygiene to encourage relapse of gingivitis. The 58 subjects were assessed during each phase of the study for clinical presentation of gingivitis and concurrently had plaque sampled for real-time polymerase chain reaction (RTPCR) microbiological characterization and salivary lavage samples for 'systems biology' metabonomics assessment by 1H-NMR. Subjects presenting with different levels of gingival bleeding on probing when they entered the study responded differently to rigorous oral hygiene and EG. Specifically, the high bleeding cohort responded sluggishly to rigorous oral hygiene and exhibited markedly greater relapse to gingivitis during EG. RTPCR analysis showed changes in bacterial populations that were associated with study phases, particularly the increases in putative periodontal pathogens during EG. However, the microbiological profiles of high- and low-susceptibility gingival bleeding patients were largely similar. Metabonomic analysis likewise revealed significant changes in metabolite composition during study phases associated with differences in plaque toxicity, especially the short chain carboxylic acids propionate and n-butyrate, which tracked clinical changes in gingivitis severity. Systems analysis of metabonomic changes suggested differences between cohorts, although analysis to date has not

Fetal rat metabonome alteration by prenatal caffeine ingestion probably due to the increased circulatory glucocorticoid level and altered peripheral glucose and lipid metabolic pathways

Energy Technology Data Exchange (ETDEWEB)

Liu, Yansong [Department of Pharmacology, Basic Medical School of Wuhan University, Wuhan University, Wuhan, 430071 (China); Xu, Dan [Department of Pharmacology, Basic Medical School of Wuhan University, Wuhan University, Wuhan, 430071 (China); Research Center of Food and Drug Evaluation, Wuhan University, Wuhan, 430071 (China); Feng, Jianghua, E-mail: jianghua.feng@xmu.edu.cn [Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan, 430071 (China); Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Xiamen University, Xiamen, 361005 (China); Kou, Hao; Liang, Gai [Department of Pharmacology, Basic Medical School of Wuhan University, Wuhan University, Wuhan, 430071 (China); Yu, Hong; He, Xiaohua; Zhang, Baifang; Chen, Liaobin [Research Center of Food and Drug Evaluation, Wuhan University, Wuhan, 430071 (China); Magdalou, Jacques [UMR 7561 CNRS-Nancy Université, Faculté de Médicine, Vandoeuvre-lès-Nancy (France); Wang, Hui, E-mail: wanghui19@whu.edu.cn [Department of Pharmacology, Basic Medical School of Wuhan University, Wuhan University, Wuhan, 430071 (China); Research Center of Food and Drug Evaluation, Wuhan University, Wuhan, 430071 (China)

2012-07-15

The aims of this study were to clarify the metabonome alteration in fetal rats after prenatal caffeine ingestion and to explore the underlying mechanism pertaining to the increased fetal circulatory glucocorticoid (GC). Pregnant Wistar rats were daily intragastrically administered with different doses of caffeine (0, 20, 60 and 180 mg/kg) from gestational days (GD) 11 to 20. Metabonome of fetal plasma and amniotic fluid on GD20 were analyzed by {sup 1}H nuclear magnetic resonance-based metabonomics. Gene and protein expressions involved in the GC metabolism, glucose and lipid metabolic pathways in fetal liver and gastrocnemius were measured by real-time RT-PCR and immunohistochemistry. Fetal plasma metabonome were significantly altered by caffeine, which presents as the elevated α- and β‐glucose, reduced multiple lipid contents, varied apolipoprotein contents and increased levels of a number of amino acids. The metabonome of amniotic fluids showed a similar change as that in fetal plasma. Furthermore, the expressions of 11β-hydroxysteroid dehydrogenase 2 (11β-HSD-2) were decreased, while the level of blood GC and the expressions of 11β-HSD-1 and glucocorticoid receptor (GR) were increased in fetal liver and gastrocnemius. Meanwhile, the expressions of insulin-like growth factor 1 (IGF-1), IGF-1 receptor and insulin receptor were decreased, while the expressions of adiponectin receptor 2, leptin receptors and AMP-activated protein kinase α2 were increased after caffeine treatment. Prenatal caffeine ingestion characteristically change the fetal metabonome, which is probably attributed to the alterations of glucose and lipid metabolic pathways induced by increased circulatory GC, activated GC metabolism and enhanced GR expression in peripheral metabolic tissues. -- Highlights: ► Prenatal caffeine ingestion altered the metabonome of IUGR fetal rats. ► Caffeine altered the glucose and lipid metabolic pathways of IUGR fetal rats. ► Prenatal caffeine

Establishment and optimization of NMR-based cell metabonomics study protocols for neonatal Sprague-Dawley rat cardiomyocytes.

Science.gov (United States)

Zhang, Ming; Sun, Bo; Zhang, Qi; Gao, Rong; Liu, Qiao; Dong, Fangting; Fang, Haiqin; Peng, Shuangqing; Li, Famei; Yan, Xianzhong

2017-01-15

A quenching, harvesting, and extraction protocol was optimized for cardiomyocytes NMR metabonomics analysis in this study. Trypsin treatment and direct scraping cells in acetonitrile were compared for sample harvesting. The results showed trypsin treatment cause normalized concentration increasing of phosphocholine and metabolites leakage, since the trypsin-induced membrane broken and long term harvesting procedures. Then the intracellular metabolite extraction efficiency of methanol and acetonitrile were compared. As a result, washing twice with phosphate buffer, direct scraping cells and extracting with acetonitrile were chosen to prepare cardiomyocytes extracts samples for metabonomics studies. This optimized protocol is rapid, effective, and exhibits greater metabolite retention. Copyright © 2016 Elsevier Inc. All rights reserved.

Metabonomics profiling of marinated meat in soy sauce during processing.

Science.gov (United States)

Yang, Yang; Ye, Yangfang; Pan, Daodong; Sun, Yangying; Wang, Ying; Cao, Jinxuan

2018-03-01

Marinated meat in soy sauce is one of the most popular traditional cured meat products in China. Its taste quality is directly related to primary and secondary metabolites. Herein, the change of metabolite composition of marinated meat in soy sauce during processing was systematically characterised using 1 H NMR and multivariate data analysis. The marinated meat in soy sauce metabonome was dominated by 26 metabolites, including amino acids, sugars, organic acids, nucleic aides and their derivatives. PC1 and PC2 explained a total of 78.6% and 16.6% of variables, respectively. Amino acids, sugars, acetate, succinate, uracil and inosine increased during marinating, while lactate, creatine, inosine-5'-monophosphate (5'-IMP) and anserine decreased (P meat in soy sauce during the late stage of dry-ripening. These findings indicated that the potential of NMR-based metabonomics is of importance for taste quality of marinated meat in soy sauce, which could contribute to a better understanding of the changes of taste compounds in meat products during processing. Shortening the dry-ripening period could be considered to improve the taste quality. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Analytical techniques for thin films treatise on materials science and technology

CERN Document Server

Tu, K N

1988-01-01

Treatise on Materials Science and Technology, Volume 27: Analytical Techniques for Thin Films covers a set of analytical techniques developed for thin films and interfaces, all based on scattering and excitation phenomena and theories. The book discusses photon beam and X-ray techniques; electron beam techniques; and ion beam techniques. Materials scientists, materials engineers, chemical engineers, and physicists will find the book invaluable.

Applied predictive analytics principles and techniques for the professional data analyst

CERN Document Server

Abbott, Dean

2014-01-01

Learn the art and science of predictive analytics - techniques that get results Predictive analytics is what translates big data into meaningful, usable business information. Written by a leading expert in the field, this guide examines the science of the underlying algorithms as well as the principles and best practices that govern the art of predictive analytics. It clearly explains the theory behind predictive analytics, teaches the methods, principles, and techniques for conducting predictive analytics projects, and offers tips and tricks that are essential for successful predictive mode

Advanced analytical techniques for boiling water reactor chemistry control

Energy Technology Data Exchange (ETDEWEB)

Alder, H P; Schenker, E [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1997-02-01

The analytical techniques applied can be divided into 5 classes: OFF-LINE (discontinuous, central lab), AT-LINE (discontinuous, analysis near loop), ON-LINE (continuous, analysis in bypass). In all cases pressure and temperature of the water sample are reduced. In a strict sense only IN-LINE (continuous, flow disturbance) and NON-INVASIVE (continuous, no flow disturbance) techniques are suitable for direct process control; - the ultimate goal. An overview of the analytical techniques tested in the pilot loop is given. Apart from process and overall water quality control, standard for BWR operation, the main emphasis is on water impurity characterization (crud particles, hot filtration, organic carbon); on stress corrosion crackling control for materials (corrosion potential, oxygen concentration) and on the characterization of the oxide layer on austenites (impedance spectroscopy, IR-reflection). The above mentioned examples of advanced analytical techniques have the potential of in-line or non-invasive application. They are different stages of development and are described in more detail. 28 refs, 1 fig., 5 tabs.

A Preliminary Investigation of NSCL/P Plasma and Urine in Guizhou Province in China Using NMR-Based Metabonomics.

Science.gov (United States)

Lei, Huang Guang; Hong, Luo; Kun, Song Ju; Hai, Yin Xin; Dong, Wang Ya; Ke, Zhao; Ping, Xu; Hao, Chen

2013-09-01

Objective : To assess the feasibility of metabonomics in clinical studies. This is a pilot study introducing nuclear magnetic resonance (NMR)-based metabonomics to elucidate and compare the metabolism of patients with nonsyndromic cleft lip and/or palate (NSCL/P) and children without orofacial clefts. Methods : High-resolution (1)H NMR spectroscopy was performed on plasma and urine samples obtained from NSCL/P and healthy children. The (1)H NMR spectra were further analyzed with principal component analysis. Results : Compared to the control group, the level of low-molecular-weight metabolites in plasma such as asparagine was higher in NSCL/P patients, while arginine, lysine, acetate, lactate, proline, glutamine, pyruvate, creatinine, choline, and β-glucose were lower. The carnitine, citrate, and formate excretion in urine appeared to be higher in the healthy children, while the NSCL/P group excreted higher concentrations of aspartic acid and phenylalanine in urine. Conclusion : The present study clearly demonstrated the great potential of NMR-based metabonomics in elucidating NSCL/P plasma metabolism and the possible application of this technology in clinical diagnosis and screening.

Application of on-line analytical processing technique in accelerator

International Nuclear Information System (INIS)

Xie Dong; Li Weimin; He Duohui; Liu Gongfa; Xuan Ke

2005-01-01

A method of application of the on-line analytical processing technique in accelerator is described, which includes data pre-processing, the process of constructing of data warehouse and on-line analytical processing. (authors)

Nuclear forensics: strategies and analytical techniques

International Nuclear Information System (INIS)

Marin, Rafael C.; Sarkis, Jorge E.S.; Pestana, Rafael C.B.

2013-01-01

The development of nuclear forensics as a field of science arose in response to international demand for methods to investigate the illicit trafficking of nuclear materials. After being seized, unknown nuclear material is collected and analyzed by a set of analytical methods. The fingerprints of these materials can be identified and further used during the investigations. Data interpretation is an extensive process aiming to validate the hypotheses made by the experts, and can help confirm the origin of seized nuclear materials at the end of the process or investigation. This work presents the set of measures and analytical methods that have been inherited by nuclear forensics from several fields of science. The main characteristics of these methods are evaluated and the analytical techniques employed to determine the fingerprint of nuclear materials are described. (author)

Analytical chemistry: Principles and techniques

International Nuclear Information System (INIS)

Hargis, L.G.

1988-01-01

Although this text seems to have been intended for use in a one-semester course in undergraduate analytical chemistry, it includes the range of topics usually encountered in a two-semester introductory course in chemical analysis. The material is arranged logically for use in a two-semester course: the first 12 chapters contain the subjects most often covered in the first term, and the next 10 chapters pertain to the second (instrumental) term. Overall breadth and level of treatment are standards for an undergraduate text of this sort, and the only major omission is that of kinetic methods (which is a common omission in analytical texts). In the first 12 chapters coverage of the basic material is quite good. The emphasis on the underlying principles of the techniques rather than on specifics and design of instrumentation is welcomed. This text may be more useful for the instrumental portion of an analytical chemistry course than for the solution chemistry segment. The instrumental analysis portion is appropriate for an introductory textbook

Metabonomic investigation of human Schistosoma mansoni infection

DEFF Research Database (Denmark)

Balog, Crina I.A.; Meissner, Axel; Göraler, Sibel

2011-01-01

in their urinary profiles. The potential molecular markers of S. mansoni infection were found to be primarily linked to changes in gut microflora, energy metabolism and liver function. These findings are in agreement with data from earlier studies on S. mansoni infection in experimental animals and thus provide....... Investigation of the host-parasite interaction at the molecular level and identification of biomarkers of infection and infection-related morbidity would be of value for improved strategies for treatment and morbidity control. To this end, we conducted a nuclear magnetic resonance (NMR) based metabonomics study...... corroborating evidence for the existence of metabolic response specific for this infection....

Comparative 1H NMR-based metabonomic analysis of HIV-1 sera

International Nuclear Information System (INIS)

Philippeos, C.; Steffens, F. E.; Meyer, D.

2009-01-01

1 H NMR spectroscopy of sera from HIV-1 infected and uninfected individuals was performed on 300 and 600 MHz instruments. The resultant spectra were automatically data reduced to 90 and 180 integral segments of equal length. Analysis of variance identified significant differences between the sample groups, especially for the samples analyzed on 600 MHz and reduced to fewer segments. Linear discriminant analysis correctly classified 100% of the samples analyzed on the 300 MHz NMR (reduced to 180 segments); an increase in instrument sensitivity resulted in lower percentages of correctly classified samples. Multinomial logistic regression (MLR) resulted in 100% correct classification of all samples from both instruments. Thus 1 H-NMR metabonomics on either instrument distinguishes HIV-positive individuals using or not using anti retroviral therapy, but the sensitivity of the instrument impacts on data reduction. Furthermore, MLR is a novel multivariate statistical technique for improved classification of biological data analyzed in NMR

Development of analytical techniques for safeguards environmental samples at JAEA

International Nuclear Information System (INIS)

Sakurai, Satoshi; Magara, Masaaki; Usuda, Shigekazu; Watanabe, Kazuo; Esaka, Fumitaka; Hirayama, Fumio; Lee, Chi-Gyu; Yasuda, Kenichiro; Inagawa, Jun; Suzuki, Daisuke; Iguchi, Kazunari; Kokubu, Yoko S.; Miyamoto, Yutaka; Ohzu, Akira

2007-01-01

JAEA has been developing, under the auspices of the Ministry of Education, Culture, Sports, Science and Technology of Japan, analytical techniques for ultra-trace amounts of nuclear materials in environmental samples in order to contribute to the strengthened safeguards system. Development of essential techniques for bulk and particle analysis, as well as screening, of the environmental swipe samples has been established as ultra-trace analytical methods of uranium and plutonium. In January 2003, JAEA was qualified, including its quality control system, as a member of the JAEA network analytical laboratories for environmental samples. Since 2004, JAEA has conducted the analysis of domestic and the IAEA samples, through which JAEA's analytical capability has been verified and improved. In parallel, advanced techniques have been developed in order to expand the applicability to the samples of various elemental composition and impurities and to improve analytical accuracy and efficiency. This paper summarizes the trace of the technical development in environmental sample analysis at JAEA, and refers to recent trends of research and development in this field. (author)

Activities at Forschungszentrum Juelich in Safeguards Analytical Techniques and Measurements

International Nuclear Information System (INIS)

Duerr, M.; Knott, A.; Middendorp, R.; Niemeyer, I.; Kueppers, S.; Zoriy, M.; Froning, M.; Bosbach, D.

2015-01-01

The application of safeguards by the IAEA involves analytical measurements of samples taken during inspections. The development and advancement of analytical techniques with support from the Member States contributes to strengthened and more efficient verification of compliance with non-proliferation obligations. Since recently, a cooperation agreement has been established between Forschungszentrum Juelich and the IAEA in the field of analytical services. The current working areas of Forschungszentrum Juelich are: (i) Production of synthetic micro-particles as calibration standard and reference material for particle analysis, (ii) qualification of the Forschungszentrum Juelich as a member of the IAEA network of analytical laboratories for safeguards (NWAL), and (iii) analysis of impurities in nuclear material samples. With respect to the synthesis of particles, a dedicated setup for the production of uranium particles is being developed, which addresses the urgent need for material tailored for its use in quality assurance and quality control measures for particle analysis of environmental swipe samples. Furthermore, Forschungszentrum Juelich has been nominated as a candidate laboratory for membership in the NWAL network. To this end, analytical capabilities at Forschungszentrum Juelich have been joined to form an analytical service within a dedicated quality management system. Another activity is the establishment of analytical techniques for impurity analysis of uranium-oxide, mainly focusing on inductively coupled mass spectrometry. This contribution will present the activities at Forschungszentrum Juelich in the area of analytical measurements and techniques for nuclear verification. (author)

[Experimental study of metabonomics in the diagnosis of allergic rhinitis in mice].

Science.gov (United States)

Wang, A; Li, Q F; Zhang, G Q; Zhao, C Q

2016-02-01

To investigate the application of metabonomics in the diagnosis of allergic rhinitis. Eighty male Kunming mice were randomly divided into two groups, control group (30 mice) and allergic rhinitis (AR) group (50 mice). After modeling, removal behavior score more than 6 and retain 30 mice behavior score equal to 6.Collect the mice peripheral blood and preparate blood serum, using UPLC-MS chromatographic separation and detection. The data were pretreated by SPSS and Excel, after chromatographic peak matching by MZmine. Firstly , delete interference data in accordance with the 80% rule .Then, the investigate data were analyzed by PLS-DA and PCA-X. Three-dimensional view of the control group (30 mice) and AR group (30 mice) blood serum data was drawn using PCA-X and PLS-DA method. The two groups of samples could be completely separated through views, which showed that there was a significant difference between the two groups of data. There were some differences in the blood metabolites between the control group and AR group . The study showed that it was scientific and feasible to diagnose AR using the metabonomics.

Biomarkers identified by urinary metabonomics for noninvasive diagnosis of nutritional rickets.

Science.gov (United States)

Wang, Maoqing; Yang, Xue; Ren, Lihong; Li, Songtao; He, Xuan; Wu, Xiaoyan; Liu, Tingting; Lin, Liqun; Li, Ying; Sun, Changhao

2014-09-05

Nutritional rickets is a worldwide public health problem; however, the current diagnostic methods retain shortcomings for accurate diagnosis of nutritional rickets. To identify urinary biomarkers associated with nutritional rickets and establish a noninvasive diagnosis method, urinary metabonomics analysis by ultra-performance liquid chromatography/quadrupole time-of-flight tandem mass spectrometry and multivariate statistical analysis were employed to investigate the metabolic alterations associated with nutritional rickets in 200 children with or without nutritional rickets. The pathophysiological changes and pathogenesis of nutritional rickets were illustrated by the identified biomarkers. By urinary metabolic profiling, 31 biomarkers of nutritional rickets were identified and five candidate biomarkers for clinical diagnosis were screened and identified by quantitative analysis and receiver operating curve analysis. Urinary levels of five candidate biomarkers were measured using mass spectrometry or commercial kits. In the validation step, the combination of phosphate and sebacic acid was able to give a noninvasive and accurate diagnostic with high sensitivity (94.0%) and specificity (71.2%). Furthermore, on the basis of the pathway analysis of biomarkers, our urinary metabonomics analysis gives new insight into the pathogenesis and pathophysiology of nutritional rickets.

A DATABASE FOR TRACKING TOXICOGENOMIC SAMPLES AND PROCEDURES WITH GENOMIC, PROTEOMIC AND METABONOMIC COMPONENTS

Science.gov (United States)

A Database for Tracking Toxicogenomic Samples and Procedures with Genomic, Proteomic and Metabonomic Components Wenjun Bao1, Jennifer Fostel2, Michael D. Waters2, B. Alex Merrick2, Drew Ekman3, Mitchell Kostich4, Judith Schmid1, David Dix1Office of Research and Developmen...

A QC approach to the determination of day-to-day reproducibility and robustness of LC-MS methods for global metabolite profiling in metabonomics/metabolomics.

Science.gov (United States)

Gika, Helen G; Theodoridis, Georgios A; Earll, Mark; Wilson, Ian D

2012-09-01

An approach to the determination of day-to-day analytical robustness of LC-MS-based methods for global metabolic profiling using a pooled QC sample is presented for the evaluation of metabonomic/metabolomic data. A set of 60 urine samples were repeatedly analyzed on five different days and the day-to-day reproducibility of the data obtained was determined. Multivariate statistical analysis was performed with the aim of evaluating variability and selected peaks were assessed and validated in terms of retention time stability, mass accuracy and intensity. The methodology enables the repeatability/reproducibility of extended analytical runs in large-scale studies to be determined, allowing the elimination of analytical (as opposed to biological) variability, in order to discover true patterns and correlations within the data. The day-to-day variability of the data revealed by this process suggested that, for this particular system, 3 days continuous operation was possible without the need for maintenance and cleaning. Variation was generally based on signal intensity changes over the 7-day period of the study, and was mainly a result of source contamination.

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

Science.gov (United States)

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.

Role of thermo-analytical techniques in compositional characterization of nuclear materials

International Nuclear Information System (INIS)

Raje, Naina

2015-01-01

The study of heat effects on different materials has a long history. Extraction of metals from the ores, pottery production, glasses making etc. are the examples, where the performance of products obtained from raw materials depends on the processing temperatures. Concrete, pottery, bricks etc., are severely damaged due to uncontrolled high temperatures. Therefore, the heating of raw materials in controlled manner is of pivotal importance to get products of the desired quality. Thermo-analytical techniques provide the information on the effect of heat under controlled heating conditions. In thermo-analytical techniques, physical properties of materials are measured as a function of temperature. Simultaneous thermo-analytical techniques are beneficial in comparison to any single thermo-analytical technique. Simultaneous techniques refer to the measurement of two or more signals on the same sample at the same time in the same instrument. Nowadays, simultaneous thermo-analytical technique are extensively in use for the analysis of materials. Ammonium diuranate (ADU) and magnesium diuranate (MDU), also known as yellowcake, are intermediate precursors in fuel fabrication process, with stringent specifications along with the need to understand its thermal behavior. In the processing of lowgrade ores, higher levels of impurities are being encountered in the leach solution that affects the properties of ADU/MDU. In order to meet the fuel specifications, quality assurance of these nuclear materials is essential. Current studies describe the application of simultaneous Thermogravimetry (TG) - differential thermal analysis (DTA) - evolved gas analysis (EGA) techniques for the compositional characterization of ADU/MDU with respect to the impurities present in the matrices

Comparative {sup 1}H NMR-based metabonomic analysis of HIV-1 sera

Energy Technology Data Exchange (ETDEWEB)

Philippeos, C. [University of Johannesburg, Department of Biochemistry (South Africa); Steffens, F. E. [University of Pretoria, Department of Statistics (South Africa); Meyer, D. [University of Pretoria, Department of Biochemistry (South Africa)], E-mail: debra.meyer@up.ac.za

2009-07-15

{sup 1}H NMR spectroscopy of sera from HIV-1 infected and uninfected individuals was performed on 300 and 600 MHz instruments. The resultant spectra were automatically data reduced to 90 and 180 integral segments of equal length. Analysis of variance identified significant differences between the sample groups, especially for the samples analyzed on 600 MHz and reduced to fewer segments. Linear discriminant analysis correctly classified 100% of the samples analyzed on the 300 MHz NMR (reduced to 180 segments); an increase in instrument sensitivity resulted in lower percentages of correctly classified samples. Multinomial logistic regression (MLR) resulted in 100% correct classification of all samples from both instruments. Thus {sup 1}H-NMR metabonomics on either instrument distinguishes HIV-positive individuals using or not using anti retroviral therapy, but the sensitivity of the instrument impacts on data reduction. Furthermore, MLR is a novel multivariate statistical technique for improved classification of biological data analyzed in NMR.

Analytical vs. Simulation Solution Techniques for Pulse Problems in Non-linear Stochastic Dynamics

DEFF Research Database (Denmark)

Iwankiewicz, R.; Nielsen, Søren R. K.

Advantages and disadvantages of available analytical and simulation techniques for pulse problems in non-linear stochastic dynamics are discussed. First, random pulse problems, both those which do and do not lead to Markov theory, are presented. Next, the analytical and analytically-numerical tec......Advantages and disadvantages of available analytical and simulation techniques for pulse problems in non-linear stochastic dynamics are discussed. First, random pulse problems, both those which do and do not lead to Markov theory, are presented. Next, the analytical and analytically...

Urine metabonomic profiling of a female adolescent with PIT-1 mutation before and during growth hormone therapy: insights into the metabolic effects of growth hormone.

Science.gov (United States)

Abd Rahman, Shaffinaz; Schirra, Horst Joachim; Lichanska, Agnieszka M; Huynh, Tony; Leong, Gary M

2013-01-01

Growth hormone (GH) is a protein hormone with important roles in growth and metabolism. The objective of this study was to investigate the metabolism of a human subject with severe GH deficiency (GHD) due to a PIT-1 gene mutation and the metabolic effects of GH therapy using Nuclear Magnetic Resonance (NMR)-based metabonomics. NMR-based metabonomics is a platform that allows the metabolic profile of biological fluids such as urine to be recorded, and any alterations in the profile modulated by GH can potentially be detected. Urine samples were collected from a female subject with severe GHD before, during and after GH therapy, and from healthy age- and sex-matched controls and analysed with NMR-based metabonomics. The samples were collected at a hospital and the study was performed at a research facility. We studied a 17 year old female adolescent with severe GHD secondary to PIT-1 gene mutation who had reached final adult height and who had ceased GH therapy for over 3 years. The subject was subsequently followed for 5 years with and without GH therapy. Twelve healthy age-matched female subjects acted as control subjects. The GH-deficient subject re-commenced GH therapy at a dose of 1 mg/day to normalise serum IGF-1 levels. Urine metabolic profiles were recorded using NMR spectroscopy and analysed with multivariate statistics to distinguish the profiles at different time points and identify significant metabolites affected by GH therapy. NMR-based metabonomics revealed that the metabolic profile of the GH-deficient subject altered with GH therapy and that her profile was different from healthy controls before, and during withdrawal of GH therapy. This study illustrates the potential use of NMR-based metabonomics for monitoring the effects of GH therapy on metabolism by profiling the urine of GH-deficient subjects. Further controlled studies in larger numbers of GH-deficient subjects are required to determine the clinical benefits of NMR-based metabonomics in

Statistical evaluation of recorded knowledge in nuclear and other instrumental analytical techniques

International Nuclear Information System (INIS)

Braun, T.

1987-01-01

The main points addressed in this study are the following: Statistical distribution patterns of published literature on instrumental analytical techniques 1981-1984; structure of scientific literature and heuristics for identifying active specialities and emerging hot spot research areas in instrumental analytical techniques; growth and growth rates of the literature in some of the identified hot research areas; quality and quantity in instrumental analytical research output. (orig.)

Non-linear modeling of 1H NMR metabonomic data using kernel-based orthogonal projections to latent structures optimized by simulated annealing

International Nuclear Information System (INIS)

Fonville, Judith M.; Bylesjoe, Max; Coen, Muireann; Nicholson, Jeremy K.; Holmes, Elaine; Lindon, John C.; Rantalainen, Mattias

2011-01-01

Highlights: → Non-linear modeling of metabonomic data using K-OPLS. → automated optimization of the kernel parameter by simulated annealing. → K-OPLS provides improved prediction performance for exemplar spectral data sets. → software implementation available for R and Matlab under GPL v2 license. - Abstract: Linear multivariate projection methods are frequently applied for predictive modeling of spectroscopic data in metabonomic studies. The OPLS method is a commonly used computational procedure for characterizing spectral metabonomic data, largely due to its favorable model interpretation properties providing separate descriptions of predictive variation and response-orthogonal structured noise. However, when the relationship between descriptor variables and the response is non-linear, conventional linear models will perform sub-optimally. In this study we have evaluated to what extent a non-linear model, kernel-based orthogonal projections to latent structures (K-OPLS), can provide enhanced predictive performance compared to the linear OPLS model. Just like its linear counterpart, K-OPLS provides separate model components for predictive variation and response-orthogonal structured noise. The improved model interpretation by this separate modeling is a property unique to K-OPLS in comparison to other kernel-based models. Simulated annealing (SA) was used for effective and automated optimization of the kernel-function parameter in K-OPLS (SA-K-OPLS). Our results reveal that the non-linear K-OPLS model provides improved prediction performance in three separate metabonomic data sets compared to the linear OPLS model. We also demonstrate how response-orthogonal K-OPLS components provide valuable biological interpretation of model and data. The metabonomic data sets were acquired using proton Nuclear Magnetic Resonance (NMR) spectroscopy, and include a study of the liver toxin galactosamine, a study of the nephrotoxin mercuric chloride and a study of

Ischemic stroke progress evaluation by 31P NMR-based metabonomic of human serum

International Nuclear Information System (INIS)

Grandizoli, Caroline W.P.S.; Barison, Andersson; Lange, Marcos C.; Novak, Felipe T. M.; Campos, Francinete R.

2014-01-01

In this work, chemometric analyses over 31 P{ 1H } NMR (nuclear magnetic resonance) spectra of human blood serum permitted to discriminated ischemic stroke patients from health individuals due to changes in the chemical composition of phosphorus-containing compounds. These results indicate that 31 P NMR-based metabonomic allowed insights over the mechanism triggered by ischemic stroke. (author)

An analytical simulation technique for cone-beam CT and pinhole SPECT

International Nuclear Information System (INIS)

Zhang Xuezhu; Qi Yujin

2011-01-01

This study was aimed at developing an efficient simulation technique with an ordinary PC. The work involved derivation of mathematical operators, analytic phantom generations, and effective analytical projectors developing for cone-beam CT and pinhole SPECT imaging. The computer simulations based on the analytical projectors were developed by ray-tracing method for cone-beam CT and voxel-driven method for pinhole SPECT of degrading blurring. The 3D Shepp-Logan, Jaszczak and Defrise phantoms were used for simulation evaluations and image reconstructions. The reconstructed phantom images were of good accuracy with the phantoms. The results showed that the analytical simulation technique is an efficient tool for studying cone-beam CT and pinhole SPECT imaging. (authors)

Appendix 1: Analytical Techniques (Online supplementary material ...

Indian Academy of Sciences (India)

HP

Further details of analytical techniques are given in http://www.actlabs.com. Zircon U–Pb dating and trace element analysis. The zircons were separated using standard procedures including crushing (in iron mortar and pestle), sieving (375 to 75 micron), tabling, heavy liquid separation (bromoform and methylene iodide) ...

An insight into the metabolic responses of ultra-small superparamagnetic particles of iron oxide using metabonomic analysis of biofluids

International Nuclear Information System (INIS)

Feng Jianghua; Liu Huili; Zhang Limin; Bhakoo, Kishore; Lu Lehui

2010-01-01

Ultra-small superparamagnetic particles of iron oxides (USPIO) have been developed as intravenous organ/tissue-targeted contrast agents to improve magnetic resonance imaging (MRI) in vivo. However, their potential toxicity and effects on metabolism have attracted particular attention. In the present study, uncoated and dextran-coated USPIO were investigated by analyzing both rat urine and plasma metabonomes using high-resolution NMR-based metabonomic analysis in combination with multivariate statistical analysis. The wealth of information gathered on the metabolic profiles from rat urine and plasma has revealed subtle metabolic changes in response to USPIO administration. The metabolic changes include the elevation of urinary α-hydroxy-n-valerate, o- and p-HPA, PAG, nicotinate and hippurate accompanied by decreases in the levels of urinary α-ketoglutarate, succinate, citrate, N-methylnicotinamide, NAG, DMA, allantoin and acetate following USPIO administration. The changes associated with USPIO administration included a gradual increase in plasma glucose, N-acetyl glycoprotein, saturated fatty acid, citrate, succinate, acetate, GPC, ketone bodies (β-hydroxybutyrate, acetone and acetoacetate) and individual amino acids, such as phenylalanine, lysine, isoleucine, glycine, glutamine and glutamate and a gradual decrease of myo-inositol, unsaturated fatty acid and triacylglycerol. Hence USPIO administration effects are reflected in changes in a number of metabolic pathways including energy, lipid, glucose and amino acid metabolism. The size- and surface chemistry-dependent metabolic responses and possible toxicity were observed using NMR analysis of biofluids. These changes may be attributed to the disturbances of hepatic, renal and cardiac functions following USPIO administrations. The potential biotoxicity can be derived from metabonomic analysis and serum biochemistry analysis. Metabonomic strategy offers a promising approach for the detection of subtle

An insight into the metabolic responses of ultra-small superparamagnetic particles of iron oxide using metabonomic analysis of biofluids

Science.gov (United States)

Feng, Jianghua; Liu, Huili; Zhang, Limin; Bhakoo, Kishore; Lu, Lehui

2010-10-01

Ultra-small superparamagnetic particles of iron oxides (USPIO) have been developed as intravenous organ/tissue-targeted contrast agents to improve magnetic resonance imaging (MRI) in vivo. However, their potential toxicity and effects on metabolism have attracted particular attention. In the present study, uncoated and dextran-coated USPIO were investigated by analyzing both rat urine and plasma metabonomes using high-resolution NMR-based metabonomic analysis in combination with multivariate statistical analysis. The wealth of information gathered on the metabolic profiles from rat urine and plasma has revealed subtle metabolic changes in response to USPIO administration. The metabolic changes include the elevation of urinary α-hydroxy-n-valerate, o- and p-HPA, PAG, nicotinate and hippurate accompanied by decreases in the levels of urinary α-ketoglutarate, succinate, citrate, N-methylnicotinamide, NAG, DMA, allantoin and acetate following USPIO administration. The changes associated with USPIO administration included a gradual increase in plasma glucose, N-acetyl glycoprotein, saturated fatty acid, citrate, succinate, acetate, GPC, ketone bodies (β-hydroxybutyrate, acetone and acetoacetate) and individual amino acids, such as phenylalanine, lysine, isoleucine, glycine, glutamine and glutamate and a gradual decrease of myo-inositol, unsaturated fatty acid and triacylglycerol. Hence USPIO administration effects are reflected in changes in a number of metabolic pathways including energy, lipid, glucose and amino acid metabolism. The size- and surface chemistry-dependent metabolic responses and possible toxicity were observed using NMR analysis of biofluids. These changes may be attributed to the disturbances of hepatic, renal and cardiac functions following USPIO administrations. The potential biotoxicity can be derived from metabonomic analysis and serum biochemistry analysis. Metabonomic strategy offers a promising approach for the detection of subtle

An insight into the metabolic responses of ultra-small superparamagnetic particles of iron oxide using metabonomic analysis of biofluids

Energy Technology Data Exchange (ETDEWEB)

Feng Jianghua [Department of Physics, Fujian Key Laboratory of Plasma and Magnetic Resonance, State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen, 361005 (China); Liu Huili; Zhang Limin [State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China); Bhakoo, Kishore [Singapore Bioimaging Consortium, Agency for Science, Technology and Research (A-STAR) 138667 (Singapore); Lu Lehui, E-mail: jianghua.feng@hotmail.com, E-mail: jianghua.feng@wipm.ac.cn [State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, Jilin 130022 (China)

2010-10-01

Ultra-small superparamagnetic particles of iron oxides (USPIO) have been developed as intravenous organ/tissue-targeted contrast agents to improve magnetic resonance imaging (MRI) in vivo. However, their potential toxicity and effects on metabolism have attracted particular attention. In the present study, uncoated and dextran-coated USPIO were investigated by analyzing both rat urine and plasma metabonomes using high-resolution NMR-based metabonomic analysis in combination with multivariate statistical analysis. The wealth of information gathered on the metabolic profiles from rat urine and plasma has revealed subtle metabolic changes in response to USPIO administration. The metabolic changes include the elevation of urinary {alpha}-hydroxy-n-valerate, o- and p-HPA, PAG, nicotinate and hippurate accompanied by decreases in the levels of urinary {alpha}-ketoglutarate, succinate, citrate, N-methylnicotinamide, NAG, DMA, allantoin and acetate following USPIO administration. The changes associated with USPIO administration included a gradual increase in plasma glucose, N-acetyl glycoprotein, saturated fatty acid, citrate, succinate, acetate, GPC, ketone bodies ({beta}-hydroxybutyrate, acetone and acetoacetate) and individual amino acids, such as phenylalanine, lysine, isoleucine, glycine, glutamine and glutamate and a gradual decrease of myo-inositol, unsaturated fatty acid and triacylglycerol. Hence USPIO administration effects are reflected in changes in a number of metabolic pathways including energy, lipid, glucose and amino acid metabolism. The size- and surface chemistry-dependent metabolic responses and possible toxicity were observed using NMR analysis of biofluids. These changes may be attributed to the disturbances of hepatic, renal and cardiac functions following USPIO administrations. The potential biotoxicity can be derived from metabonomic analysis and serum biochemistry analysis. Metabonomic strategy offers a promising approach for the detection of

A urinary metabonomics analysis of long-term effect of acetochlor exposure on rats by ultra-performance liquid chromatography/mass spectrometry.

Science.gov (United States)

Li, Longxue; Wang, Maoqing; Chen, Shuhong; Zhao, Wei; Zhao, Yue; Wang, Xu; Zhang, Yang

2016-03-01

The study was to assess the long-term toxic effects of acetochlor on rats. Two different doses (42.96 and 107.4 mg/kg body weight/day) of acetochlor were administered to Wistar rats through their food for over 24 weeks. Rat urine samples were collected at two time-points for the measurements of the metabonomics profiles with ultra-performance liquid chromatography-mass spectrometry (UPLC-MSMS). The results of clinical chemistry and histopathology suggested that long-term use of acetochlor in rats caused liver and kidney damage, and dysfunction of antioxidant system. The urinary metabonomics analysis indicated that the high and low-dose exposure of acetochlor could cause alterations of these metabonomics in urine in the rat. Significant changes of the levels of hippuric acid (0.403-fold decrease), citric acid (0.430-fold decrease), pantothenic acid (0.486-fold decrease), uracil (0.419-fold decrease), β-Alanine (0.325-fold decrease), nonanedioic acid (0.445-fold decrease), L-tyrosine (0.410-fold decrease), D-glucuronic acid (8.389-fold increase) and 2-ethyl-6-methyl-N-methyl-2-chloro-acetanilide in urine were observed. In addition, it may interfere with the fatty acid synthesis, the pyrimidine degradation and pantothenate biosynthesis. The level of 2-ethyl-6-methyl-N-methyl-2-chloro-acetanilide is detected in all treated groups which is not found in the control groups, indicating which can be used as an early, sensitive marker of acetochlor exposure in rat. This study illustrates the important utility of metabonomics approaches to understand the toxicity of long-term exposure of acetochlor. Copyright © 2015. Published by Elsevier Inc.

Determination of uranium in ground water using different analytical techniques

International Nuclear Information System (INIS)

Sahu, S.K.; Maity, Sukanta; Bhangare, R.C.; Pandit, G.G.; Sharma, D.N.

2014-10-01

The concern over presence of natural radionuclides like uranium in drinking water is growing recently. The contamination of aquifers with radionuclides depends on number of factors. The geology of an area is the most important factor along with anthropogenic activities like mining, coal ash disposal from thermal power plants, use of phosphate fertilizers etc. Whatever may be the source, the presence of uranium in drinking waters is a matter of great concern for public health. Studies show that uranium is a chemo-toxic and nephrotoxic heavy metal. This chemotoxicity affects the kidneys and bones in particular. Seeing the potential health hazards from natural radionuclides in drinking water, many countries worldwide have adopted the guideline activity concentration for drinking water quality recommended by the WHO (2011). For uranium, WHO has set a limit of 30μgL-1 in drinking water. The geological distribution of uranium and its migration in environment is of interest because the element is having environmental and exposure concerns. It is of great interest to use an analytical technique for uranium analysis in water which is highly sensitive especially at trace levels, specific and precise in presence of other naturally occurring major and trace metals and needs small amount of sample. Various analytical methods based on the use of different techniques have been developed in the past for the determination of uranium in the geological samples. The determination of uranium requires high selectivity due to its strong association with other elements. Several trace level wet chemistry analytical techniques have been reported for uranium determination, but most of these involve tedious and pain staking procedures, high detection limits, interferences etc. Each analytical technique has its own merits and demerits. Comparative assessment by different techniques can provide better quality control and assurance. In present study, uranium was analysed in ground water samples

Industrial and environmental applications of nuclear analytical techniques. Report of a workshop

Energy Technology Data Exchange (ETDEWEB)

NONE

1999-11-01

The IAEA has programme the utilisation of nuclear analytical techniques (NATs), in particular for industrial and environmental applications. A major purpose is to help the developing Member States apply their analytical capabilities optimally for socio-economic progress and development. A large number of institutions in Europe, Africa, Latin America and Asia have established X ray fluorescence (XRF) and gamma ray measurement techniques and facilities for neutron activation analysis (NAA) have been initiated in institutions in these regions. Moreover, there is a growing interest among many institutes in applying more advanced analytical techniques, such as particle induced X ray emission (PIXE) and microanalytical techniques based on X ray emission induced by conventional sources or synchrotron radiation to the analysis of environmental and biological materials and industrial products. In order to define new areas of application of NATs and to extend the range of these techniques, a number of initiatives have recently been taken. It includes a workshop on industrial and environmental applications of nuclear analytical techniques, organized by the IAEA in Vienna, 7-11 September 1998. The main objectives of the workshop were as follows: (1) to review recent applications of NATs in industrial and environmental studies; (2) to identify emerging trends in methodologies and applications of NATs; (3) to demonstrate analytical capabilities of selected NATs. The following topics were reviewed during the workshop: (1) XRF and accelerator based analytical techniques; (2) portable XRF systems and their applications in industry, mineral prospecting and processing, (3) portable gamma ray spectrometers; and (4) NAA and its applications in industry and environmental studies. Micro-XRF and micro-PIXE methods and their applications in the above fields were also discussed, including aspects of synchrotron radiation induced X ray emission.

Industrial and environmental applications of nuclear analytical techniques. Report of a workshop

International Nuclear Information System (INIS)

1999-11-01

The IAEA has programme the utilisation of nuclear analytical techniques (NATs), in particular for industrial and environmental applications. A major purpose is to help the developing Member States apply their analytical capabilities optimally for socio-economic progress and development. A large number of institutions in Europe, Africa, Latin America and Asia have established X ray fluorescence (XRF) and gamma ray measurement techniques and facilities for neutron activation analysis (NAA) have been initiated in institutions in these regions. Moreover, there is a growing interest among many institutes in applying more advanced analytical techniques, such as particle induced X ray emission (PIXE) and microanalytical techniques based on X ray emission induced by conventional sources or synchrotron radiation to the analysis of environmental and biological materials and industrial products. In order to define new areas of application of NATs and to extend the range of these techniques, a number of initiatives have recently been taken. It includes a workshop on industrial and environmental applications of nuclear analytical techniques, organized by the IAEA in Vienna, 7-11 September 1998. The main objectives of the workshop were as follows: (1) to review recent applications of NATs in industrial and environmental studies; (2) to identify emerging trends in methodologies and applications of NATs; (3) to demonstrate analytical capabilities of selected NATs. The following topics were reviewed during the workshop: (1) XRF and accelerator based analytical techniques; (2) portable XRF systems and their applications in industry, mineral prospecting and processing, (3) portable gamma ray spectrometers; and (4) NAA and its applications in industry and environmental studies. Micro-XRF and micro-PIXE methods and their applications in the above fields were also discussed, including aspects of synchrotron radiation induced X ray emission

Real-time analytics techniques to analyze and visualize streaming data

CERN Document Server

Ellis, Byron

2014-01-01

Construct a robust end-to-end solution for analyzing and visualizing streaming data Real-time analytics is the hottest topic in data analytics today. In Real-Time Analytics: Techniques to Analyze and Visualize Streaming Data, expert Byron Ellis teaches data analysts technologies to build an effective real-time analytics platform. This platform can then be used to make sense of the constantly changing data that is beginning to outpace traditional batch-based analysis platforms. The author is among a very few leading experts in the field. He has a prestigious background in research, development,

Identification of key metabolic changes in renal interstitial fibrosis rats using metabonomics and pharmacology.

Science.gov (United States)

Zhao, Liangcai; Dong, Minjian; Liao, Shixian; Du, Yao; Zhou, Qi; Zheng, Hong; Chen, Minjiang; Ji, Jiansong; Gao, Hongchang

2016-06-03

Renal fibrosis is one of the important pathways involved in end-stage renal failure. Investigating the metabolic changes in the progression of disease may enhance the understanding of its pathogenesis and therapeutic information. In this study, (1)H-nuclear magnetic resonance (NMR)-based metabonomics was firstly used to screen the metabolic changes in urine and kidney tissues of renal interstitial fibrotic rats induced by unilateral ureteral obstruction (UUO), at 7, 14, 21, and 28 days after operation, respectively. The results revealed that reduced levels of bioenergy synthesis and branched chain amino acids (BCAAs), as well as elevated levels of indoxyl sulfate (IS) are involved in metabolic alterations of renal fibrosis rats. Next, by pharmacological treatment we found that reduction of IS levels could prevent the renal fibrotic symptoms. Therefore, we suggested that urinary IS may be used as a potential biomarker for the diagnosis of renal fibrosis, and a therapeutic target for drugs. Novel attempt combining metabonomics and pharmacology was established that have ability to provide more systematic diagnostic and therapeutic information of diseases.

NMR-based metabonomic analyses of the effects of ultrasmall superparamagnetic particles of iron oxide (USPIO) on macrophage metabolism

Science.gov (United States)

Feng, Jianghua; Zhao, Jing; Hao, Fuhua; Chen, Chang; Bhakoo, Kishore; Tang, Huiru

2011-05-01

The metabonomic changes in murine RAW264.7 macrophage-like cell line induced by ultrasmall superparamagnetic particles of iron oxides (USPIO) have been investigated, by analyzing both the cells and culture media, using high-resolution NMR in conjunction with multivariate statistical methods. Upon treatment with USPIO, macrophage cells showed a significant decrease in the levels of triglycerides, essential amino acids such as valine, isoleucine, and choline metabolites together with an increase of glycerophospholipids, tyrosine, phenylalanine, lysine, glycine, and glutamate. Such cellular responses to USPIO were also detectable in compositional changes of cell media, showing an obvious depletion of the primary nutrition molecules, such as glucose and amino acids and the production of end-products of glycolysis, such as pyruvate, acetate, and lactate and intermediates of TCA cycle such as succinate and citrate. At 48 h treatment, there was a differential response to incubation with USPIO in both cell metabonome and medium components, indicating that USPIO are phagocytosed and released by macrophages. Furthermore, information on cell membrane modification can be derived from the changes in choline-like metabolites. These results not only suggest that NMR-based metabonomic methods have sufficient sensitivity to identify the metabolic consequences of murine RAW264.7 macrophage-like cell line response to USPIO in vitro, but also provide useful information on the effects of USPIO on cellular metabolism.

NMR-based metabonomic analyses of the effects of ultrasmall superparamagnetic particles of iron oxide (USPIO) on macrophage metabolism

International Nuclear Information System (INIS)

Feng Jianghua; Zhao Jing; Hao Fuhua; Chen Chang; Bhakoo, Kishore; Tang, Huiru

2011-01-01

The metabonomic changes in murine RAW264.7 macrophage-like cell line induced by ultrasmall superparamagnetic particles of iron oxides (USPIO) have been investigated, by analyzing both the cells and culture media, using high-resolution NMR in conjunction with multivariate statistical methods. Upon treatment with USPIO, macrophage cells showed a significant decrease in the levels of triglycerides, essential amino acids such as valine, isoleucine, and choline metabolites together with an increase of glycerophospholipids, tyrosine, phenylalanine, lysine, glycine, and glutamate. Such cellular responses to USPIO were also detectable in compositional changes of cell media, showing an obvious depletion of the primary nutrition molecules, such as glucose and amino acids and the production of end-products of glycolysis, such as pyruvate, acetate, and lactate and intermediates of TCA cycle such as succinate and citrate. At 48 h treatment, there was a differential response to incubation with USPIO in both cell metabonome and medium components, indicating that USPIO are phagocytosed and released by macrophages. Furthermore, information on cell membrane modification can be derived from the changes in choline-like metabolites. These results not only suggest that NMR-based metabonomic methods have sufficient sensitivity to identify the metabolic consequences of murine RAW264.7 macrophage-like cell line response to USPIO in vitro, but also provide useful information on the effects of USPIO on cellular metabolism.

(1)H NMR-based metabonomics revealed protective effect of Naodesheng bioactive extract on ischemic stroke rats.

Science.gov (United States)

Luo, Lan; Zhen, Lifeng; Xu, Yatao; Yang, Yongxia; Feng, Suxiang; Wang, Shumei; Liang, Shengwang

2016-06-20

Stroke is a leading cause of death and disability in the world. However, current therapies are limited. Naodesheng, a widely used traditional Chinese medicine prescription, has shown a good clinical curative effect on ischemic stroke. Also, Naodesheng has been suggested to have neuroprotective effect on focal cerebral ischemia rats, but the underlying molecular mechanism remains unclear. The present study was designed to evaluate the effect of Naodesheng bioactive extract on the metabolic changes in brain tissue, plasma and urine induced by cerebral ischemia perfusion injury, and explore the possible metabolic mechanisms by using a (1)H NMR-based metabonomics approach. A middle cerebral artery occlusion rat model was established and confirmed by the experiments of neurobehavioral abnormality evaluation, brain tissue TTC staining and pathological examination. The metabolic changes in brain tissue, plasma and urine were then assessed by a (1)H NMR technique combined with multivariate statistical analysis method. These NMR data showed that cerebral ischemia reperfusion induced great metabolic disorders in brain tissue, plasma and urine metabolisms. However, Naodesheng bioactive extract could reverse most of the imbalanced metabolites. Meanwhile, it was found that both the medium and high dosages of Naodesheng bioactive extract were more effective on the metabolic changes than the low dosage, consistent with histopathological assessments. These results revealed that Naodesheng had protective effect on ischemic stroke rats and the underlying mechanisms involved multiple metabolic pathways, including energy metabolism, amino acid metabolism, oxidative stress and inflammatory injury. The present study could provide evidence that metabonomics revealed its capacity to evaluate the holistic efficacy of traditional Chinese medicine and explore the underlying mechanisms. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Nuclear analytical techniques in medicine

International Nuclear Information System (INIS)

Cesareo, R.

1988-01-01

This book acquaints one with the fundamental principles and the instrumentation relevant to analytical technique based on atomic and nuclear physics, as well as present and future biomedical applications. Besides providing a theoretical description of the physical phenomena, a large part of the book is devoted to applications in the medical and biological field, particularly in hematology, forensic medicine and environmental science. This volume reviews methods such as the possibility of carrying out rapid multi-element analysis of trace elements on biomedical samples, in vitro and in vivo, by XRF-analysis; the ability of the PIXE-microprobe to analyze in detail and to map trace elements in fragments of biomedical samples or inside the cells; the potentiality of in vivo nuclear activation analysis for diagnostic purposes. Finally, techniques are described such as radiation scattering (elastic and inelastic scattering) and attenuation measurements which will undoubtedly see great development in the immediate future

Nuclear analytical techniques in medicine

Energy Technology Data Exchange (ETDEWEB)

Cesareo, R.

1988-01-01

This book acquaints one with the fundamental principles and the instrumentation relevant to analytical technique based on atomic and nuclear physics, as well as present and future biomedical applications. Besides providing a theoretical description of the physical phenomena, a large part of the book is devoted to applications in the medical and biological field, particularly in hematology, forensic medicine and environmental science. This volume reviews methods such as the possibility of carrying out rapid multi-element analysis of trace elements on biomedical samples, in vitro and in vivo, by XRF-analysis; the ability of the PIXE-microprobe to analyze in detail and to map trace elements in fragments of biomedical samples or inside the cells; the potentiality of in vivo nuclear activation analysis for diagnostic purposes. Finally, techniques are described such as radiation scattering (elastic and inelastic scattering) and attenuation measurements which will undoubtedly see great development in the immediate future.

INVESTIGATING THE ENANTIOSELECTIVE TOXICITY OF CONAZOLE FUNGICIDES IN RAINBOW TROUT THROUGH THE USE OF NMR BASED METABONOMICS

Science.gov (United States)

In support of the Environmental Protection Agency's Computational Toxicology Program, metabonomics, the quantitative measurement of a broad spectrum of metabolic responses of living systems in response to disease onset or genetic modification, is being employed to enable rapid id...

ANALYTICAL TECHNIQUES FOR THE DETERMINATION OF MELOXICAM IN PHARMACEUTICAL FORMULATIONS AND BIOLOGICAL SAMPLES

Directory of Open Access Journals (Sweden)

Aisha Noreen

2016-06-01

Full Text Available Meloxicam (MX belongs to the family of oxicams which is the most important group of non steroidal anti-inflammatory drugs (NSAIDs and is widely used for their analgesics and antipyretic activities. It inhibits both COX-I and COX-II enzymes with less gastric and local tissues irritation. A number of analytical techniques have been used for the determination of MX in pharmaceutical as well as in biological fluids. These techniques include titrimetry, spectrometry, chromatography, flow injection spectrometry, fluorescence spectrometry, capillary zone electrophoresis and electrochemical techniques. Many of these techniques have also been used for the simultaneous determination of MX with other compounds. A comprehensive review of these analytical techniques has been done which could be useful for the analytical chemists and quality control pharmacists.

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

Directory of Open Access Journals (Sweden)

Lakshmi Narayana Suvarapu

2015-01-01

Full Text Available 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.

Ehrlich and sarcoma 180 tumour characterisation and early detection by 1H NMR-based metabonomics of mice serum

International Nuclear Information System (INIS)

Grandizoli, Caroline W.P. da S.; Simonelli, Fabio; Nagata, Noemi; Barison, Andersson; Carrenho, Luise Z.B.; Francisco, Thais M.G. de; Campos, Francinete R.; Santana Filho, Arquimedes P. de; Sassaki, Guilherme L.; Kreuger, Maria R.O.

2014-01-01

The success of cancer treatment is directly related to early detection before symptoms emerge, although nowadays few cancers can be detected early. In this sense, 1 H nuclear magnetic resonance ( 1 H NMR)-based metabonomics was used to identify metabolic changes in biofluid as a consequence of tumours growing in mice. Through partial least squares discriminant analysis (PLS-DA) analysis of 1 H NMR spectra from serum samples it was possible to diagnose Ehrlich ascites and Sarcoma 180 tumours five and ten days after cell inoculation, respectively. Lipids, lipoproteins and lactate were the main biomarkers at onset as well as in the progress of carcinogenic process. Thus, NMR-based metabonomics can be a valuable tool to study the effects of tumour establishment on the chemical composition of biofluids. (author)

Conference on Nuclear and Conventional Analytical Techniques and their Applications

International Nuclear Information System (INIS)

2010-01-01

Full text : A panoply analytic techniques methods has emerged in recent decades due to the challenges of society in quality of products and the increasing demand of chemical analysis services. The industrial progress which came along with an instrumental perfection of devices with analytical use, led to the development of new techniques more and more advanced in this field. These come as well, to answer the disturbing effects of this industrialization and the wishes of a public increasingly conscious and requiring globally. The leaders in this field of analysis and material characterization are more than ever confronted with problems of identification and quantification of different chemical forms of a multitude of products in varied circles; Industrial pollutants, soil, water, air, food, medicines, ceramics, concrete, plants etc. It was from that perspective that the unifying theme ''geomaterials: characterization to applications '' of the conference on nuclear and conventional analytical techniques and their applications (TANCA 2010) was chosen. It contributes to the debate of these subjects and builds relationships between stakeholders in this field, both technically and practically [fr

1H-NMR METABONOMICS ANALYSIS OF SERA DIFFERENTIATES BETWEEN MAMMARY TUMOR-BEARING MICE AND HEALTHY CONTROLS

Science.gov (United States)

Global analysis of 1H-NMR spectra of serum is an appealing approach for the rapid detection of cancer. To evaluate the usefulness of this method in distinguishing between mammary tumor-bearing mice and healthy controls, we conducted 1H-NMR metabonomic analyses on serum samples ob...

Calcium-deficiency assessment and biomarker identification by an integrated urinary metabonomics analysis

Science.gov (United States)

2013-01-01

Background Calcium deficiency is a global public-health problem. Although the initial stage of calcium deficiency can lead to metabolic alterations or potential pathological changes, calcium deficiency is difficult to diagnose accurately. Moreover, the details of the molecular mechanism of calcium deficiency remain somewhat elusive. To accurately assess and provide appropriate nutritional intervention, we carried out a global analysis of metabolic alterations in response to calcium deficiency. Methods The metabolic alterations associated with calcium deficiency were first investigated in a rat model, using urinary metabonomics based on ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry and multivariate statistical analysis. Correlations between dietary calcium intake and the biomarkers identified from the rat model were further analyzed to confirm the potential application of these biomarkers in humans. Results Urinary metabolic-profiling analysis could preliminarily distinguish between calcium-deficient and non-deficient rats after a 2-week low-calcium diet. We established an integrated metabonomics strategy for identifying reliable biomarkers of calcium deficiency using a time-course analysis of discriminating metabolites in a low-calcium diet experiment, repeating the low-calcium diet experiment and performing a calcium-supplement experiment. In total, 27 biomarkers were identified, including glycine, oxoglutaric acid, pyrophosphoric acid, sebacic acid, pseudouridine, indoxyl sulfate, taurine, and phenylacetylglycine. The integrated urinary metabonomics analysis, which combined biomarkers with regular trends of change (types A, B, and C), could accurately assess calcium-deficient rats at different stages and clarify the dynamic pathophysiological changes and molecular mechanism of calcium deficiency in detail. Significant correlations between calcium intake and two biomarkers, pseudouridine (Pearson

Analytical Techniques and the Air Force Logistics Readiness Officer

National Research Council Canada - National Science Library

Main, Bryan D

2008-01-01

.... Over 500 LROs and supervisors provided inputs. Analysis of survey responses found that Forecasting, Graphical Statistics, and Descriptive Statistics are the analytical techniques valued most by both LROs and their supervisors...

Ischemic stroke progress evaluation by {sup 31}P NMR-based metabonomic of human serum

Energy Technology Data Exchange (ETDEWEB)

Grandizoli, Caroline W.P.S.; Barison, Andersson, E-mail: andernmr@ufpr.br [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Departamento de Quimica. Centro de RMN; Lange, Marcos C.; Novak, Felipe T. M. [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Hospital de Clínicas. Divisao de Neurologia; Campos, Francinete R. [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Departmento de Farmacia

2014-07-01

In this work, chemometric analyses over {sup 31}P{"1"H} NMR (nuclear magnetic resonance) spectra of human blood serum permitted to discriminated ischemic stroke patients from health individuals due to changes in the chemical composition of phosphorus-containing compounds. These results indicate that {sup 31}P NMR-based metabonomic allowed insights over the mechanism triggered by ischemic stroke. (author)

Metabonomics for detection of nuclear materials processing

International Nuclear Information System (INIS)

Alam, Todd Michael; Luxon, Bruce A.; Neerathilingam, Muniasamy; Ansari, S.; Volk, David; Sarkar, S.; Alam, Mary Kathleen

2010-01-01

Tracking nuclear materials production and processing, particularly covert operations, is a key national security concern, given that nuclear materials processing can be a signature of nuclear weapons activities by US adversaries. Covert trafficking can also result in homeland security threats, most notably allowing terrorists to assemble devices such as dirty bombs. Existing methods depend on isotope analysis and do not necessarily detect chronic low-level exposure. In this project, indigenous organisms such as plants, small mammals, and bacteria are utilized as living sensors for the presence of chemicals used in nuclear materials processing. Such 'metabolic fingerprinting' (or 'metabonomics') employs nuclear magnetic resonance (NMR) spectroscopy to assess alterations in organismal metabolism provoked by the environmental presence of nuclear materials processing, for example the tributyl phosphate employed in the processing of spent reactor fuel rods to extract and purify uranium and plutonium for weaponization.

Altered metabolism of growth hormone receptor mutant mice: a combined NMR metabonomics and microarray study.

Directory of Open Access Journals (Sweden)

Horst Joachim Schirra

Full Text Available BACKGROUND: Growth hormone is an important regulator of post-natal growth and metabolism. We have investigated the metabolic consequences of altered growth hormone signalling in mutant mice that have truncations at position 569 and 391 of the intracellular domain of the growth hormone receptor, and thus exhibit either low (around 30% maximum or no growth hormone-dependent STAT5 signalling respectively. These mutations result in altered liver metabolism, obesity and insulin resistance. METHODOLOGY/PRINCIPAL FINDINGS: The analysis of metabolic changes was performed using microarray analysis of liver tissue and NMR metabonomics of urine and liver tissue. Data were analyzed using multivariate statistics and Gene Ontology tools. The metabolic profiles characteristic for each of the two mutant groups and wild-type mice were identified with NMR metabonomics. We found decreased urinary levels of taurine, citrate and 2-oxoglutarate, and increased levels of trimethylamine, creatine and creatinine when compared to wild-type mice. These results indicate significant changes in lipid and choline metabolism, and were coupled with increased fat deposition, leading to obesity. The microarray analysis identified changes in expression of metabolic enzymes correlating with alterations in metabolite concentration both in urine and liver. Similarity of mutant 569 to the wild-type was seen in young mice, but the pattern of metabolites shifted to that of the 391 mutant as the 569 mice became obese after six months age. CONCLUSIONS/SIGNIFICANCE: The metabonomic observations were consistent with the parallel analysis of gene expression and pathway mapping using microarray data, identifying metabolites and gene transcripts involved in hepatic metabolism, especially for taurine, choline and creatinine metabolism. The systems biology approach applied in this study provides a coherent picture of metabolic changes resulting from impaired STAT5 signalling by the growth hormone

Exploring high-resolution magic angle spinning (HR-MAS) NMR spectroscopy for metabonomic analysis of apples.

Science.gov (United States)

Vermathen, Martina; Marzorati, Mattia; Vermathen, Peter

2012-01-01

Classical liquid-state high-resolution (HR) NMR spectroscopy has proved a powerful tool in the metabonomic analysis of liquid food samples like fruit juices. In this paper the application of (1)H high-resolution magic angle spinning (HR-MAS) NMR spectroscopy to apple tissue is presented probing its potential for metabonomic studies. The (1)H HR-MAS NMR spectra are discussed in terms of the chemical composition of apple tissue and compared to liquid-state NMR spectra of apple juice. Differences indicate that specific metabolic changes are induced by juice preparation. The feasibility of HR-MAS NMR-based multivariate analysis is demonstrated by a study distinguishing three different apple cultivars by principal component analysis (PCA). Preliminary results are shown from subsequent studies comparing three different cultivation methods by means of PCA and partial least squares discriminant analysis (PLS-DA) of the HR-MAS NMR data. The compounds responsible for discriminating organically grown apples are discussed. Finally, an outlook of our ongoing work is given including a longitudinal study on apples.

A (1H NMR-Based Metabonomic Investigation of Time-Related Metabolic Trajectories of the Plasma, Urine and Liver Extracts of Hyperlipidemic Hamsters.

Directory of Open Access Journals (Sweden)

Chun-Ying Jiang

Full Text Available The hamster has been previously found to be a suitable model to study the changes associated with diet-induced hyperlipidemia in humans. Traditionally, studies of hyperlipidemia utilize serum- or plasma-based biochemical assays and histopathological evaluation. However, unbiased metabonomic technologies have the potential to identify novel biomarkers of disease. Thus, to obtain a better understanding of the progression of hyperlipidemia and discover potential biomarkers, we have used a proton nuclear magnetic resonance spectroscopy ((1H-NMR-based metabonomics approach to study the metabolic changes occurring in the plasma, urine and liver extracts of hamsters fed a high-fat/high-cholesterol diet. Samples were collected at different time points during the progression of hyperlipidemia, and individual proton NMR spectra were visually and statistically assessed using two multivariate analyses (MVA: principal component analysis (PCA and orthogonal partial least squares-discriminant analysis (OPLS-DA. Using the commercial software package Chenomx NMR suite, 40 endogenous metabolites in the plasma, 80 in the urine and 60 in the water-soluble fraction of liver extracts were quantified. NMR analysis of all samples showed a time-dependent transition from a physiological to a pathophysiological state during the progression of hyperlipidemia. Analysis of the identified biomarkers of hyperlipidemia suggests that significant perturbations of lipid and amino acid metabolism, as well as inflammation, oxidative stress and changes in gut microbiota metabolites, occurred following cholesterol overloading. The results of this study substantially broaden the metabonomic coverage of hyperlipidemia, enhance our understanding of the mechanism of hyperlipidemia and demonstrate the effectiveness of the NMR-based metabonomics approach to study a complex disease.

Diagnosis of coinfection by schistosomiasis and viral hepatitis B or C using 1H NMR-based metabonomics.

Science.gov (United States)

Gouveia, Liana Ribeiro; Santos, Joelma Carvalho; Silva, Ronaldo Dionísio; Batista, Andrea Dória; Domingues, Ana Lúcia Coutinho; Lopes, Edmundo Pessoa de Almeida; Silva, Ricardo Oliveira

2017-01-01

Diagnosis of liver involvement due to schistosomiasis in asymptomatic patients from endemic areas previously diagnosed with chronic hepatitis B (HBV) or C (HCV) and periportal fibrosis is challenging. H-1 Nuclear Magnetic Resonance (NMR)-based metabonomics strategy is a powerful tool for providing a profile of endogenous metabolites of low molecular weight in biofluids in a non-invasive way. The aim of this study was to diagnose periportal fibrosis due to schistosomiasis mansoni in patients with chronic HBV or HCV infection through NMR-based metabonomics models. The study included 40 patients divided into two groups: (i) 18 coinfected patients with schistosomiasis mansoni and HBV or HCV; and (ii) 22 HBV or HCV monoinfected patients. The serum samples were analyzed through H-1 NMR spectroscopy and the models were based on Principal Component Analysis (PCA) and Partial Least Squares-Discriminant Analysis (PLS-DA). Ultrasonography examination was used to ascertain the diagnosis of periportal fibrosis. Exploratory analysis showed a clear separation between coinfected and monoinfected samples. The supervised model built from PLS-DA showed accuracy, R2 and Q2 values equal to 100%, 98.1% and 97.5%, respectively. According to the variable importance in the projection plot, lactate serum levels were higher in the coinfected group, while the signals attributed to HDL serum cholesterol were more intense in the monoinfected group. The metabonomics models constructed in this study are promising as an alternative tool for diagnosis of periportal fibrosis by schistosomiasis in patients with chronic HBV or HCV infection from endemic areas for Schistosoma mansoni.

Nuclear analytical techniques with neutron beams at the Univ. of Texas at Austin

International Nuclear Information System (INIS)

Uenlue, K.; Wehring, B.W.

1996-01-01

Neutron beams produced by nuclear research reactors can be used for analytical chemical analysis by measuring nuclear radiation produced by neutron capture. Prompt gamma activation analysis (PGAA) and neutron depth profiling (NDP) are two such analytical techniques. For the last three decades, these techniques have been applied at a number of research reactors around the world. Within the last 4 yr, we have developed NDP and PGAA facilities at The University of Texas at Austin research reactor, a 1-MW TRIGA Mark II reactor. Brief descriptions of the facilities and summaries of activities for these analytical techniques at the University of Texas at Austin are provided in this paper

Ehrlich and sarcoma 180 tumour characterisation and early detection by {sup 1}H NMR-based metabonomics of mice serum

Energy Technology Data Exchange (ETDEWEB)

Grandizoli, Caroline W.P. da S.; Simonelli, Fabio; Nagata, Noemi; Barison, Andersson [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Dept. de Quimica; Carrenho, Luise Z.B.; Francisco, Thais M.G. de; Campos, Francinete R. [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Dept. de Farmacia; Santana Filho, Arquimedes P. de; Sassaki, Guilherme L. [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Dept. de Bioquimica; Kreuger, Maria R.O. [Universidade do Vale do Itajai (UNIVALI), (Brazil). Centro de Ciencias da Saude

2014-05-15

The success of cancer treatment is directly related to early detection before symptoms emerge, although nowadays few cancers can be detected early. In this sense, {sup 1}H nuclear magnetic resonance ({sup 1}H NMR)-based metabonomics was used to identify metabolic changes in biofluid as a consequence of tumours growing in mice. Through partial least squares discriminant analysis (PLS-DA) analysis of {sup 1}H NMR spectra from serum samples it was possible to diagnose Ehrlich ascites and Sarcoma 180 tumours five and ten days after cell inoculation, respectively. Lipids, lipoproteins and lactate were the main biomarkers at onset as well as in the progress of carcinogenic process. Thus, NMR-based metabonomics can be a valuable tool to study the effects of tumour establishment on the chemical composition of biofluids. (author)

Urinary metabonomics study on toxicity biomarker discovery in rats treated with Xanthii Fructus.

Science.gov (United States)

Lu, Fang; Cao, Min; Wu, Bin; Li, Xu-zhao; Liu, Hong-yu; Chen, Da-zhong; Liu, Shu-min

2013-08-26

Xanthii Fructus (XF) is commonly called "Cang-Erzi" in traditional Chinese medicine (TCM) and widely used for the treatment of sinusitis, headache, rheumatism, and skin itching. However, the clinical utilization of XF is relatively restricted owing to its toxicity. To discover the characteristic potential biomarkers in rats treated with XF by urinary metabonomics. Ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) was applied in the study. The total ion chromatograms obtained from control and different dosage groups were distinguishable by a multivariate statistical analysis method. The greatest difference in metabolic profile was observed between high dosage group and control group, and the metabolic characters in rats treated with XF were perturbed in a dose-dependent manner. The metabolic changes in response for XF treatment were observed in urinary samples, which were revealed by orthogonal projection to latent structures discriminate analysis (OPLS-DA), and 10 metabolites could be served as the potential toxicity biomarkers. In addition, the mechanism associated with the damages of lipid per-oxidation and the metabolic disturbances of fatty acid oxidation were investigated. These results indicate that metabonomics analysis in urinary samples may be useful for predicting the toxicity induced by XF. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Quality system implementation for nuclear analytical techniques

International Nuclear Information System (INIS)

2004-01-01

techniques. The methodology provided is appropriate for: (a) Analysis of radionuclides as in alpha, beta, and gamma spectrometry for environmental and human-made radioactivity investigations; (b) Analysis of trace, minor and major elements using nuclear and related analytical techniques such as neutron activation analysis, X ray fluorescence, PIXE, etc. This training guidebook can be used by staff of analytical laboratories as a starting kit to better understand the quality assurance and quality control principles as prescribed in the ISO 17025 standard. It follows a logical order related to practical laboratory work rather than the formal clauses as given by the standard. It can be used as a stand alone textbook. However, in some cases, cross-reference is given to the ISO 17025 clauses hence it is recommended to consult the ISO standard for exact wording of specific requirements

Metabonomic Analysis Reveals Efficient Ameliorating Effects of Acupoint Stimulations on the Menopause-caused Alterations in Mammalian Metabolism

Science.gov (United States)

Zhang, Limin; Wang, Yulan; Xu, Yunxiang; Lei, Hehua; Zhao, Ying; Li, Huihui; Lin, Xiaosheng; Chen, Guizhen; Tang, Huiru

2014-01-01

Acupoint stimulations are effective in ameliorating symptoms of menopause which is an unavoidable ageing consequence for women. To understand the mechanistic aspects of such treatments, we systematically analyzed the effects of acupoint laser-irradiation and catgut-embedding on the ovariectomy-induced rat metabolic changes using NMR and GC-FID/MS methods. Results showed that ovariectomization (OVX) caused comprehensive metabolic changes in lipid peroxidation, glycolysis, TCA cycle, choline and amino acid metabolisms. Both acupoint laser-irradiation and catgut-embedding ameliorated the OVX-caused metabonomic changes more effectively than hormone replacement therapy (HRT) with nilestriol. Such effects of acupoint stimulations were highlighted in alleviating lipid peroxidation, restoring glucose homeostasis and partial reversion of the OVX-altered amino acid metabolism. These findings provided new insights into the menopause effects on mammalian biochemistry and beneficial effects of acupoint stimulations in comparison with HRT, demonstrating metabonomics as a powerful approach for potential applications in disease prognosis and developments of effective therapies.

Contactless conductivity detection for analytical techniques — Developments from 2014 to 2016

Czech Academy of Sciences Publication Activity Database

Kubáň, Pavel; Hauser, P.C.

2017-01-01

Roč. 38, č. 1 (2017), s. 95-114 ISSN 0173-0835 R&D Projects: GA ČR(CZ) GA16-09135S Institutional support: RVO:68081715 Keywords : capacitively coupled contactless conductivity detection * capillary electrophoresis * contactless conductivity detection * analytical techniques * review Subject RIV: CB - Analytical Chemistry, Separation OBOR OECD: Analytical chemistry Impact factor: 2.744, year: 2016

Metabonomics for detection of nuclear materials processing.

Energy Technology Data Exchange (ETDEWEB)

Alam, Todd Michael; Luxon, Bruce A. (University Texas Medical Branch); Neerathilingam, Muniasamy (University Texas Medical Branch); Ansari, S. (University Texas Medical Branch); Volk, David (University Texas Medical Branch); Sarkar, S. (University Texas Medical Branch); Alam, Mary Kathleen

2010-08-01

Tracking nuclear materials production and processing, particularly covert operations, is a key national security concern, given that nuclear materials processing can be a signature of nuclear weapons activities by US adversaries. Covert trafficking can also result in homeland security threats, most notably allowing terrorists to assemble devices such as dirty bombs. Existing methods depend on isotope analysis and do not necessarily detect chronic low-level exposure. In this project, indigenous organisms such as plants, small mammals, and bacteria are utilized as living sensors for the presence of chemicals used in nuclear materials processing. Such 'metabolic fingerprinting' (or 'metabonomics') employs nuclear magnetic resonance (NMR) spectroscopy to assess alterations in organismal metabolism provoked by the environmental presence of nuclear materials processing, for example the tributyl phosphate employed in the processing of spent reactor fuel rods to extract and purify uranium and plutonium for weaponization.

A Visual Analytics Technique for Identifying Heat Spots in Transportation Networks

Directory of Open Access Journals (Sweden)

Marian Sorin Nistor

2016-12-01

Full Text Available The decision takers of the public transportation system, as part of urban critical infrastructures, need to increase the system resilience. For doing so, we identified analysis tools for biological networks as an adequate basis for visual analytics in that domain. In the paper at hand we therefore translate such methods for transportation systems and show the benefits by applying them on the Munich subway network. Here, visual analytics is used to identify vulnerable stations from different perspectives. The applied technique is presented step by step. Furthermore, the key challenges in applying this technique on transportation systems are identified. Finally, we propose the implementation of the presented features in a management cockpit to integrate the visual analytics mantra for an adequate decision support on transportation systems.

Pre-concentration technique for reduction in "Analytical instrument requirement and analysis"

Science.gov (United States)

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.

Study on correspondence between prescription and syndrome and the essence of phlegm and blood stasis syndrome in coronary heart disease based on metabonomics.

Science.gov (United States)

Lu, Xiao-yan; Xu, Hao; Li, Geng; Zhao, Tie

2014-01-01

Studying the essence of a syndrome has been a key challenge in the field of Chinese medicine. Until now, due to limitations of the methods available, the progress towards understanding such complicated systems has been slow. Metabonomics encompasses the dynamics, composition and analysis of metabolites, enabling the observation of changes in the metabolic network of the human body associated with disease. Being from the point of view of the whole organism, metabonomics provides an opportunity to study the essence of a syndrome to an unprecedented level. Phlegm and blood stasis syndrome is the main syndrome associated with coronary heart disease (CHD), which bring difficulties in clinical treatment due to difficulties associated with differentiation of symptoms and signs. The fundamental differences of material between the two also need to be interpreted. The authors consider that we can use the method of combining a disease (in this case CHD) with associated syndromes (phlegm and blood stasis syndrome) to select patients with phlegm and blood stasis syndrome of CHD, and utilize metabonomics to explore the essence of the syndrome by difference analysis of metabolite spectra. Meanwhile, we can study the syndrome in CM, observe the change regularity of metabolism spectra after the treatment of corresponding and non-corresponding prescription and syndrome, in order to validate the material fundament in the progress of syndrome formation and their differences. This will not only have great significance in enhancing the ability to identify syndrome of phlegm and blood stasis in CHD and to establish the clinical curative criteria, but will also offer a new approach of studying the essence for a syndrome using metabonomics.

Creatine-induced activation of antioxidative defence in myotube cultures revealed by explorative NMR-based metabonomics and proteomics

DEFF Research Database (Denmark)

Young, Jette Feveile; Larsen, Lotte Bach; Malmendal, Anders

2010-01-01

Creatine is a key intermediate in energy metabolism and supplementation of creatine has been used for increasing muscle mass, strength and endurance. Creatine supplementation has also been reported to trigger the skeletal muscle expression of insulin like growth factor I, to increase the fat......-free mass and improve cognition in elderly, and more explorative approaches like transcriptomics has revealed additional information. The aim of the present study was to reveal additional insight into the biochemical effects of creatine supplementation at the protein and metabolite level by integrating...... the explorative techniques, proteomics and NMR metabonomics, in a systems biology approach. METHODS: Differentiated mouse myotube cultures (C2C12) were exposed to 5 mM creatine monohydrate (CMH) for 24 hours. For proteomics studies, lysed myotubes were analyzed in single 2-DGE gels where the first dimension...

International conference on isotopic and nuclear analytical techniques for health and environment. Book of abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

2003-07-01

Decision makers and stakeholders are becoming increasingly dependent on reliable chemical measurements that serve as a basis for decisions related to health, consumer safety, commerce, environment protection and compliance to regulations. Several millions of analytical results are produced annually, thus consuming appreciable amounts of resources. Reliability of these data is of major concern if cost-benefit figures are applied. Nuclear and isotopic analytical techniques (NATs) have been supported by the IAEA as part of their mandate to foster the peaceful use of nuclear energy for many years. Nuclear analytical laboratories have been installed and upgraded through Technical Co-operation assistance in many Member State laboratories. These techniques, including INAA, XRF, PIXE, stable and radioisotopes, spectrometroscopy, etc. have been applied to a wide range of subjects with varying success. Nuclear analytical techniques, featuring some intrinsic quality control aspects, such as multi-nuclide analysis, frequently serve as 'reference methods' to cross-check critical results. As nuclear properties of elements are targeted, matrix problems seem to be negligible to a great extent. The International Conference on Isotopic and Nuclear Analytical Techniques for Health and Environment was held 10-13 June 2003 in Vienna, Austria. The main purpose of this Conference was to bring together scientists, technologists, representatives of industry and regulatory authorities to exchange information and review the status of current developments and applications of isotopic and nuclear analytical techniques, and to discuss future trends and developments. A further objective is to identify potential opportunities for developing countries for applying isotopic and nuclear analytical techniques in health and environmental studies, and to consider the promotion and transfer of such technology. International developments and trends in health care, nutrition, and environmental monitoring

Application of advanced nuclear and instrumental analytical techniques for characterisation of environmental materials

International Nuclear Information System (INIS)

Sudersanan, M.; Pawaskar, P.B.; Kayasth, S.R.; Kumar, S.C.

2002-01-01

Full text: Increasing realisation about the toxic effects of metal ions in environmental materials has given an impetus to research on analytical techniques for their characterization. The large number of analytes present at very low levels has necessitated the use of sensitive, selective and element specific techniques for their characterization. The concern about precision and accuracy on such analysis, which have socio-economic bearing, has emphasized the use of Certified Reference Materials and the use of multi-technique approach for the unambiguous characterization of analytes. The recent work carried out at Analytical Chemistry Division, BARC on these aspects is presented in this paper. Increasing use of fossil fuels has led to the generation of large quantities of fly ash which pose problems of safe disposal. The utilization of these materials for land filling is an attractive option but the presence of trace amounts of toxic metals like mercury, arsenic, lead etc may cause environmental problems. In view of the inhomogeneous nature of the material, efficient sample processing is an important factor, in addition to the validation of the results by the use of proper standards. Analysis was carried out on flyash samples received as reference materials and also as samples from commercial sources using a combination of both nuclear techniques like INAA and RNAA as well as other techniques like AAS, ICPAES, cold vapour AAS for mercury and hydride generation technique for arsenic. Similar analysis using nuclear techniques was employed for the characterization of air particulates. Biological materials often serve as sensitive indicator materials for pollution measurements. They are also employed for studies on the uptake of toxic metals like U, Th, Cd, Pb, Hg etc. The presence of large amounts of organic materials in them necessitate an appropriate sample dissolution procedure. In view of the possibility of loss of certain analytes like Cd, Hg, As, by high

Metabonomics revealed xanthine oxidase-induced oxidative stress and inflammation in the pathogenesis of diabetic nephropathy.

Science.gov (United States)

Liu, Jingping; Wang, Chengshi; Liu, Fang; Lu, Yanrong; Cheng, Jingqiu

2015-03-01

Diabetic nephropathy (DN) is a serious complication of diabetes mellitus (DM), which is a major public health problem in the world. To reveal the metabolic changes associated with DN, we analyzed the serum, urine, and renal extracts obtained from control and streptozotocin (STZ)-induced DN rats by (1)H NMR-based metabonomics and multivariate data analysis. A significant difference between control and DN rats was revealed in metabolic profiles, and we identified several important DN-related metabolites including increased levels of allantoin and uric acid (UA) in the DN rats, suggesting that disturbed purine metabolism may be involved in the DN. Combined with conventional histological and biological methods, we further demonstrated that xanthine oxidase (XO), a key enzyme for purine catabolism, was abnormally activated in the kidney of diabetic rats by hyperglycemia. The highly activated XO increased the level of intracellular ROS, which caused renal injury by direct oxidative damage to renal cells, and indirect inducing inflammatory responses via activating NF-κB signaling pathway. Our study highlighted that metabonomics is a promising tool to reveal the metabolic changes and the underlying mechanism involved in the pathogenesis of DN.

Evaluating empirical/analytical techniques to predict structural integrity of pipe containing surface flaws

International Nuclear Information System (INIS)

Reuter, W.G.; Server, W.L.

1982-01-01

Data from flat-plate specimens containing either triangular-, ellipsoidal- or rectangular-shaped surface flaws were evaluated by several potential analytical techniques. These techniques were modified as needed to predict conditions for initiation of subcritical crack growth, for the defect to penetrate the 6.4 mm (0.25 in.) wall thickness, and for instability (plastic or unstable). The modified analytical techniques developed from the plate specimens were then used to make predictions which are compared with test results obtained from pipe specimens containing triangular-shaped surface flaws

Structural level characterization of base oils using advanced analytical techniques

KAUST Repository

Hourani, Nadim; Muller, Hendrik; Adam, Frederick M.; Panda, Saroj K.; Witt, Matthias; Al-Hajji, Adnan A.; Sarathy, Mani

2015-01-01

cyclotron resonance mass spectrometry (FT-ICR MS) equipped with atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI) sources. First, the capabilities and limitations of each analytical technique were evaluated

A metabonomic evaluation of the monocrotaline-induced sinusoidal obstruction syndrome (SOS) in rats

International Nuclear Information System (INIS)

Conotte, R.; Colet, J.-M.

2014-01-01

The main curative treatment of colorectal cancer remains the surgery. However, when metastases are suspected, surgery is followed by a preventive chemotherapy using oxaliplatin which, unfortunately, may cause liver sinusoidal obstruction syndrome (SOS). Such hepatic damage is barely detected during or after chemotherapy due to a lack of effective diagnostic procedures, but liver biopsy. The primary objective of the present study was to identify potential early diagnosis biomarkers of SOS using a metabonomic approach. SOS was induced in rats by monocrotaline, a prototypical toxic substance. 1 H NMR spectroscopy analysis of urine samples collected from rats treated with monocrotaline showed significant metabolic changes as compared to controls. During a first phase, cellular protective mechanisms such as an increased synthesis of GSH (reduced taurine) and the recruitment of cell osmolytes in the liver (betaine) were seen. In the second phase, the disturbance of the urea cycle (increased ornithine and urea reduction) leading to the depletion of NO, the alteration in the GSH synthesis (increased creatine and GSH precursors (glutamate, dimethylglycine and sarcosine)), and the liver necrosis (decrease taurine and increase creatine) all indicate the development of SOS. - Highlights: • Urine metabonomic profiles of SOS have been identified. • Urine osmoprotectants and anti-oxidants indicated an initial liver protection. • Liver necrosis was demonstrated by increased urine levels of taurine and creatine. • NO depletion was suggested by changes in ornithine and urea

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

Science.gov (United States)

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.

Analysis of Cultural Heritage by Accelerator Techniques and Analytical Imaging

Science.gov (United States)

Ide-Ektessabi, Ari; Toque, Jay Arre; Murayama, Yusuke

2011-12-01

In this paper we present the result of experimental investigation using two very important accelerator techniques: (1) synchrotron radiation XRF and XAFS; and (2) accelerator mass spectrometry and multispectral analytical imaging for the investigation of cultural heritage. We also want to introduce a complementary approach to the investigation of artworks which is noninvasive and nondestructive that can be applied in situ. Four major projects will be discussed to illustrate the potential applications of these accelerator and analytical imaging techniques: (1) investigation of Mongolian Textile (Genghis Khan and Kublai Khan Period) using XRF, AMS and electron microscopy; (2) XRF studies of pigments collected from Korean Buddhist paintings; (3) creating a database of elemental composition and spectral reflectance of more than 1000 Japanese pigments which have been used for traditional Japanese paintings; and (4) visible light-near infrared spectroscopy and multispectral imaging of degraded malachite and azurite. The XRF measurements of the Japanese and Korean pigments could be used to complement the results of pigment identification by analytical imaging through spectral reflectance reconstruction. On the other hand, analysis of the Mongolian textiles revealed that they were produced between 12th and 13th century. Elemental analysis of the samples showed that they contained traces of gold, copper, iron and titanium. Based on the age and trace elements in the samples, it was concluded that the textiles were produced during the height of power of the Mongol empire, which makes them a valuable cultural heritage. Finally, the analysis of the degraded and discolored malachite and azurite demonstrates how multispectral analytical imaging could be used to complement the results of high energy-based techniques.

Analytical techniques for wine analysis: An African perspective; a review

International Nuclear Information System (INIS)

Villiers, André de; Alberts, Phillipus; Tredoux, Andreas G.J.; Nieuwoudt, Hélène H.

2012-01-01

Highlights: ► Analytical techniques developed for grape and wine analysis in Africa are reviewed. ► The utility of infrared spectroscopic methods is demonstrated. ► An overview of separation of wine constituents by GC, HPLC, CE is presented. ► Novel LC and GC sample preparation methods for LC and GC are presented. ► Emerging methods for grape and wine analysis in Africa are discussed. - Abstract: Analytical chemistry is playing an ever-increasingly important role in the global wine industry. Chemical analysis of wine is essential in ensuring product safety and conformity to regulatory laws governing the international market, as well as understanding the fundamental aspects of grape and wine production to improve manufacturing processes. Within this field, advanced instrumental analysis methods have been exploited more extensively in recent years. Important advances in instrumental analytical techniques have also found application in the wine industry. This review aims to highlight the most important developments in the field of instrumental wine and grape analysis in the African context. The focus of this overview is specifically on the application of advanced instrumental techniques, including spectroscopic and chromatographic methods. Recent developments in wine and grape analysis and their application in the African context are highlighted, and future trends are discussed in terms of their potential contribution to the industry.

Analytical techniques for wine analysis: An African perspective; a review

Energy Technology Data Exchange (ETDEWEB)

Villiers, Andre de, E-mail: ajdevill@sun.ac.za [Department of Chemistry and Polymer Science, Stellenbosch University, Private Bag X1, Matieland 7602, Stellenbosch (South Africa); Alberts, Phillipus [Department of Chemistry and Polymer Science, Stellenbosch University, Private Bag X1, Matieland 7602, Stellenbosch (South Africa); Tredoux, Andreas G.J.; Nieuwoudt, Helene H. [Institute for Wine Biotechnology, Department of Viticulture and Oenology, Stellenbosch University, Private Bag X1, Matieland 7602, Stellenbosch (South Africa)

2012-06-12

Highlights: Black-Right-Pointing-Pointer Analytical techniques developed for grape and wine analysis in Africa are reviewed. Black-Right-Pointing-Pointer The utility of infrared spectroscopic methods is demonstrated. Black-Right-Pointing-Pointer An overview of separation of wine constituents by GC, HPLC, CE is presented. Black-Right-Pointing-Pointer Novel LC and GC sample preparation methods for LC and GC are presented. Black-Right-Pointing-Pointer Emerging methods for grape and wine analysis in Africa are discussed. - Abstract: Analytical chemistry is playing an ever-increasingly important role in the global wine industry. Chemical analysis of wine is essential in ensuring product safety and conformity to regulatory laws governing the international market, as well as understanding the fundamental aspects of grape and wine production to improve manufacturing processes. Within this field, advanced instrumental analysis methods have been exploited more extensively in recent years. Important advances in instrumental analytical techniques have also found application in the wine industry. This review aims to highlight the most important developments in the field of instrumental wine and grape analysis in the African context. The focus of this overview is specifically on the application of advanced instrumental techniques, including spectroscopic and chromatographic methods. Recent developments in wine and grape analysis and their application in the African context are highlighted, and future trends are discussed in terms of their potential contribution to the industry.

A Simplified Analytical Technique for High Frequency Characterization of Resonant Tunneling Diode

Directory of Open Access Journals (Sweden)

DESSOUKI, A. A. S.

2014-11-01

Full Text Available his paper proposes a simplified analytical technique for high frequency characterization of the resonant tunneling diode (RTD. An equivalent circuit of the RTD that consists of a parallel combination of conductance, G (V, f, and capacitance, C (V, f is formulated. The proposed approach uses the measured DC current versus voltage characteristic of the RTD to extract the equivalent circuit elements parameters in the entire bias range. Using the proposed analytical technique, the frequency response - including the high frequency range - of many characteristic aspects of the RTD is investigated. Also, the maximum oscillation frequency of the RTD is calculated. The results obtained have been compared with those concluded and reported in the literature. The reported results in literature were obtained through simulation of the RTD at high frequency using either a computationally complicated quantum simulator or through difficult RF measurements. A similar pattern of results and highly concordant conclusion are obtained. The proposed analytical technique is simple, correct, and appropriate to investigate the behavior of the RTD at high frequency. In addition, the proposed technique can be easily incorporated into SPICE program to simulate circuits containing RTD.

QGQS Granule in SHR Serum Metabonomics Study Based on Tools of UPLC-Q-TOF and Renin-Angiotensin-Aldosterone System Form Protein Profilin-1

Directory of Open Access Journals (Sweden)

Ke Li

2017-01-01

Full Text Available QGQS granule is effective for the therapeutic of hypertension in clinic. The aim of this research is to observe the antihypertension effect of QGQS granule on SHR and explain the mechanism of its lowering blood pressure. 30 SHR were selected as model group, captopril group, and QGQS group, 10 WKYr were used as control group, and RBP were measured on tail artery consciously. And all the serum sample analysis was carried out on UPLC-TOF-MS system to determine endogenous metabolites and to find the metabonomics pathways. Meanwhile, ELISA kits for the determination pharmacological indexes of PRA, AngI, AngII, and ALD were used for pathway confirmatory; WB for determination of profilin-1 protein expression was conducted for Ang II pathway analysis as well. It is demonstrated that QGQS granule has an excellent therapeutic effect on antihypertension, which exerts effect mainly on metabonomics pathway by regulating glycerophospholipid, sphingolipid, and arachidonic acid metabolism, and it could inhibit the overexpression of the profilin-1 protein. We can come to a conclusion that RAAS should be responsible mainly for the metabonomics pathway of QGQS granule on antihypertension, and it plays a very important role in protein of profilin-1 inhibition.

Instrumental analytical techniques in geochemistry: Requirements and applications

International Nuclear Information System (INIS)

Willis, J.P.

1986-01-01

Geochemists must analyse an extremely wide range of terrestrial and planetary materials. The instrumental techniques necessary to cope with this difficult task are considered. The most important analytical techniques in use by the geochemist today are AAS, ICP-OES, INAA, MSID and XRFS, and the electron microscope for in situ mineral analysis. Some applications of these techniques to solving major problems in geochemistry are discussed. The importance of certified reference materials and of high quality geochemical data are emphasized. It is concluded that the general quality of trace element data has improved over the past 25 years, as a direct result of the application of modern instrumental techniques. Surprisingly, the quality of data reported for certain major elements has deteriorated over that time, when compared with data obtainable by classical chemical methods. Predictions are made concerning the instrumentation needs of the next generation of geochemists. (orig.) [de

Improvement of Analytical Technique for Determination of Gold in ...

African Journals Online (AJOL)

This article elucidates the improvement of analytical technique for determination of gold in geological matrix. Samples suspected to have gold in them were subjected to neutron flux from the Nigeria Research Reactor (NRR-1), a Miniature Neutron Source Reactor (MNSR). Two geological samples – one sample was ...

In-depth characterization of prebiotic galactooligosaccharides by a combination of analytical techniques

NARCIS (Netherlands)

Coulier, L.; Timmermans, J.; Richard, B.; Dool, R. van den; Haaksman, I.; Klarenbeek, B.; Slaghek, T.; Dongen, W. van

2009-01-01

A commercial prebiotic galacto-oligosaccharide mixture (Vivinal GOS) was extensively characterized using a combination of analytical techniques. The different techniques were integrated to give complementary information on specific characteristics of the oligosaccharide mixture, ranging from global

Plasma metabonomics study of the patients with acute anterior uveitis based on ultra-performance liquid chromatography-mass spectrometry.

Science.gov (United States)

Guo, Junguo; Yan, Tingqin; Bi, Hongsheng; Xie, Xiaofeng; Wang, Xingrong; Guo, Dadong; Jiang, Haiqiang

2014-06-01

The identification of the biomarkers of patients with acute anterior uveitis (AAU) may allow for a less invasive and more accurate diagnosis, as well as serving as a predictor in AAU progression and treatment response. The aim of this study was to identify the potential biomarkers and the metabolic pathways from plasma in patients with AAU. Both plasma metabolic biomarkers and metabolic pathways in the AAU patients versus healthy volunteers were investigated using ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) and a metabonomics approach. The principal component analysis (PCA) was used to separate AAU patients from healthy volunteers as well as to identify the different biomarkers between the two groups. Metabolic compounds were matched to the KEGG, METLIN, and HMDB databases, and metabolic pathways associated with AAU were identified. The PCA for UPLC-MS data shows that the metabolites in AAU patients were significantly different from those of healthy volunteers. Of the 4,396 total features detected by UPLC-MS, 102 features were significantly different between AAU patients and healthy volunteers according to the variable importance plot (VIP) values (greater than two) of partial least squares discriminate analysis (PLS-DA). Thirty-three metabolic compounds were identified and were considered as potential biomarkers. Meanwhile, ten metabolic pathways were found that were related to the AAU according to the identified biomarkers. These data suggest that metabolomics study can identify potential metabolites that differ between AAU patients and healthy volunteers. Based on the PCA, PLS-DA, several potential metabolic biomarkers and pathways in AAU patients were found and identified. In addition, the UPLC-MS technique combined with metabonomics could be a suitable systematic biology tool in research in clinical problems in ophthalmology, and can provide further insight into the pathophysiology of AAU.

Development of analytical techniques in support of waste and effluent characterization

International Nuclear Information System (INIS)

Reed, W.J.

1991-01-01

The Analytical Services Group within Sellafield Technical Department has been established for >40 yr and employs >150 analysts. The group operates >400 analytical methods across a wide range of techniques and has a yearly workload of ∼250,000 determinations. The group operates under a quality system based on statistical process control that has achieved national recognition through the accreditation of its mass spectrometry and radiochemical services to the standard of national testing laboratories. The group offers services ranging from the characterization of highly active wastes to trace elemental and radiochemical measurements in environmental, biological, and effluent streams. The group has vast experience in the management of analytical services to tight time scales and has pioneered developments not only in analytical instrumentation, but also in the adaptation of equipment to radioactive environments and the design of dedicated analytical facilities

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

Science.gov (United States)

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.

Spectral interference of zirconium on 24 analyte elements using CCD based ICP-AES technique

International Nuclear Information System (INIS)

Adya, V.C.; Sengupta, Arijit; Godbole, S.V.

2014-01-01

In the present studies, the spectral interference of zirconium on different analytical lines of 24 critical analytes using CCD based ICP-AES technique is described. Suitable analytical lines for zirconium were identified along with their detection limits. The sensitivity and the detection limits of analytical channels for different elements in presence of Zr matrix were calculated. Subsequently analytical lines with least interference from Zr and better detection limits were selected for their determinations. (author)

An Example of a Hakomi Technique Adapted for Functional Analytic Psychotherapy

Science.gov (United States)

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…

A metabonomic evaluation of the monocrotaline-induced sinusoidal obstruction syndrome (SOS) in rats

Energy Technology Data Exchange (ETDEWEB)

Conotte, R.; Colet, J.-M., E-mail: jean-marie.colet@umons.ac.be

2014-04-15

The main curative treatment of colorectal cancer remains the surgery. However, when metastases are suspected, surgery is followed by a preventive chemotherapy using oxaliplatin which, unfortunately, may cause liver sinusoidal obstruction syndrome (SOS). Such hepatic damage is barely detected during or after chemotherapy due to a lack of effective diagnostic procedures, but liver biopsy. The primary objective of the present study was to identify potential early diagnosis biomarkers of SOS using a metabonomic approach. SOS was induced in rats by monocrotaline, a prototypical toxic substance. {sup 1}H NMR spectroscopy analysis of urine samples collected from rats treated with monocrotaline showed significant metabolic changes as compared to controls. During a first phase, cellular protective mechanisms such as an increased synthesis of GSH (reduced taurine) and the recruitment of cell osmolytes in the liver (betaine) were seen. In the second phase, the disturbance of the urea cycle (increased ornithine and urea reduction) leading to the depletion of NO, the alteration in the GSH synthesis (increased creatine and GSH precursors (glutamate, dimethylglycine and sarcosine)), and the liver necrosis (decrease taurine and increase creatine) all indicate the development of SOS. - Highlights: • Urine metabonomic profiles of SOS have been identified. • Urine osmoprotectants and anti-oxidants indicated an initial liver protection. • Liver necrosis was demonstrated by increased urine levels of taurine and creatine. • NO depletion was suggested by changes in ornithine and urea.

International conference on isotopic and nuclear analytical techniques for health and environment. Unedited papers

International Nuclear Information System (INIS)

2004-01-01

The IAEA has been supporting nuclear and isotopic analytical techniques as part of its mandate to foster the peaceful uses of nuclear energy for many years. Nuclear analytical laboratories have been installed and upgraded through technical co-operation assistance in many laboratories of Member States. These techniques, including INAA, CRF, PIXE, stable isotopes and radioisotopes, α, β, γ spectrometry, Moessbauer spectrometry, etc., have been applied to a wide range of subjects with varying success. Nuclear analytical techniques, featuring some intrinsic quality control aspects, such as multi-nuclide analysis, frequently serve as 'reference methods' to crosscheck critical results. As nuclear properties of elements are targeted, matrix problems seem to be negligible. In light of its continued commitment and support, the IAEA organized the International Conference on Isotopic and Nuclear Analytical Techniques for Health and Environment. Out of 220 from 61 countries who applied for participation, 155 official participants and five observers from 47 countries were in attendance, with 67 from 32 developing countries and 21 from international organizations, including the World Health Organization. Eleven plenary sessions were held. Also conducted was a panel discussion on Human Capacity Development Needs in the Areas of Analytical Quality Control Services (AQCS), Radiochemistry and Nutrition. The scientific sessions were divided into several topics, which reflect some of the important activities of the IAEA's Department of Nuclear Sciences and Applications (NA): - Isotopic and nuclear techniques (general); - Metrology and quality assurance in nuclear measurements; - Nuclear analytical techniques for environmental monitoring; - Radioecology; - Environmental monitoring; - Radiological safety of food and water; - Methodological aspects of stable isotope techniques in health and environment; - Applications of isotopic techniques in health and environment; - New

Comparison of analytical techniques for dynamic trace metal speciation in natural freshwaters.

NARCIS (Netherlands)

Sigg, Laura; Black, Frank; Buffle, Jacques; Cao, Jun; Cleven, Rob; Davison, William; Galceran, Josep; Gunkel, Peggy; Kalis, Erwin; Kistler, David; Martin, Michel; Noël, Stéphane; Nur, Yusuf; Odzak, Niksa; Puy, Jaume; Riemsdijk, Willem van; Temminghoff, Erwin; Tercier-Waeber, Mary-Lou; Toepperwien, Stefanie; Town, Raewyn M; Unsworth, Emily R; Warnken, Kent W; Weng, Liping; Xue, Hanbin; Zhang, Hao

2006-01-01

Several techniques for speciation analysis of Cu, Zn, Cd, Pb, and Ni are used in freshwater systems and compared with respect to their performance and to the metal species detected. The analytical techniques comprise the following: (i) diffusion gradients in thin-film gels (DGT); (ii) gel integrated

Nuclear analytical techniques for on-line elemental analysis in industry

International Nuclear Information System (INIS)

1988-06-01

This report is the result of an advisory group meeting held in Espoo, Finland, 1-5 June, 1987. The purpose of the meeting was to assess the present status and development of nuclear analytical techniques used for industrial process control. The report gives an overview of the different nuclear techniques used for process control and the most important applications. A separate abstract was prepared for each of the 7 papers presented at the meeting. Refs, figs and tabs

An effective assessment of valproate sodium-induced hepatotoxicity with UPLC-MS and (1)HNMR-based metabonomics approach.

Science.gov (United States)

Huo, Taoguang; Chen, Xi; Lu, Xiumei; Qu, Lianyue; Liu, Yang; Cai, Shuang

2014-10-15

Valproate sodium is one of the most prescribed antiepileptic drugs. However, valproate sodium has various side effects, especially its toxicity on liver. Current markers for toxicity reflect mostly the late stages of tissue damage; thus, more efficient methods for toxicity evaluation are desired. To evaluate the toxicity of valproate sodium on liver, we performed both UPLC-MS and (1)HNMR-based metabonomics analysis of serum samples from 34 epileptic patients (age: 42.0±18.6, 18 male/16 female) after valproate sodium treatment. Compared to conventional markers, the serum metabolic profiles provided clear distinction of the valproate sodium induced normal liver function and abnormal liver function in epileptic patients. Through multivariate statistical analysis, we identified marker metabolites associated with the hepatotoxicity induced by valproate sodium, such as glucose, lactate, acetoacetate, VLDL/LDL, lysophosphatidylcholines, phosphatidylcholines, choline, creatine, amino acids, N-acetyl glycoprotein, pyruvate and uric acid. This metabonomics approach may provide effective way to evaluate the valproate sodium-induced toxicity in a manner that can complement current measures. This approach is expected to find broader application in other drug-induced toxicity assessment. Copyright © 2014 Elsevier B.V. All rights reserved.

NMR-based metabonomic analysis of MnO-embedded iron oxide nanoparticles as potential dual-modal contrast agents

Science.gov (United States)

Li, Jinquan; Zhou, Zijian; Feng, Jianghua; Cai, Shuhui; Gao, Jinhao; Chen, Zhong

2014-05-01

MnO-embedded iron oxide nanoparticles (MnIO-NPs) can be treated as potential dual-modal contrast agents. However, their overall bio-effects and potential toxicity remain unknown. In this study, the metabolic effects of MnIO-NPs (dosed at 1 and 5 mg Fe/kg) on Sprague-Dawley rats were investigated using metabonomic analysis, histopathological examination, and conventional biochemical analysis. The histological changes included a focal inflammation in the liver at high-dose and a slightly enlarged area of splenic white pulp after 48 h post-dose. Blood biochemical analysis showed that albumin, globulins, aspartate aminotransferase, lactate dehydrogenase, blood urea nitrogen, and glucose changed distinctly compared to the control. The metabonomic analysis of body fluids (serum and urine) and tissues (liver, kidney, and spleen) indicated that MnIO-NPs induced metabolic perturbation in rats including energy, nucleotides, amino acids and phospholipid metabolisms. Besides, the variations of supportive nutrients: valine, leucine, isoleucine, nicotinamide adenine dinucleotide (phosphate), and nicotinamide, and the conjugation substrates: glycine, taurine, glutamine, glutathione, and methyl donors (formate, sarcosine, dimethylglycine, choline, and betaine) were involved in detoxification reaction of MnIO-NPs. The obtained information would provide identifiable ground for the candidate selection and optimization.

Metabonomic Strategy to the Evaluation of Chinese Medicine Compound Danshen Dripping Pills Interfering Myocardial Ischemia in Rats

Directory of Open Access Journals (Sweden)

Xue Xin

2013-01-01

Full Text Available Coronary heart disease (CHD is one of the highest mortality diseases in the world. Traditional Chinese medicine compound Danshen dripping pills (CDDPs have currently made a great achievement in treating CHD. However, the therapeutic mechanism of CDDP is often poorly interpreted. In this study, a GC-MS-based metabonomic study was conducted to assess the holistic efficacy of CDDP for myocardial infarction in male Sprague-Dawley rats, which were divided into the control group, the sham group, the model group, the control + CDDP group, and the model + CDDP, with CDDP at a dose of 107 mg/kg·d (equal to 1.8 mL/kg·d. The metabonomic findings demonstrated great differences of metabolic pattern among sham, model, and the model + CDDP in the orthogonal partial least squares discriminant analysis (OPLS-DA models, which coordinated well with the assessment of plasma biochemistry and histopathological assay. Differentially expressed metabolites suggested that energy metabolism, glycolysis, and lipid metabolism might be disrupted by myocardial infarction. Both the potential metabolic biomarkers and the biochemical histopathological indices were regulated effectively by CDDP.

Linear circuit transfer functions an introduction to fast analytical techniques

CERN Document Server

Basso, Christophe P

2016-01-01

Linear Circuit Transfer Functions: An introduction to Fast Analytical Techniques teaches readers how to determine transfer functions of linear passive and active circuits by applying Fast Analytical Circuits Techniques. Building on their existing knowledge of classical loop/nodal analysis, the book improves and expands their skills to unveil transfer functions in a swift and efficient manner. Starting with simple examples, the author explains step-by-step how expressing circuits time constants in different configurations leads to writing transfer functions in a compact and insightful way. By learning how to organize numerators and denominators in the fastest possible way, readers will speed-up analysis and predict the frequency resp nse of simple to complex circuits. In some cases, they will be able to derive the final expression by inspection, without writing a line of algebra. Key features: * Emphasizes analysis through employing time constant-based methods discussed in other text books but not widely us...

A novel Bayesian approach to quantify clinical variables and to determine their spectroscopic counterparts in 1H NMR metabonomic data

Directory of Open Access Journals (Sweden)

Kaski Kimmo

2007-05-01

Full Text Available Abstract Background A key challenge in metabonomics is to uncover quantitative associations between multidimensional spectroscopic data and biochemical measures used for disease risk assessment and diagnostics. Here we focus on clinically relevant estimation of lipoprotein lipids by 1H NMR spectroscopy of serum. Results A Bayesian methodology, with a biochemical motivation, is presented for a real 1H NMR metabonomics data set of 75 serum samples. Lipoprotein lipid concentrations were independently obtained for these samples via ultracentrifugation and specific biochemical assays. The Bayesian models were constructed by Markov chain Monte Carlo (MCMC and they showed remarkably good quantitative performance, the predictive R-values being 0.985 for the very low density lipoprotein triglycerides (VLDL-TG, 0.787 for the intermediate, 0.943 for the low, and 0.933 for the high density lipoprotein cholesterol (IDL-C, LDL-C and HDL-C, respectively. The modelling produced a kernel-based reformulation of the data, the parameters of which coincided with the well-known biochemical characteristics of the 1H NMR spectra; particularly for VLDL-TG and HDL-C the Bayesian methodology was able to clearly identify the most characteristic resonances within the heavily overlapping information in the spectra. For IDL-C and LDL-C the resulting model kernels were more complex than those for VLDL-TG and HDL-C, probably reflecting the severe overlap of the IDL and LDL resonances in the 1H NMR spectra. Conclusion The systematic use of Bayesian MCMC analysis is computationally demanding. Nevertheless, the combination of high-quality quantification and the biochemical rationale of the resulting models is expected to be useful in the field of metabonomics.

Short-term toxicity assessments of an antibiotic metabolite in Wistar rats and its metabonomics analysis by ultra-high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry

International Nuclear Information System (INIS)

Han, Hongxing; Xiao, Hailong; Lu, Zhenmei

2016-01-01

4-Epi-oxytetracycline (4-EOTC), one of main oxytetracycline (OTC) metabolites, can be commonly detected in food and environment. The toxicity and effects of OTC on animals have been well characterized; however, its metabolites have never been studied systemically. This study aims to investigate 15-day oral dose toxicity and urine metabonomics changes of 4-EOTC after repeated administration in Wistar rats at daily doses of 0.5, 5.0 and 50.0 mg/kg bw (bodyweight). Hematology and clinical chemistry parameters, including white blood cell count, red blood cell count, total protein, globulin and albumin/globulin, were obviously altered in rats of 5.0 and 50.0 mg/kg bw. Histopathology changes of kidney and liver tissues were also observed in high-dose groups. Urinary metabolites from all groups were analyzed using ultra-high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS). Seventeen metabolites contributing to the clusters were identified as potential biomarkers from multivariate analysis, including aminoadipic acid, 6-phosphogluconate, sebacic acid, pipecolic acid, etc. The significant changes of these biomarkers demonstrated metabonomic variations in treated rats, especially lysine and purine metabolism. For the first time in this paper, we combined the results of toxicity and metabonomics induced by 4-EOTC for the serious reconsideration of the safety and potential risks of antibiotics and its degradation metabolites. - Highlights: • 4-Epioxytetracycline (4-EOTC) induced damages in liver and kidney. • Metabonomics changes especially amino acid and purine metabolism were observed. • Security of OTC metabolite 4-EOTC should be taken into serious reconsideration.

Short-term toxicity assessments of an antibiotic metabolite in Wistar rats and its metabonomics analysis by ultra-high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Han, Hongxing [College of Life Sciences, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058 (China); Xiao, Hailong [Hangzhou Institute for Food and Drug Control, Hangzhou 310004 (China); Lu, Zhenmei, E-mail: lzhenmei@zju.edu.cn [College of Life Sciences, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058 (China)

2016-02-15

4-Epi-oxytetracycline (4-EOTC), one of main oxytetracycline (OTC) metabolites, can be commonly detected in food and environment. The toxicity and effects of OTC on animals have been well characterized; however, its metabolites have never been studied systemically. This study aims to investigate 15-day oral dose toxicity and urine metabonomics changes of 4-EOTC after repeated administration in Wistar rats at daily doses of 0.5, 5.0 and 50.0 mg/kg bw (bodyweight). Hematology and clinical chemistry parameters, including white blood cell count, red blood cell count, total protein, globulin and albumin/globulin, were obviously altered in rats of 5.0 and 50.0 mg/kg bw. Histopathology changes of kidney and liver tissues were also observed in high-dose groups. Urinary metabolites from all groups were analyzed using ultra-high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS). Seventeen metabolites contributing to the clusters were identified as potential biomarkers from multivariate analysis, including aminoadipic acid, 6-phosphogluconate, sebacic acid, pipecolic acid, etc. The significant changes of these biomarkers demonstrated metabonomic variations in treated rats, especially lysine and purine metabolism. For the first time in this paper, we combined the results of toxicity and metabonomics induced by 4-EOTC for the serious reconsideration of the safety and potential risks of antibiotics and its degradation metabolites. - Highlights: • 4-Epioxytetracycline (4-EOTC) induced damages in liver and kidney. • Metabonomics changes especially amino acid and purine metabolism were observed. • Security of OTC metabolite 4-EOTC should be taken into serious reconsideration.

Evaluation of analytical techniques to determine matals in Sodium

International Nuclear Information System (INIS)

Biancifiori, M.A.; Zappa, G.; Amico, A.

1985-01-01

The influence of some instrumental parameters on the analysis of CA, Co, Cr, Cu, Fe, K, Mg, Mn, and Ni in Sodium solutions, by means of Flame Atomic Absorption Spectroscopy (FAAS), is evaluated. The best operating parameters are established and the possibility of application of this analytical technique to the detection of the metallic impurities in Sodium is evaluated, considering the concentration values of nuclear interest

Nuclear analytical techniques in Cuban Sugar Industry

International Nuclear Information System (INIS)

Diaz Riso, O.; Griffith Martinez, J.

1996-01-01

This paper is a review concerning the applications of Nuclear Analytical Techniques in the Cuban sugar industry. The most complete elemental composition of final molasses (34 elements ) and natural zeolites (38) this last one employed as an auxiliary agent in sugar technological processes has been performed by means of Instrumental Neutron Activation Analysis (INAA) and X-Ray Fluorescence Analysis (XRFA). The trace elements sugar cane soil plant relationship and elemental composition of different types of Cuban sugar (rawr, blanco directo and refine) were also studied. As a result, valuable information referred to the possibilities of using these products in animal and human foodstuff so as in other applications are given

Identification of sex-specific urinary biomarkers for major depressive disorder by combined application of NMR- and GC-MS-based metabonomics.

Science.gov (United States)

Zheng, P; Chen, J-J; Zhou, C-J; Zeng, L; Li, K-W; Sun, L; Liu, M-L; Zhu, D; Liang, Z-H; Xie, P

2016-11-15

Women are more vulnerable to major depressive disorder (MDD) than men. However, molecular biomarkers of sex differences are limited. Here we combined gas chromatography-mass spectrometry (GC-MS)- and nuclear magnetic resonance (NMR)-based metabonomics to investigate sex differences of urinary metabolite markers in MDD, and further explore their potential of diagnosing MDD. Consequently, the metabolite signatures of women and men MDD subjects were significantly different from of that in their respective healthy controls (HCs). Twenty seven women and 36 men related differentially expressed metabolites were identified in MDD. Fourteen metabolites were changed in both women and men MDD subjects. Significantly, the women-specific (m-Hydroxyphenylacetate, malonate, glycolate, hypoxanthine, isobutyrate and azelaic acid) and men-specific (tyrosine, N-acetyl-d-glucosamine, N-methylnicotinamide, indoxyl sulfate, citrate and succinate) marker panels were further identified, which could differentiate men and women MDD patients from their respective HCs with higher accuracy than previously reported sex-nonspecific marker panels. Our findings demonstrate that men and women MDD patients have distinct metabonomic signatures and sex-specific biomarkers have promising values in diagnosing MDD.

Nuclear analytical techniques and their application to environmental samples

International Nuclear Information System (INIS)

Lieser, K.H.

1986-01-01

A survey is given on nuclear analytical techniques and their application to environmental samples. Measurement of the inherent radioactivity of elements or radionuclides allows determination of natural radioelements (e.g. Ra), man-made radioelements (e.g. Pu) and radionuclides in the environment. Activation analysis, in particular instrumental neutron activation analysis, is a very reliable and sensitive method for determination of a great number of trace elements in environmental samples, because the most abundant main constituents are not activated. Tracer techniques are very useful for studies of the behaviour and of chemical reactions of trace elements and compounds in the environment. Radioactive sources are mainly applied for excitation of characteristic X-rays (X-ray fluorescence analysis). (author)

A Novel Analytic Technique for the Service Station Reliability in a Discrete-Time Repairable Queue

Directory of Open Access Journals (Sweden)

Renbin Liu

2013-01-01

Full Text Available This paper presents a decomposition technique for the service station reliability in a discrete-time repairable GeomX/G/1 queueing system, in which the server takes exhaustive service and multiple adaptive delayed vacation discipline. Using such a novel analytic technique, some important reliability indices and reliability relation equations of the service station are derived. Furthermore, the structures of the service station indices are also found. Finally, special cases and numerical examples validate the derived results and show that our analytic technique is applicable to reliability analysis of some complex discrete-time repairable bulk arrival queueing systems.

Technical meeting on commercial applications of nuclear analytical techniques. Meeting report

International Nuclear Information System (INIS)

2004-01-01

This report summarizes the findings of the Technical Meeting on the Commercial Applications of Nuclear Analytical Techniques held in Vienna on 23-26 November 2004, where an assessment was initiated of the world capacity and market potentials for neutron activation analysis and nuclear spectroscopy, including an estimation of economic revenues. Industry and governmental agencies were identified as stakeholders for these laboratories. Examples are given of potential benefits of these techniques to the stakeholders. The potentials for commercial applications of neutron activation analysis and nuclear spectroscopy (measurement of alpha, beta and gamma ray emitting radionuclides) are addressed. First estimates are given of the worldwide capacity of these laboratories, suggestions and examples are given for potential markets and the typical organizational and technical constraints are discussed. Two case studies of commercial neutron activation analysis laboratories at a small and a medium-size reactor are given in the 'individual contributions' section of this document. An assessment of other nuclear analytical techniques such as X ray Fluorescence Spectrometry, Particle Induced X ray Emission Spectrometry or Ion Beam Analysis Spectrometry has been completed after a comprehensive collection of background information

Technical meeting on commercial applications of nuclear analytical techniques. Meeting report

Energy Technology Data Exchange (ETDEWEB)

NONE

2004-07-01

This report summarizes the findings of the Technical Meeting on the Commercial Applications of Nuclear Analytical Techniques held in Vienna on 23-26 November 2004, where an assessment was initiated of the world capacity and market potentials for neutron activation analysis and nuclear spectroscopy, including an estimation of economic revenues. Industry and governmental agencies were identified as stakeholders for these laboratories. Examples are given of potential benefits of these techniques to the stakeholders. The potentials for commercial applications of neutron activation analysis and nuclear spectroscopy (measurement of alpha, beta and gamma ray emitting radionuclides) are addressed. First estimates are given of the worldwide capacity of these laboratories, suggestions and examples are given for potential markets and the typical organizational and technical constraints are discussed. Two case studies of commercial neutron activation analysis laboratories at a small and a medium-size reactor are given in the 'individual contributions' section of this document. An assessment of other nuclear analytical techniques such as X ray Fluorescence Spectrometry, Particle Induced X ray Emission Spectrometry or Ion Beam Analysis Spectrometry has been completed after a comprehensive collection of background information.

Toward greener analytical techniques for the absolute quantification of peptides in pharmaceutical and biological samples.

Science.gov (United States)

Van Eeckhaut, Ann; Mangelings, Debby

2015-09-10

Peptide-based biopharmaceuticals represent one of the fastest growing classes of new drug molecules. New reaction types included in the synthesis strategies to reduce the rapid metabolism of peptides, along with the availability of new formulation and delivery technologies, resulted in an increased marketing of peptide drug products. In this regard, the development of analytical methods for quantification of peptides in pharmaceutical and biological samples is of utmost importance. From the sample preparation step to their analysis by means of chromatographic or electrophoretic methods, many difficulties should be tackled to analyze them. Recent developments in analytical techniques emphasize more and more on the use of green analytical techniques. This review will discuss the progresses in and challenges observed during green analytical method development for the quantification of peptides in pharmaceutical and biological samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Studies of single-walled carbon nanotubes-induced hepatotoxicity by NMR-based metabonomics of rat blood plasma and liver extracts

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Lin, Bencheng; Zhang, Huashan; Lin, Zhiqing; Fang, Yanjun; Tian, Lei; Yang, Honglian; Yan, Jun; Liu, Huanliang; Zhang, Wei; Xi, Zhuge

2013-05-01

The toxicological effects of single-walled carbon nanotubes (SWCNTs) were investigated after intratracheal instillation in male Wistar rats over a 15-day period using metabonomic analysis of 1H (nuclear magnetic resonance) NMR spectra of blood plasma and liver tissue extracts. Concurrent liver histopathology examinations and plasma clinical chemistry analyses were also performed. Significant changes were observed in clinical chemistry features, including alkaline phosphatase, total protein, and total cholesterol, and in liver pathology, suggesting that SWCNTs clearly have hepatotoxicity in the rat. 1H NMR spectra and pattern recognition analyses from nanomaterial-treated rats showed remarkable differences in the excretion of lactate, trimethylamine oxide, bilineurin, phosphocholine, amylaceum, and glycogen. Indications of amino acid metabolism impairment were supported by increased lactate concentrations and decreased alanine concentrations in plasma. The rise in plasma and liver tissue extract concentrations of choline and phosphocholine, together with decreased lipids and lipoproteins, after SWCNTs treatment indicated a disruption of membrane fluidity caused by lipid peroxidation. Energy, amino acid, and fat metabolism appeared to be affected by SWCNTs exposure. Clinical chemistry and metabonomic approaches clearly indicated liver injury, which might have been associated with an indirect mechanism involving nanomaterial-induced oxidative stress.

Application of ultraperformance liquid chromatography/mass spectrometry-based metabonomic techniques to analyze the joint toxic action of long-term low-level exposure to a mixture of organophosphate pesticides on rat urine profile.

Science.gov (United States)

Du, Longfei; Wang, Hong; Xu, Wei; Zeng, Yan; Hou, Yurong; Zhang, Yuqiu; Zhao, Xiujuan; Sun, Changhao

2013-07-01

In previously published articles, we evaluated the toxicity of four organophosphate (OP) pesticides (dichlorvos, dimethoate, acephate, and phorate) to rats using metabonomic technology at their corresponding no observed adverse effect level (NOAEL). Results show that a single pesticide elicits no toxic response. This study aimed to determine whether chronic exposure to a mixture of the above four pesticides (at their corresponding NOAEL) can lead to joint toxic action in rats using the same technology. Pesticides were administered daily to rats through drinking water for 24 weeks. The above mixture of the four pesticides showed joint toxic action at the NOAEL of each pesticide. The metabonomic profiles of rats urine were analyzed by ultraperformance liquid chromatography/mass spectrometry. The 16 metabolites statistically significantly changed in all treated groups compared with the control group. Dimethylphosphate and dimethyldithiophosphate exclusively detected in all treated groups can be used as early, sensitive biomarkers for exposure to a mixture of the OP pesticides. Moreover, exposure to the OP pesticides resulted in increased 7-methylguanine, ribothymidine, cholic acid, 4-pyridoxic acid, kynurenine, and indoxyl sulfate levels, as well as decreased hippuric acid, creatinine, uric acid, gentisic acid, C18-dihydrosphingosine, phytosphingosine, suberic acid, and citric acid. The results indicated that a mixture of OP pesticides induced DNA damage and oxidative stress, disturbed the metabolism of lipids, and interfered with the tricarboxylic acid cycle. Ensuring food safety requires not only the toxicology test data of each pesticide for the calculation of the acceptable daily intake but also the joint toxic action.

UHPLC-LTQ-Orbitrap MS combined with spike-in method for plasma metabonomics analysis of acute myocardial ischemia rats and pretreatment effect of Danqi Tongmai tablet.

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Yan, Bingpeng; Deng, Yanping; Hou, Jinjun; Bi, Qirui; Yang, Min; Jiang, Baohong; Liu, Xuan; Wu, Wanying; Guo, Dean

2015-02-01

Undoubtedly, metabonomics can reveal the comprehensive efficacies of traditional Chinese medicine (TCM) formulae and its complex mechanism at the molecular biological level. In this study, an attempt was made to address the pretreatment effect of a TCM formula. In this case, as a critical point, we should first know how to really reflect the various endogenous metabolites in a disease status before a TCM formula is employed in a therapeutic procedure. Here, we explored an approach that combined high resolution LTQ-Orbitrap mass spectrometry with a spike-in method to characterize endogenous metabolites in acute myocardial ischemia (AMI) rats. As a result, 19 potential biomarkers in rat plasma were identified and 10 related disturbed pathways were perturbed in the early stages of AMI development. Subsequently, the metabonomics method was applied to investigate the pretreatment effect of the TCM formula named the Danqi Tongmai tablet (DQTM). The results revealed that the DQTM pretreatment could reduce the AMI injury and partially regulate the perturbed TCA cycle and amino and nucleotide metabolism, which were presumable related to energy metabolism and myocardial cells apoptosis/necrosis. In conclusion, UHPLC-LTQ-Orbitrap MS combined with a spike-in method were successfully applied to the metabonomics analysis of DQTM, which demonstrated that not only a comprehensive metabolic profile in the early stages of AMI development was achieved, but also that the underlying holistic efficacies were assessed and it was helpful to understand the possible mechanism of pretreatment with DQTM.

Optimization of analytical techniques to characterize antibiotics in aquatic systems

International Nuclear Information System (INIS)

Al Mokh, S.

2013-01-01

Antibiotics are considered as pollutants when they are present in aquatic ecosystems, ultimate receptacles of anthropogenic substances. These compounds are studied as their persistence in the environment or their effects on natural organisms. Numerous efforts have been made worldwide to assess the environmental quality of different water resources for the survival of aquatic species, but also for human consumption and health risk related. Towards goal, the optimization of analytical techniques for these compounds in aquatic systems remains a necessity. Our objective is to develop extraction and detection methods for 12 molecules of aminoglycosides and colistin in sewage treatment plants and hospitals waters. The lack of analytical methods for analysis of these compounds and the deficiency of studies for their detection in water is the reason for their study. Solid Phase Extraction (SPE) in classic mode (offline) or online followed by Liquid Chromatography analysis coupled with Mass Spectrometry (LC/MS/MS) is the most method commonly used for this type of analysis. The parameters are optimized and validated to ensure the best conditions for the environmental analysis. This technique was applied to real samples of wastewater treatment plants in Bordeaux and Lebanon. (author)

Nuclear analytical techniques in Cuban sugar industry

International Nuclear Information System (INIS)

Diaz R, O.; Griffith M, J.

1997-01-01

This paper is a review concerning the application of Nuclear Analytical Techniques in the Cuban sugar industry. The most complete elemental composition of final molasses (34 elements) and natural zeolites (38) this last one employed as an auxiliary agent in sugar technological processe4s has been performed by means of instrumental Neutron Activation Analysis (INAA) and X-Ray Fluorescence Analysis (XRFA). The trace elemental sugar cane soill-plant relationship and elemental composition of different types of Cuban sugar (raw, blanco-directo and refine) were also studied. As a result, valuable information referred to the possibilities of using these products in animal and human foodstuff so as in the other applications are given. (author). 34 refs., 6 figs., 1 tab

Metabonomics reveals drastic changes in anti-inflammatory/pro-resolving polyunsaturated fatty acids-derived lipid mediators in leprosy disease.

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Julio J Amaral

Full Text Available Despite considerable efforts over the last decades, our understanding of leprosy pathogenesis remains limited. The complex interplay between pathogens and hosts has profound effects on host metabolism. To explore the metabolic perturbations associated with leprosy, we analyzed the serum metabolome of leprosy patients. Samples collected from lepromatous and tuberculoid patients before and immediately after the conclusion of multidrug therapy (MDT were subjected to high-throughput metabolic profiling. Our results show marked metabolic alterations during leprosy that subside at the conclusion of MDT. Pathways showing the highest modulation were related to polyunsaturated fatty acid (PUFA metabolism, with emphasis on anti-inflammatory, pro-resolving omega-3 fatty acids. These results were confirmed by eicosanoid measurements through enzyme-linked immunoassays. Corroborating the repertoire of metabolites altered in sera, metabonomic analysis of skin specimens revealed alterations in the levels of lipids derived from lipase activity, including PUFAs, suggesting a high lipid turnover in highly-infected lesions. Our data suggest that omega-6 and omega-3, PUFA-derived, pro-resolving lipid mediators contribute to reduced tissue damage irrespectively of pathogen burden during leprosy disease. Our results demonstrate the utility of a comprehensive metabonomic approach for identifying potential contributors to disease pathology that may facilitate the development of more targeted treatments for leprosy and other inflammatory diseases.

Applied research on air pollution using nuclear-related analytical techniques

International Nuclear Information System (INIS)

1994-01-01

A co-ordinated research programme (CRP) on applied research on air pollution using nuclear-related techniques is a global CRP which will run from 1992-1996, and will build upon the experience gained by the Agency from the laboratory support that it has been providing for several years to BAPMoN - the Background Air Pollution Monitoring Network programme organized under the auspices of the World Meterological Organization. The purpose of this CRP is to promote the use of nuclear analytical techniques in air pollution studies, e.g. NAA, XFR, and PIXE for the analysis of toxic and other trace elements in suspended particulate matter (including air filter samples), rainwater and fog-water samples, and in biological indicators of air pollution (e.g. lichens and mosses). The main purposes of the core programme are i) to support the use of nuclear and nuclear-related analytical techniques for practically-oriented research and monitoring studies on air pollution ii) to identify major sources of air pollution affecting each of the participating countries with particular reference to toxic heavy metals, and iii) to obtain comparative data on pollution levels in areas of high pollution (e.g. a city centre or a populated area downwind of a large pollution source) and low pollution (e.g. rural areas). This document reports the discussions held during the first Research Co-ordination Meeting (RCM) for the CRP which took place at the IAEA Headquarters in Vienna. Refs, figs and tabs

A HILIC-UHPLC-MS/MS untargeted urinary metabonomics combined with quantitative analysis of five polar biomarkers on osteoporosis rats after oral administration of Gushudan.

Science.gov (United States)

Wu, Xiao; Huang, Yue; Sun, Jinghan; Wen, Yongqing; Qin, Feng; Zhao, Longshan; Xiong, Zhili

2018-01-01

A HILIC-UHPLC-MS/MS untargeted urinary metabonomic method combined with quantitative analysis of five potential polar biomarkers in rat urine was developed and validated, to further understand the anti-osteoporosis effect of Gushudan(GSD) and its mechanism on prednisolone-induced osteoporosis(OP) rats in this study. The metabolites were separated and identified on Waters BEH HILIC (2.1mm×100mm, 1.7μm) column using the Waters ACQUITY™ ultra performance liquid chromatography system (Waters Corporation, Milford, USA) coupled with a Micromass Quattro Micro™ API mass spectrometer (Waters Corp, Milford, MA, USA). Principal component analysis (PCA) was used to identify potential biomarkers. Primary potential polar biomarkers including creatinine, taurine, betaine, hypoxanthine and cytosine, which were related to energy metabolism, lipid metabolism and amino acid metabolism, were found in the untargeted metabonomic research. Moreover, these targeted biomarkers were further separated and quantified in multiple-reaction monitoring (MRM) with positive ionization mode, using tinidazole as internal standard (I.S.). Good linearities (r>0.99) were obtained for all the analytes with the low limit of quantification from 1.00 to 12.8μg/mL. The relative standard deviation (RSD) of the intra-day and inter-day precisions were within 15.0% and the accuracy ranged from -14.3% to 13.5%. The recovery was more than 85.0%. And the validated method was successfully applied to investigate the urine samples of the control group, prednisolone-induced osteoporosis model group and Gushudan-treatment group in rats. Compared to the control group, the level of creatinine, taurine, betaine, hypoxanthine and cytosine in the model group revealed a significant decrease trend (p<0.05), while the Gushudan-treatment group showed no statistically differences by an independent sample t-test. This paper provided a better understanding of the therapeutic effect and mechanism of GSD on prednisolone

Discriminating poststroke depression from stroke by nuclear magnetic resonance spectroscopy-based metabonomic analysis

Directory of Open Access Journals (Sweden)

Xiao J

2016-08-01

Full Text Available Jianqi Xiao,1,* Jie Zhang,2,* Dan Sun,3,* Lin Wang,4,* Lijun Yu,5 Hongjing Wu,5 Dan Wang,5 Xuerong Qiu5 1Department of Neurosurgery, The First Hospital of Qiqihar City, Qiqihar, 2Department of Internal Medicine, Central Hospital of Jiamusi City, Jiamusi, 3Department of Geriatrics, General Hospital of Daqing Oil Field, Daqing, 4Department of Nursing, 5Department of Neurology, The First Hospital of Qiqihar City, Qiqihar, Heilongjiang, People’s Republic of China *These authors contributed equally to this work Abstract: Poststroke depression (PSD, the most common psychiatric disease that stroke survivors face, is estimated to affect ~30% of poststroke patients. However, there are still no objective methods to diagnose PSD. In this study, to explore the differential metabolites in the urine of PSD subjects and to identify a potential biomarker panel for PSD diagnosis, the nuclear magnetic resonance-based metabonomic method was applied. Ten differential metabolites responsible for discriminating PSD subjects from healthy control (HC and stroke subjects were found, and five of these metabolites were identified as potential biomarkers (lactate, α-hydroxybutyrate, phenylalanine, formate, and arabinitol. The panel consisting of these five metabolites provided excellent performance in discriminating PSD subjects from HC and stroke subjects, achieving an area under the receiver operating characteristic curve of 0.946 in the training set (43 HC, 45 stroke, and 62 PSD subjects. Moreover, this panel could classify the blinded samples from the test set (31 HC, 33 stroke, and 32 PSD subjects with an area under the curve of 0.946. These results laid a foundation for the future development of urine-based objective methods for PSD diagnosis and investigation of PSD pathogenesis. Keywords: poststroke depression, PSD, stroke, nuclear magnetic resonance, NMR, metabonomic

Creatine-induced activation of antioxidative defence in myotube cultures revealed by explorative NMR-based metabonomics and proteomics

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Nielsen Niels

2010-02-01

Full Text Available Abstract Background Creatine is a key intermediate in energy metabolism and supplementation of creatine has been used for increasing muscle mass, strength and endurance. Creatine supplementation has also been reported to trigger the skeletal muscle expression of insulin like growth factor I, to increase the fat-free mass and improve cognition in elderly, and more explorative approaches like transcriptomics has revealed additional information. The aim of the present study was to reveal additional insight into the biochemical effects of creatine supplementation at the protein and metabolite level by integrating the explorative techniques, proteomics and NMR metabonomics, in a systems biology approach. Methods Differentiated mouse myotube cultures (C2C12 were exposed to 5 mM creatine monohydrate (CMH for 24 hours. For proteomics studies, lysed myotubes were analyzed in single 2-DGE gels where the first dimension of protein separation was pI 5-8 and second dimension was a 12.5% Criterion gel. Differentially expressed protein spots of significance were excised from the gel, desalted and identified by peptide mass fingerprinting using MALDI-TOF MS. For NMR metabonomic studies, chloroform/methanol extractions of the myotubes were subjected to one-dimensional 1H NMR spectroscopy and the intracellular oxidative status of myotubes was assessed by intracellular DCFH2 oxidation after 24 h pre-incubation with CMH. Results The identified differentially expressed proteins included vimentin, malate dehydrogenase, peroxiredoxin, thioredoxin dependent peroxide reductase, and 75 kDa and 78 kDa glucose regulated protein precursors. After CMH exposure, up-regulated proteomic spots correlated positively with the NMR signals from creatine, while down-regulated proteomic spots were negatively correlated with these NMR signals. The identified differentially regulated proteins were related to energy metabolism, glucose regulated stress, cellular structure and the

A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments.

Science.gov (United States)

Dona, Anthony C; Kyriakides, Michael; Scott, Flora; Shephard, Elizabeth A; Varshavi, Dorsa; Veselkov, Kirill; Everett, Jeremy R

2016-01-01

Metabonomics/metabolomics is an important science for the understanding of biological systems and the prediction of their behaviour, through the profiling of metabolites. Two technologies are routinely used in order to analyse metabolite profiles in biological fluids: nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), the latter typically with hyphenation to a chromatography system such as liquid chromatography (LC), in a configuration known as LC-MS. With both NMR and MS-based detection technologies, the identification of the metabolites in the biological sample remains a significant obstacle and bottleneck. This article provides guidance on methods for metabolite identification in biological fluids using NMR spectroscopy, and is illustrated with examples from recent studies on mice.

A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments

Directory of Open Access Journals (Sweden)

Anthony C. Dona

2016-01-01

Full Text Available Metabonomics/metabolomics is an important science for the understanding of biological systems and the prediction of their behaviour, through the profiling of metabolites. Two technologies are routinely used in order to analyse metabolite profiles in biological fluids: nuclear magnetic resonance (NMR spectroscopy and mass spectrometry (MS, the latter typically with hyphenation to a chromatography system such as liquid chromatography (LC, in a configuration known as LC–MS. With both NMR and MS-based detection technologies, the identification of the metabolites in the biological sample remains a significant obstacle and bottleneck. This article provides guidance on methods for metabolite identification in biological fluids using NMR spectroscopy, and is illustrated with examples from recent studies on mice.

Metabonomics evaluation of urine from rats administered with phorate under long-term and low-level exposure by ultra-performance liquid chromatography-mass spectrometry.

Science.gov (United States)

Sun, Xiaowei; Xu, Wei; Zeng, Yan; Hou, Yurong; Guo, Lin; Zhao, Xiujuan; Sun, Changhao

2014-02-01

The purpose of this study was to investigate the toxic effect of long-term and low-level exposure to phorate using a metabonomics approach based on ultra-performance liquid chromatography-mass spectrometry (UPLC-MS). Male Wistar rats were given phorate daily in drinking water at low doses of 0.05, 0.15 or 0.45 mg kg⁻¹ body weight (BW) for 24 weeks consecutively. Rats in the control group were given an equivalent volume of drinking water. Compared with the control group, serum aspartate aminotransferase (AST), alanine aminotransferase (ALT), total bilirubin (TBIL), urea nitrogen (BUN) and creatinine (CR) were increased in the middle- and high-dose groups whereas albumin (ALB) and cholinesterase (CHE) were decreased. Urine metabonomics profiles were analyzed by UPLC-MS. Compared with the control group, 12 metabolites were significantly changed in phorate-treated groups. In the negative mode, metabolite intensities of uric acid, suberic acid and citric acid were significantly decreased in the middle- and high-dose groups, whereas indoxyl sulfic acid (indican) and cholic acid were increased. In the positive mode, uric acid, creatinine, kynurenic acid and xanthurenic acid were significantly decreased in the middle- and high-dose groups, but 7-methylguanine (N⁷G) was increased. In both negative and positive modes, diethylthiophosphate (DETP) was significantly increased, which was considered as a biomarker of exposure to phorate. In conclusion, long-term and low-level exposure to phorate can cause disturbances in energy-related metabolism, liver and kidney function, the antioxidant system, and DNA damage. Moreover, more information can be provided on the evaluation of toxicity of phorate using metabonomics combined with clinical chemistry. Copyright © 2012 John Wiley & Sons, Ltd.

Sample collection and preparation of biofluids and extracts for gas chromatography-mass spectrometry.

Science.gov (United States)

Emwas, Abdul-Hamid M; Al-Talla, Zeyad A; Kharbatia, Najeh M

2015-01-01

To maximize the utility of gas chromatography-mass spectrometry (GC-MS) in metabonomics research, all stages of the experimental design should be standardized, including sample collection, storage, preparation, and sample separation. Moreover, the prerequisite for any GC-MS analysis is that a compound must be volatile and thermally stable if it is to be analyzed using this technique. Since many metabolites are nonvolatile and polar in nature, they are not readily amenable to analysis by GC-MS and require initial chemical derivatization of the polar functional groups in order to reduce the polarity and to increase the thermal stability and volatility of the analytes. In this chapter, an overview is presented of the optimum approach to sample collection, storage, and preparation for gas chromatography-mass spectrometry-based metabonomics with particular focus on urine samples as example of biofluids.

Nuclear Analytical Techniques for Commercial Applications in China

International Nuclear Information System (INIS)

Chai, Z.; Zhang, Z.; Feng, S.; Yang, J.; Ouyang, H.; Feng, X.; Mao, X.

2013-01-01

Since the establishment of the first Chinese nuclear reactor and accelerator in 1958, the nuclear analytical techniques (NATs) in China have dramatically developed in past half century. Nowadays 10 research nuclear reactors and over 100 small accelerators are available in China. Roughly, about 50 % of the machine time is applied for commercial purpose at the moment. The versatile nuclear analytical methods, mainly NAA, PIXE, XRF, etc., in China have been and are being applied widely and extensively in the following three fields: scientific, training, and commercial. This paper will briefly describe the past experience and present status about NATs for commercial applications. Some practical examples to demonstrate the role of NATs in this aspect will be given as well. Basically, the NATs used for the commercial applications in China can be divided into two types, i.e. off-line and on-line. The former mainly includes instrumental neutron activation analysis (INAA) for compositional determination, particle induced X-ray emission (PIXE) also for compositional analysis, accelerator-based mass-spectrometry (AMS) for analysis of C-14, Be-7, Cl-36 and other long-lived radioactive nuclides, solid state nuclear track detector

Differential metabonomic profiles of primary hepatocellular carcinoma tumors from alcoholic liver disease, HBV-infected, and HCV-infected cirrhotic patients

OpenAIRE

Cao, Ding; Cai, Can; Ye, Mingxin; Gong, Junhua; Wang, Menghao; Li, Jinzheng; Gong, Jianping

2017-01-01

Our objective was to comparatively profile the metabolite composition of primary hepatocellular carcinoma (HCC) tumors from alcoholic liver disease (ALD), hepatitis B virus (HBV)-infected, and hepatitis C virus (HCV)-infected cirrhotic patients. Primary HCC tumors were collected from ALD, HBV-infected, and HCV-infected cirrhotic patients (n=20 each). High-resolution magic-angle spinning proton nuclear magnetic resonance spectroscopy and metabonomic data analysis were performed to compare HCC ...

Assessing the Value of Structured Analytic Techniques in the U.S. Intelligence Community

Science.gov (United States)

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

Metabonomic analysis of water extracts from Chinese and American ginsengs by 1H nuclear magnetic resonance: identification of chemical profile for quality control

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Chan Pui

2012-11-01

Full Text Available Abstract Background With the gaining popularity of commercially prepared decoctions of herbal medicines on the market, an objective and efficient way to reveal the authenticity of such products is urgently needed. Previous attempts to use chromatographic or spectroscopic methods to identify ginseng samples made use of components derived from methanol extracts of the herb. It was not established that these herbs can be distinguished solely from consumable components, which are responsible for the clinical efficacy of the herb. In this study, metabonomics, or metabolic profiling, based on the application of 1H-Nuclear Magnetic Resonance (NMR, is applied to distinguish the water extracts of three closely related ginseng species: P. ginseng (from two different cultivated regions in China, P. notoginseng and P. quinquefolius. Methods A water extraction protocol that mimics how ginseng decoctions are made for consumption was used to prepare triplicate samples from each herb for analysis. High-resolution 1H NMR spectroscopy was used to acquire metabolic profiles of the four ginseng samples. The spectral data were subjected to multivariate and univariate analysis to identify metabolites that were able to distinguish different types of ginseng. Results H NMR metabolic profiling was performed to distinguish the water extracts of P. ginseng cultivated in Hebei and Jilin of China, both of which were distinguished from extracts of P. notoginseng and P. quinquefolius, by unsupervised principle component analysis based on the entire 1H NMR spectral fingerprint Statistically significant differences were found for several discriminating features traced to common metabolites and the ginsenosides Rg1 and Rd, in the 1H NMR spectra. Conclusion This study demonstrated that 1H NMR metabonomics can simultaneously distinguish different ginseng species and multiple samples of the same species that were cultivated in different regions. This technique is applicable to the

Application of X-ray fluorescence analytical techniques in phytoremediation and plant biology studies

International Nuclear Information System (INIS)

Necemer, Marijan; Kump, Peter; Scancar, Janez; Jacimovic, Radojko; Simcic, Jurij; Pelicon, Primoz; Budnar, Milos; Jeran, Zvonka; Pongrac, Paula; Regvar, Marjana; Vogel-Mikus, Katarina

2008-01-01

Phytoremediation is an emerging technology that employs the use of higher plants for the clean-up of contaminated environments. Progress in the field is however handicapped by limited knowledge of the biological processes involved in plant metal uptake, translocation, tolerance and plant-microbe-soil interactions; therefore a better understanding of the basic biological mechanisms involved in plant/microbe/soil/contaminant interactions would allow further optimization of phytoremediation technologies. In view of the needs of global environmental protection, it is important that in phytoremediation and plant biology studies the analytical procedures for elemental determination in plant tissues and soil should be fast and cheap, with simple sample preparation, and of adequate accuracy and reproducibility. The aim of this study was therefore to present the main characteristics, sample preparation protocols and applications of X-ray fluorescence-based analytical techniques (energy dispersive X-ray fluorescence spectrometry-EDXRF, total reflection X-ray fluorescence spectrometry-TXRF and micro-proton induced X-ray emission-micro-PIXE). Element concentrations in plant leaves from metal polluted and non-polluted sites, as well as standard reference materials, were analyzed by the mentioned techniques, and additionally by instrumental neutron activation analysis (INAA) and atomic absorption spectrometry (AAS). The results were compared and critically evaluated in order to assess the performance and capability of X-ray fluorescence-based techniques in phytoremediation and plant biology studies. It is the EDXRF, which is recommended as suitable to be used in the analyses of a large number of samples, because it is multi-elemental, requires only simple preparation of sample material, and it is analytically comparable to the most frequently used instrumental chemical techniques. The TXRF is compatible to FAAS in sample preparation, but relative to AAS it is fast, sensitive and

Tissue Multiplatform-Based Metabolomics/Metabonomics for Enhanced Metabolome Coverage.

Science.gov (United States)

Vorkas, Panagiotis A; Abellona U, M R; Li, Jia V

2018-01-01

The use of tissue as a matrix to elucidate disease pathology or explore intervention comes with several advantages. It allows investigation of the target alteration directly at the focal location and facilitates the detection of molecules that could become elusive after secretion into biofluids. However, tissue metabolomics/metabonomics comes with challenges not encountered in biofluid analyses. Furthermore, tissue heterogeneity does not allow for tissue aliquoting. Here we describe a multiplatform, multi-method workflow which enables metabolic profiling analysis of tissue samples, while it can deliver enhanced metabolome coverage. After applying a dual consecutive extraction (organic followed by aqueous), tissue extracts are analyzed by reversed-phase (RP-) and hydrophilic interaction liquid chromatography (HILIC-) ultra-performance liquid chromatography coupled to mass spectrometry (UPLC-MS) and nuclear magnetic resonance (NMR) spectroscopy. This pipeline incorporates the required quality control features, enhances versatility, allows provisional aliquoting of tissue extracts for future guided analyses, expands the range of metabolites robustly detected, and supports data integration. It has been successfully employed for the analysis of a wide range of tissue types.

Assessment of analytical techniques for characterization of crystalline clopidogrel forms in patent applications

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Luiz Marcelo Lira

2014-04-01

Full Text Available The aim of this study was to evaluate two important aspects of patent applications of crystalline forms of drugs: (i the physicochemical characterization of the crystalline forms; and (ii the procedure for preparing crystals of the blockbuster drug clopidogrel. To this end, searches were conducted using online patent databases. The results showed that: (i the majority of patent applications for clopidogrel crystalline forms failed to comply with proposed Brazilian Patent Office guidelines. This was primarily due to insufficient number of analytical techniques evaluating the crystalline phase. In addition, some patent applications lacked assessment of chemical/crystallography purity; (ii use of more than two analytical techniques is important; and (iii the crystallization procedure for clopidogrel bisulfate form II were irreproducible based on the procedure given in the patent application.

Combined Metabonomic and Quantitative RT-PCR Analyses Revealed Metabolic Reprogramming Associated with Fusarium graminearum Resistance in Transgenic Arabidopsis thaliana

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Fangfang Chen

2018-01-01

Full Text Available Fusarium head blight disease resulting from Fusarium graminearum (FG infection causes huge losses in global production of cereals and development of FG-resistant plants is urgently needed. To understand biochemistry mechanisms for FG resistance, here, we have systematically investigated the plant metabolomic phenotypes associated with FG resistance for transgenic Arabidopsis thaliana expressing a class-I chitinase (Chi, a Fusarium-specific recombinant antibody gene (CWP2 and fused Chi-CWP2. Plant disease indices, mycotoxin levels, metabonomic characteristics, and expression levels of several key genes were measured together with their correlations. We found that A. thaliana expressing Chi-CWP2 showed higher FG resistance with much lower disease indices and mycotoxin levels than the wild-type and the plants expressing Chi or CWP2 alone. The combined metabonomic and quantitative RT-PCR analyses revealed that such FG-resistance was closely associated with the promoted biosynthesis of secondary metabolites (phenylpropanoids, alkanoids and organic osmolytes (proline, betaine, glucose, myo-inositol together with enhanced TCA cycle and GABA shunt. These suggest that the concurrently enhanced biosyntheses of the shikimate-mediated secondary metabolites and organic osmolytes be an important strategy for A. thaliana to develop and improve FG resistance. These findings provide essential biochemical information related to FG resistance which is important for developing FG-resistant cereals.

Quality assurance and quality control of nuclear analytical techniques

International Nuclear Information System (INIS)

Cincu, Emanuelathor

2001-01-01

Test and analytical laboratories in East and Central European countries need to prove the reliability and credibility of their economic, environmental, medical and legal decisions and their capacity of issuing reliable, verifiable reports. These demands imposed by the European Union aimed at avoiding a possible barrier to trade for the developing countries. In June 1999, in order to help Member States to develop according to EU objectives and the overall situation of the European market, IAEA launched a new co-operation programme designed to help the nuclear analytical laboratories in nuclear institutions and universities of Member States by training in the use of some Nuclear Analytical Techniques (NAT) that include: alpha, beta and gamma-ray spectrometry, radiochemical and neutron activation analysis, total reflection X-ray fluorescence. The Regional IAEA Project, named 'Quality Assurance/Quality Control of Nuclear Analytical Techniques' (NAT) aims at implementing the QA principles via a system of defined consecutive steps leading to a level on which the QA system is self-sustainable for formal accreditation or certification and satisfies the EU technical performance criteria; the requirements are in accordance with the new ISO/IEC 17025 Standard/Dec.1999 'General requirements for the competence of testing and calibration laboratories' - First edition. The Horia Hulubei National Institute for Nuclear Physics and Engineering, IFIN-HH, was admitted for participation in the IAEA Project in June 1999 account taken of its experience in the QA and metrology fields and its performance in the fields of beta and gamma-ray spectrometry, and radiochemical and neutron activation analysis, employed in both basic research and applications for external clients. Two working groups of specialists with the QA and Standardization and Metrology Departments and six analytical groups with the departments of Nuclear Applied Physics, Life Physics and Ionising Radiation Metrology are

New analytical techniques for cuticle chemical analysis

International Nuclear Information System (INIS)

Schulten, H.R.

1994-01-01

1) The analytical methodology of pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) and direct pyrolysis-mass spectrometry (Py-MS) using soft ionization techniques by high electric fields (FL) are briefly described. Recent advances of Py-GC/MS and Py-FIMS for the analyses of complex organic matter such as plant materials, humic substances, dissolved organic matter in water (DOM) and soil organic matter (SOM) in agricultural and forest soils are given to illustrate the potential and limitations of the applied methods. 2) Novel applications of Py-GC/MS and Py-MS in combination with conventional analytical data in an integrated, chemometric approach to investigate the dynamics of plant lipids are reported. This includes multivariate statistical investigations on maturation, senescence, humus genesis, and environmental damages in spruce ecosystems. 3) The focal point is the author's integrated investigations on emission-induced changes of selected conifer plant constituents. Pattern recognition of Py-MS data of desiccated spruce needles provides a method for distinguishing needles damaged in different ways and determining the cause. Spruce needles were collected from both controls and trees treated with sulphur dioxide (acid rain), nitrogen dioxide, and ozone under controlled conditions. Py-MS and chemometric data evaluation are employed to characterize and classify leaves and their epicuticular waxes. Preliminary mass spectrometric evaluations of isolated cuticles of different plants such as spruce, ivy, holly, and philodendron, as well as ivy cuticles treated in vivo with air pollutants such as surfactants and pesticides are given. (orig.)

The use of decision analytic techniques in energy policy decisions

International Nuclear Information System (INIS)

Haemaelaeinen, R.P.; Seppaelaeinen, T.O.

1986-08-01

The report reviews decision analytic techniques and their applications to energy policy decision making. Decision analysis consists in techniques for structuring the essential elements of a decision problem and mathematical methods for ranking the alternatives from a set of simple judgments. Because modeling subjective judgments is characteristic of decision analysis, the models can incorporate qualitative factors and values, which escape traditional energy modeling. Decision analysis has been applied to choices among energy supply alternatives, siting energy facilities, selecting nuclear waste repositories, selecting research and development projects, risk analysis and prioritizing alternative energy futures. Many applications are done in universities and research institutions, but during the 70's the use of decision analysis has spread both to the public and the private sector. The settings where decision analysis has been applied range from aiding a single decision maker to clarifying opposing points of view. Decision analytic methods have also been linked with energy models. The most valuable result of decision analysis is the clarification of the problem at hand. Political decisions cannot be made solely on the basis of models, but models can be used to gain insight of the decision situation. Models inevitably simplify reality, so they must be regarded only as aids to judgment. So far there has been only one decision analysis of energy policy issues in Finland with actual political decision makers as participants. The experiences of this project and numerous foreign applications do however suggest that the decision analytic approach is useful in energy policy questions. The report presents a number of Finnish energy policy decisions where decision analysis might prove useful. However, the applicability of the methods depends crucially on the actual circumstances at hand

Recent Trends in Microextraction Techniques Employed in Analytical and Bioanalytical Sample Preparation

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Abuzar Kabir

2017-12-01

Full Text Available Sample preparation has been recognized as a major step in the chemical analysis workflow. As such, substantial efforts have been made in recent years to simplify the overall sample preparation process. Major focusses of these efforts have included miniaturization of the extraction device; minimizing/eliminating toxic and hazardous organic solvent consumption; eliminating sample pre-treatment and post-treatment steps; reducing the sample volume requirement; reducing extraction equilibrium time, maximizing extraction efficiency etc. All these improved attributes are congruent with the Green Analytical Chemistry (GAC principles. Classical sample preparation techniques such as solid phase extraction (SPE and liquid-liquid extraction (LLE are being rapidly replaced with emerging miniaturized and environmentally friendly techniques such as Solid Phase Micro Extraction (SPME, Stir bar Sorptive Extraction (SBSE, Micro Extraction by Packed Sorbent (MEPS, Fabric Phase Sorptive Extraction (FPSE, and Dispersive Liquid-Liquid Micro Extraction (DLLME. In addition to the development of many new generic extraction sorbents in recent years, a large number of molecularly imprinted polymers (MIPs created using different template molecules have also enriched the large cache of microextraction sorbents. Application of nanoparticles as high-performance extraction sorbents has undoubtedly elevated the extraction efficiency and method sensitivity of modern chromatographic analyses to a new level. Combining magnetic nanoparticles with many microextraction sorbents has opened up new possibilities to extract target analytes from sample matrices containing high volumes of matrix interferents. The aim of the current review is to critically audit the progress of microextraction techniques in recent years, which has indisputably transformed the analytical chemistry practices, from biological and therapeutic drug monitoring to the environmental field; from foods to phyto

A Metabonomics Profiling Study on Phlegm Syndrome and Blood-Stasis Syndrome in Coronary Heart Disease Patients Using Liquid Chromatography/Quadrupole Time-of-Flight Mass Spectrometry

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Linlin Zhao

2014-01-01

Full Text Available A metabonomics approach based on liquid chromatography/quadrupole time-of-flight mass spectrometry (LC-Q-TOF/MS was utilized to obtain potential biomarkers of coronary heart disease (CHD patients and investigate the ZHENG types differentiation in CHD patients. The plasma samples of 20 CHD patients with phlegm syndrome, 20 CHD patients with blood-stasis syndrome, and 16 healthy volunteers were collected in the study. 26 potential biomarkers were identified in the plasma of CHD patients and 19 differential metabolites contributed to the discrimination of phlegm syndrome and blood-stasis syndrome in CHD patients (VIP>1.5; P<0.05 which mainly involved purine metabolism, pyrimidine metabolism, amino acid metabolism, steroid biosynthesis, and arachidonic acid metabolism. This study demonstrated that metabonomics approach based on LC-MS was useful for studying pathologic changes of CHD patients and interpreting the differentiation of ZHENG types (phlegm and blood-stasis syndrome in traditional Chinese medicine (TCM.

An Accurate Approximate-Analytical Technique for Solving Time-Fractional Partial Differential Equations

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M. Bishehniasar

2017-01-01

Full Text Available The demand of many scientific areas for the usage of fractional partial differential equations (FPDEs to explain their real-world systems has been broadly identified. The solutions may portray dynamical behaviors of various particles such as chemicals and cells. The desire of obtaining approximate solutions to treat these equations aims to overcome the mathematical complexity of modeling the relevant phenomena in nature. This research proposes a promising approximate-analytical scheme that is an accurate technique for solving a variety of noninteger partial differential equations (PDEs. The proposed strategy is based on approximating the derivative of fractional-order and reducing the problem to the corresponding partial differential equation (PDE. Afterwards, the approximating PDE is solved by using a separation-variables technique. The method can be simply applied to nonhomogeneous problems and is proficient to diminish the span of computational cost as well as achieving an approximate-analytical solution that is in excellent concurrence with the exact solution of the original problem. In addition and to demonstrate the efficiency of the method, it compares with two finite difference methods including a nonstandard finite difference (NSFD method and standard finite difference (SFD technique, which are popular in the literature for solving engineering problems.

Critical review of analytical techniques for safeguarding the thorium-uranium fuel cycle

International Nuclear Information System (INIS)

Hakkila, E.A.

1978-10-01

Conventional analytical methods applicable to the determination of thorium, uranium, and plutonium in feed, product, and waste streams from reprocessing thorium-based nuclear reactor fuels are reviewed. Separations methods of interest for these analyses are discussed. Recommendations concerning the applicability of various techniques to reprocessing samples are included. 15 tables, 218 references

Nuclear analytical techniques applied to forensic chemistry

International Nuclear Information System (INIS)

Nicolau, Veronica; Montoro, Silvia; Pratta, Nora; Giandomenico, Angel Di

1999-01-01

Gun shot residues produced by firing guns are mainly composed by visible particles. The individual characterization of these particles allows distinguishing those ones containing heavy metals, from gun shot residues, from those having a different origin or history. In this work, the results obtained from the study of gun shot residues particles collected from hands are presented. The aim of the analysis is to establish whether a person has shot a firing gun has been in contact with one after the shot has been produced. As reference samples, particles collected hands of persons affected to different activities were studied to make comparisons. The complete study was based on the application of nuclear analytical techniques such as Scanning Electron Microscopy, Energy Dispersive X Ray Electron Probe Microanalysis and Graphite Furnace Atomic Absorption Spectrometry. The essays allow to be completed within time compatible with the forensic requirements. (author)

Analytical Technique of Selection of Constructive Parameters Pneumatichydraulic Springs

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A. A. Tsipilev

2014-01-01

Full Text Available The article "Technique for Analytical Selection of Design Parameters of Pneumatichydraulic Springs concerns the ride smoothness of high-speed vehicles. Author of article Tsipilev A.A. is an assistant at chair "Multi-purpose Tracked Vehicles and Mobile Robots" of BMSTU. The article represents a synthesis of known information on the springing systems and an analysis of relation between spring design data and running gear. It describes standard units of running gear of vehicle in the context of springing systems. Classification of springing systems is considered. Modernization general policy for existing suspensions and prospects for creation of new ones are given. The article considers a design of various pneumatic-hydraulic springs to be set on domestic tracked vehicles. A developed technique allows us to have elastic characteristics of pneumatic-hydraulic springs of various types using these design data and kinematics of the running gear. The article provides recommendations to calculate characteristics of springing systems. The adequacy analysis of the given technique based on the comparison of real and rated characteristics of the existing suspension is conducted. This article can be useful to the experts dealing with springing systems of wheel and tracked vehicles.

ARPEFS as an analytic technique

International Nuclear Information System (INIS)

Schach von Wittenau, A.E.

1991-04-01

Two modifications to the ARPEFS technique are introduced. These are studied using p(2 x 2)S/Cu(001) as a model system. The first modification is the obtaining of ARPEFS χ(k) curves at temperatures as low as our equipment will permit. While adding to the difficulty of the experiment, this modification is shown to almost double the signal-to-noise ratio of normal emission p(2 x 2)S/Cu(001) χ(k) curves. This is shown by visual comparison of the raw data and by the improved precision of the extracted structural parameters. The second change is the replacement of manual fitting of the Fourier filtered χ(k) curves by the use of the simplex algorithm for parameter determination. Again using p(2 x 2)S/Cu(001) data, this is shown to result in better agreement between experimental χ(k) curves and curves calculated based on model structures. The improved ARPEFS is then applied to p(2 x 2)S/Ni(111) and (√3 x √3) R30 degree S/Ni(111). For p(2 x 2)S/Cu(001) we find a S-Cu bond length of 2.26 Angstrom, with the S adatom 1.31 Angstrom above the fourfold hollow site. The second Cu layer appears to be corrugated. Analysis of the p(2 x 2)S/Ni(111) data indicates that the S adatom adatom adsorbs onto the FCC threefold hollow site 1.53 Angstrom above the Ni surface. The S-Ni bond length is determined to be 2.13 Angstrom, indicating an outwards shift of the first layer Ni atoms. We are unable to assign a unique structure to (√3 x √3)R30 degree S/Ni(111). An analysis of the strengths and weaknesses of ARPEFS as an experimental and analytic technique is presented, along with a summary of problems still to be addressed

Metabonomic analysis of urine from rats after low-dose exposure to 3-chloro-1,2-propanediol using UPLC-MS.

Science.gov (United States)

Liu, Liyan; He, Yujie; Lu, Huimin; Wang, Maoqing; Sun, Changhao; Na, Lixin; Li, Ying

2013-05-15

To study the toxic effect of chronic exposure to 3-chloro-1,2-propanediol (3-MCPD) at low doses, a metabonomics approach based on ultrahigh-performance liquid chromatography and quadruple time-of-flight mass spectrometry (UPLC-Q-TOF-MS) was performed. Two different doses of 3-MCPD (1.1 and 5.5mg/kg bw/d) were administered to Wistar rats for 120 days (1.1mg/kg bw/d: lowest observed adverse effect level [LOAEL]). The metabolite profiles and biochemical parameters were obtained at five time points after treatment. For the 3-MCPD-treated groups, a significant change in urinary N-acetyl-β-d-glucosaminidase and β-d-galactosidase was detected on day 90, while some biomarkers based on the metabonomics, such as N-acetylneuraminic acid, N-acetyl-l-tyrosine, and gulonic acid, were detected on day 30. These results suggest that these biomarkers changed more sensitively and earlier than conventional biochemical parameters and were thus considered early and sensitive biomarkers of exposure to 3-MCPD; these biomarkers provide more information on toxicity than conventional biochemical parameters. These results might be helpful to investigate the toxic mechanisms of 3-MCPD and provide a scientific basis for assessing the effect of chronic exposure to low-dose 3-MCPD on human health. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

Global Metabolic Stress of Isoeffort Continuous and High Intensity Interval Aerobic Exercise: A Comparative 1H NMR Metabonomic Study.

Science.gov (United States)

Zafeiridis, Andreas; Chatziioannou, Anastasia Chrysovalantou; Sarivasiliou, Haralambos; Kyparos, Antonios; Nikolaidis, Michalis G; Vrabas, Ioannis S; Pechlivanis, Alexandros; Zoumpoulakis, Panagiotis; Baskakis, Constantinos; Dipla, Konstantina; Theodoridis, Georgios A

2016-12-02

The overall metabolic/energetic stress that occurs during an acute bout of exercise is proposed to be the main driving force for long-term training adaptations. Continuous and high-intensity interval exercise protocols (HIIE) are currently prescribed to acquire the muscular and metabolic benefits of aerobic training. We applied 1 H NMR-based metabonomics to compare the overall metabolic perturbation and activation of individual bioenergetic pathways of three popular aerobic exercises matched for effort/strain. Nine men performed continuous, long-interval (3 min), and short-interval (30 s) bouts of exercise under isoeffort conditions. Blood was collected before and after exercise. The multivariate PCA and OPLS-DA models showed a distinct separation of pre- and postexercise samples in three protocols. The two models did not discriminate the postexercise overall metabolic profiles of the three exercise types. Analysis focused on muscle bioenergetic pathways revealed an extensive upregulation of carbohydrate-lipid metabolism and the TCA cycle in all three protocols; there were only a few differences among protocols in the postexercise abundance of molecules when long-interval bouts were performed. In conclusion, continuous and HIIE exercise protocols, when performed with similar effort/strain, induce comparable global metabolic response/stress despite their marked differences in work-bout intensities. This study highlights the importance of NMR metabonomics in comprehensive monitoring of metabolic consequences of exercise training in the blood of athletes and exercising individuals.

Metabonomic profiling of renal cell carcinoma: High-resolution proton nuclear magnetic resonance spectroscopy of human serum with multivariate data analysis

International Nuclear Information System (INIS)

Gao Hongchang; Dong Baijun; Liu Xia; Xuan Hanqing; Huang Yiran; Lin Donghai

2008-01-01

Metabonomic profiling using proton nuclear magnetic resonance ( 1 H NMR) spectroscopy and multivariate data analysis of human serum samples was used to characterize metabolic profiles in renal cell carcinoma (RCC). We found distinct, easily detectable differences between (a) RCC patients and healthy humans, (b) RCC patients with metastases and without metastases, and (c) RCC patients before and after nephrectomy. Compared to healthy human serum, RCC serum had higher levels of lipid (mainly very low-density lipoproteins), isoleucine, leucine, lactate, alanine, N-acetylglycoproteins, pyruvate, glycerol, and unsaturated lipid, together with lower levels of acetoacetate, glutamine, phosphatidylcholine/choline, trimethylamine-N-oxide, and glucose. This pattern was somewhat reversed after nephrectomy. Altered metabolite concentrations are most likely the result of the cells switching to glycolysis to maintain energy homeostasis following the loss of ATP caused by impaired TCA cycle in RCC. Serum NMR spectra combined with principal component analysis techniques offer an efficient, convenient way of depicting tumour biochemistry and stratifying tumours under different pathophysiological conditions. It may be able to assist early diagnosis and postoperative surveillance of human malignant diseases using single blood samples

Application of nuclear analytical techniques to investigate trace element content in foodstuffs

International Nuclear Information System (INIS)

Gharib, A.

1985-01-01

The study performed as a joint project with the IAEA includes those foodstuffs which are being used widely in Iran. It was investigated their nutritional requirements, interrelations and the role of their trace elements in metabolism. Various analytical techniques was assessed and compared. The methods involved in the study were ASS, PIXE and NAA (instrumental and radiochemical)

A Metabonomic Comparison of Urinary Changes in Zucker and GK Rats

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Liang-Cai Zhao

2010-01-01

Full Text Available To further investigate pathogenesis and pathogenic process of type 2 diabetes mellitus (T2DM, we compared the urinary metabolic profiling of Zucker obese and Goto-kakizaki (GK rats by NMR-based metabonomics. Principal component analysis (PCA on urine samples of both models rats indicates markedly elevated levels of creatine/creatinine, dimethylamine, and acetoacetate, with concomitantly declined levels of citrate, 2-ketoglurarate, lactate, hippurate, and succinate compared with control rats, respectively. Simultaneously, compared with Zucker obese rats, the GK rats show decreased levels of trimethylamine, acetate, and choline, as well as increased levels of creatine/creatinine, acetoacetate, alanine, citrate, 2-ketoglutarate, succinate, lactate, and hippurate. This study demonstrates metabolic similarities between the two stages of T2DM, including reduced tricarboxylic acid (TCA cycle and increased ketone bodies production. In addition, compared with Zucker obese rats, the GK rats have enhanced concentration of energy metabolites, which indicates energy metabolic changes produced in hyperglycemia stage more than in insulin resistance stage.

Metabonomic study of the biochemical profiles of heterozygous myostatin knockout swine

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Jianxiang XU,Dengke PAN,Jie ZHAO,Jianwu WANG,Xiaohong HE,Yuehui MA,Ning LI

2015-03-01

Full Text Available Myostatin is a transforming growth factor-β family member that normally acts to limit skeletal muscle growth. Myostatin gene (MSTN knockout (KO mice show possible effects for the prevention or treatment of metabolic disorders such as obesity and type 2 diabetes. We applied chromatography and mass spectrometry based metabonomics to assess system-wide metabolic response of heterozygous MSTN KO (MSTN+/- swine. Most of the metabolic data for MSTN+/- swine were similar to the data for wild type (WT control swine. There were, however, metabolic changes related to fatty acid metabolism, glucose utilization, lipid metabolism, as well as BCAA catabolism caused by monoallelic MSTN depletion.The statistical analyses suggested that: (1 most metabolic changes were not significant in MSTN+/- swine compared to WT swine; (2 only a few metabolic properties were significantly different between KO and WT swine, especially for lipid metabolism. Significantly, these minor changes were most evident in female KO swine and suggested differences in gender sensitivity to myostatin.

Study of the analytic quality in the determinations of Cr, Fe, Mn, Cu, Zn, Pb and Hg through conventional and nuclear analytical techniques in mosses of the MATV

International Nuclear Information System (INIS)

Caballero S, B.

2013-01-01

To evaluate the environmental risks of air pollution and to facilitate the decision-making for control, is necessary to have the capacity to generate data with analytical quality. A comparison between nuclear (Neutron activation analysis and total reflection X-ray fluorescence spectrometry) and no nuclear analytical techniques (atomic absorption spectrometry and inductively coupled plasma optical emission spectrometry) for simultaneous determination of metal content (Cr, Cu, Fe, Hg, Mn, Pb and Zn) in mosses from Metropolitan Area of the Toluca Valley (MATV) was performed. Epiphytic mosses (Fabriona ciliaris and Leskea angustata) were sampled in two campaigns, 16 sites (urban, transition and natural) and were prepared for each technique. The biological certified reference materials were used for the quality control and to evaluate accuracy, precision, linearity, detection and quantification limits. Results show that nuclear analytical techniques and no nuclear applied in chemical analysis of Cr, Cu, Fe, Hg, Mn, Pb and Zn in moss from MATV are comparable and therefore all of these can potentially be used for this purpose. However, if its considered both, the performance parameters and economic/operational characteristics is widely recommended inductively coupled plasma optical emission spectrometry, conventional analytical technique, which showed the highest analytical grade quality. Also were observed spatial and temporal variations in the concentrations of Cr, Cu, Fe, Hg, Mn, Pb and Zn in mosses from MATV and was discussed its potential origin. The urban sites had the highest concentration of anthropogenic elements as Cr, Cu, Fe, Hg, Pb and Zn because are strongly impacted by roads with high vehicle traffic. (Author)

Short-term toxicity assessments of an antibiotic metabolite in Wistar rats and its metabonomics analysis by ultra-high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Han, Hongxing; Xiao, Hailong; Lu, Zhenmei

2016-02-15

4-Epi-oxytetracycline (4-EOTC), one of main oxytetracycline (OTC) metabolites, can be commonly detected in food and environment. The toxicity and effects of OTC on animals have been well characterized; however, its metabolites have never been studied systemically. This study aims to investigate 15-day oral dose toxicity and urine metabonomics changes of 4-EOTC after repeated administration in Wistar rats at daily doses of 0.5, 5.0 and 50.0mg/kg bw (bodyweight). Hematology and clinical chemistry parameters, including white blood cell count, red blood cell count, total protein, globulin and albumin/globulin, were obviously altered in rats of 5.0 and 50.0mg/kg bw. Histopathology changes of kidney and liver tissues were also observed in high-dose groups. Urinary metabolites from all groups were analyzed using ultra-high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS). Seventeen metabolites contributing to the clusters were identified as potential biomarkers from multivariate analysis, including aminoadipic acid, 6-phosphogluconate, sebacic acid, pipecolic acid, etc. The significant changes of these biomarkers demonstrated metabonomic variations in treated rats, especially lysine and purine metabolism. For the first time in this paper, we combined the results of toxicity and metabonomics induced by 4-EOTC for the serious reconsideration of the safety and potential risks of antibiotics and its degradation metabolites. Copyright © 2016 Elsevier Inc. All rights reserved.

A Novel Analytical Technique for Optimal Allocation of Capacitors in Radial Distribution Systems

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Sarfaraz Nawaz

2017-07-01

Full Text Available In this paper, a novel analytical technique is proposed to determine the optimal size and location of shunt capacitor units in radial distribution systems. An objective function is formulated to reduce real power loss, to improve the voltage profile and to increase annual cost savings. A new constant, the Loss Sensitivity Constant (LSC, is proposed here. The value of LSC decides the location and size of candidate buses. The technique is demonstrated on an IEEE-33 bus system at different load levels and the 130-bus distribution system of Jamawa Ramgarh village, Jaipur city. The obtained results are compared with the latest optimization techniques to show the effectiveness and robustness of the proposed technique.

Analytical techniques for the determination of radiochemical purity of radiopharmaceuticals prepared from kits

International Nuclear Information System (INIS)

McLean, J.R.; Rockwell, L.J.; Welsh, W.J.

1977-01-01

The evaluation of efficacy of commercially available kits used for the preparation of radiopharmaceuticals is one aspect of the Radiation Protection Bureau's radiopharmaceutical quality control program. This report describes some of the analytical methodology employed in the program. The techniques may be of interest to hospital radiopharmacy personnel as many of the tests can be performed rapidly and with a minimum of special equipment, thus enabling the confirmation of radiopharmaceutical purity prior to patient administration. Manufacturers of kits may also be interested in learning of the analytical methods used in the assessment of their products. (auth)

Nuclear analytical techniques for nanotoxicology studies

International Nuclear Information System (INIS)

Zhang, Z.Y.; Zhao, Y.L.; Chai, Z.F.

2011-01-01

With the rapid development of nanotechnology and its applications, a wide variety of nanomaterials are now used in commodities, pharmaceutics, cosmetics, biomedical products, and industries. The potential interactions of nanomaterials with living systems and the environment have attracted increasing attention from the public, as well as from manufacturers of nanomaterial-based products, academic researchers and policymakers. It is important to consider the environmental, health and safety aspects at an early stage of nanomaterial development and application in order to more effectively identify and manage potential human and environmental health impacts from nanomaterial exposure. This will require research in a range of areas, including detection and characterization, environmental fate and transport, ecotoxicology and toxicology. Nuclear analytical techniques (NATs) can play an important role in such studies due to their intrinsic merits such as high sensitivity, good accuracy, high space resolution, ability to distinguish the endogenous or exogenous sources of materials, and ability of in situ and in vivo analysis. In this paper, the applications of NATs in nanotoxicological and nano-ecotoxicological studies are outlined, and some recent results obtained in our laboratory are reported. (orig.)

Biological responses to perfluorododecanoic acid exposure in rat kidneys as determined by integrated proteomic and metabonomic studies.

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Hongxia Zhang

Full Text Available BACKGROUND: Perfluorododecanoic acid (PFDoA is a perfluorinated carboxylic chemical (PFC that has broad applications and distribution in the environment. While many studies have focused on hepatotoxicity, immunotoxicity, and reproductive toxicity of PFCAs, few have investigated renal toxicity. METHODOLOGY/PRINCIPAL FINDINGS: Here, we used comparative proteomic and metabonomic technologies to provide a global perspective on renal response to PFDoA. Male rats were exposed to 0, 0.05, 0.2, and 0.5 mg/kg/day of PFDoA for 110 days. After 2-D DIGE and MALDI TOF/TOF analysis, 79 differentially expressed proteins between the control and the PFDoA treated rats (0.2 and 0.5 mg-dosed groups were successfully identified. These proteins were mainly involved in amino acid metabolism, the tricarboxylic acid cycle, gluconeogenesis, glycolysis, electron transport, and stress response. Nuclear magnetic resonance-based metabonomic analysis showed an increase in pyruvate, lactate, acetate, choline, and a variety of amino acids in the highest dose group. Furthermore, the profiles of free amino acids in the PFDoA treated groups were investigated quantitatively by high-coverage quantitative iTRAQ-LC MS/MS, which showed levels of sarcosine, asparagine, histidine, 1-methylhistidine, Ile, Leu, Val, Trp, Tyr, Phe, Cys, and Met increased markedly in the 0.5 mg dosed group, while homocitrulline, α-aminoadipic acid, β-alanine, and cystathionine decreased. CONCLUSION/SIGNIFICANCE: These observations provide evidence that disorders in glucose and amino acid metabolism may contribute to PFDoA nephrotoxicity. Additionally, α(2u globulin may play an important role in protecting the kidneys from PFDoA toxicity.

Urinary metabonomics elucidate the therapeutic mechanism of Orthosiphon stamineus in mouse crystal-induced kidney injury.

Science.gov (United States)

Gao, Songyan; Chen, Wei; Peng, Zhongjiang; Li, Na; Su, Li; Lv, Diya; Li, Ling; Lin, Qishan; Dong, Xin; Guo, Zhiyong; Lou, Ziyang

2015-05-26

Orthosiphon stamineus (OS), a traditional Chinese herb, is often used for promoting urination and treating nephrolithiasis. Urolithiasis is a major worldwide public health burden due to its high incidence of recurrence and damage to renal function. However, the etiology for urolithiasis is not well understood. Metabonomics, the systematic study of small molecule metabolites present in biological samples, has become a valid and powerful tool for understanding disease phenotypes. In this study, a urinary metabolic profiling analysis was performed in a mouse model of renal calcium oxalate crystal deposition to identify potential biomarkers for crystal-induced renal damage and the anti-crystal mechanism of OS. Thirty six mice were randomly divided into six groups including Saline, Crystal, Cystone and OS at dosages of 0.5g/kg, 1g/kg, and 2g/kg. A metabonomics approach using ultra-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry (UHPLC-Q-TOF/MS) was developed to perform the urinary metabolic profiling analysis. Principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) were utilized to identify differences between the metabolic profiles of mice in the saline control group and crystal group. Using partial least squares-discriminant analysis, 30 metabolites were identified as potential biomarkers of crystal-induced renal damage. Most of them were primarily involved in amino acid metabolism, taurine and hypotaurine metabolism, purine metabolism, and the citrate cycle (TCA). After the treatment with OS, the levels of 20 biomarkers had returned to the levels of the control samples. Our results suggest that OS has a protective effect for mice with crystal-induced kidney injury via the regulation of multiple metabolic pathways primarily involving amino acid, energy and choline metabolism. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Metabonomic Response to Milk Proteins after a Single Bout of Heavy Resistance Exercise Elucidated by 1H Nuclear Magnetic Resonance Spectroscopy

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Hanne Christine Bertram

2013-01-01

Full Text Available In the present study, proton NMR-based metabonomics was applied on femoral arterial plasma samples collected from young male subjects (milk protein n = 12 in a crossover design; non-caloric control n = 8 at different time intervals (70, 220, 370 min after heavy resistance training and intake of either a whey or calcium caseinate protein drink in order to elucidate the impact of the protein source on post-exercise metabolism, which is important for muscle hypertrophy. Dynamic changes in the post-exercise plasma metabolite profile consisted of fluctuations in alanine, beta-hydroxybutyrate, branched amino acids, creatine, glucose, glutamine, glutamate, histidine, lipids and tyrosine. In comparison with the intake of a non-caloric drink, the same pattern of changes in low-molecular weight plasma metabolites was found for both whey and caseinate intake. However, the study indicated that whey and caseinate protein intake had a different impact on low-density and very-low-density lipoproteins present in the blood, which may be ascribed to different effects of the two protein sources on the mobilization of lipid resources during energy deficiency. In conclusion, no difference in the effects on low-molecular weight metabolites as measured by proton NMR-based metabonomics was found between the two protein sources.

Integration of ¹H NMR and UPLC-Q-TOF/MS for a comprehensive urinary metabonomics study on a rat model of depression induced by chronic unpredictable mild stress.

Directory of Open Access Journals (Sweden)

Hong-Mei Jia

Full Text Available Depression is a type of complex psychiatric disorder with long-term, recurrent bouts, and its etiology remains largely unknown. Here, an integrated approach utilizing (1H NMR and UPLC-Q-TOF/MS together was firstly used for a comprehensive urinary metabonomics study on chronic unpredictable mild stress (CUMS treated rats. More than twenty-nine metabolic pathways were disturbed after CUMS treatment and thirty-six potential biomarkers were identified by using two complementary analytical technologies. Among the identified biomarkers, nineteen (10, 11, 16, 17, 21-25, and 27-36 were firstly reported as potential biomarkers of CUMS-induced depression. Obviously, this paper presented a comprehensive map of the metabolic pathways perturbed by CUMS and expanded on the multitude of potential biomarkers that have been previously reported in the CUMS model. Four metabolic pathways, including valine, leucine and isoleucine biosynthesis; phenylalanine, tyrosine and tryptophan biosynthesis; tryptophan metabolism; synthesis and degradation of ketone bodies had the deepest influence in the pathophysiologic process of depression. Fifteen potential biomarkers (1-2, 4-6, 15, 18, 20-23, 27, 32, 35-36 involved in the above four metabolic pathways might become the screening criteria in clinical diagnosis and predict the development of depression. Moreover, the results of Western blot analysis of aromatic L-amino acid decarboxylase (DDC and indoleamine 2, 3-dioxygenase (IDO in the hippocampus of CUMS-treated rats indicated that depletion of 5-HT and tryptophan, production of 5-MT and altered expression of DDC and IDO together played a key role in the initiation and progression of depression. In addition, none of the potential biomarkers were detected by NMR and LC-MS simultaneously which indicated the complementary of the two kinds of detection technologies. Therefore, the integration of (1H NMR and UPLC-Q-TOF/MS in metabonomics study provided an approach to identify

H Nuclear magnetic resonance based metabonomics data analysis in rheumatoid arthritis

Directory of Open Access Journals (Sweden)

Mohammad Arjmand

2014-05-01

Full Text Available Background: Rheumatoid arthritis (RA is a chronic, systematic inflammatory disorder that may affect many tissues and organs, but principally attacks synovial joints and it is a common rheumatic disease with many subtypes. Nuclear Magnetic resonance (1H NMR spectrometers with high sensitivity, resolution and dynamic range has permitted the rapid, simultaneous investigation of complex mixtures of endogenous or exogenous components present in biological materials. Metabonomics is the systematic study of chemical finger print resulted from cell reactions and could be used as a new biomarker for early disease diagnosis. In the present investigation, we studied serum metabolic profile in rheumatoid arthritis (RA in order to find out the metabolic finger print pattern of the disease. Materials and methods: In our metabonomics study serum samples were collected from 16 patients with active RA, and from equal number of healthy subjects. They were evaluated during a one-year follow-up with the assessment of disease activity and 1H NMR spectroscopy of sera samples. In all the cases, the presence of active rheumatoid arthritis was shown by an increase in the T1 values of the synovium of the joints. We specified and classified all metabolites using PCA, PLSDA chemometrics methods. Chenomx (Trail Version and ProMetab codes in Matlab software environments were used for our data analysis. Results were compared with the NMR metabolite data bank (www.metabolomics.ca. Anti-CCP, ANA and urea were also analyzed by ElISA and colorimetric methods respectively. Results: The most changes identified in this study were in the biosynthesis pathways of steroid hormones, biotin, fatty acids, amino acids (Leucine, Valin and isoleucine and also linoleic acid. Conclusion: In rheumatoid arthritis disease, the activation of the immune system consumes larg amounts of energy. The main donor of free energy in cells is ATP, which is generated by both glycolysis and oxidative

An Overview of Analytical Determination of Diltiazem, Cimetidine, Ranitidine, and Famotidine by UV Spectrophotometry and HPLC Technique

Directory of Open Access Journals (Sweden)

Nighat Shafi

2013-01-01

Full Text Available This review article recapitulates the analytical methods for the quantitative determinations of diltiazem and three H2 receptor antagonists (cimetidine, ranitidine, and famotidine by one of the spectroscopic technique (UV spectrophotometery and separation technique such as high-performance liquid chromatography (HPLC. The clinical and pharmaceutical analysis of these drugs requires effective analytical procedures for quality control, pharmaceutical dosage formulations, and biological fluids. An extensive survey of the literature published in various analytical and pharmaceutical chemistry-related journals has been compiled in its review. A synopsis of reported spectrophotometric and high-performance liquid chromatographic methods for individual drug is integrated. This appraisal illustrates that majority of the HPLC methods reviewed are based on the quantitative analysis of drugs in biological fluids, and they are appropriate for therapeutic drug monitoring purpose.

A review of analytical techniques for the determination of carbon-14 in environmental samples

International Nuclear Information System (INIS)

Milton, G.M.; Brown, R.M.

1993-11-01

This report contains a brief summary of analytical techniques commonly used for the determination of radiocarbon in a variety of environmental samples. Details of the applicable procedures developed and tested in the Environmental Research Branch at Chalk River Laboratories are appended

Serum metabonomics study of anti-depressive effect of Xiao-Chai-Hu-Tang on rat model of chronic unpredictable mild stress.

Science.gov (United States)

Xiong, Zhili; Yang, Jie; Huang, Yue; Zhang, Kuo; Bo, Yunhai; Lu, Xiumei; Su, Guangyue; Ma, Jie; Yang, Jingyu; Zhao, Longshan; Wu, Chunfu

2016-09-01

Xiao-Chai-Hu-Tang (XCHT) has been proven to be effective for the clinical treatment of depression. However, the mechanisms of definite antidepressant-like effects and detailed metabolic biomarkers were still unclear in this prior study. Here, we have investigated the metabolic profiles and potential biomarkers in a chronic unpredictable mild stress model after treatment with XCHT. Metabonomics based on ultra-high performance liquid chromatography coupled with mass spectrometry was used to profile the metabolic fingerprints of serum obtained from a rat model with chronic unpredictable mild stress with and without XCHT treatment. The model rats showed a significant decrease in sucrose preference and food consumption, and these depression-like symptoms were significantly improved by XCHT. Through principal component analysis (PCA), nine potential biomarkers of tryptophan, uric acid, phenylalanine, cholic acid and lysophosphatidylcholine (C18:0 LPC, C16:0 LPC, C16:1 LPC, C18:1 LPC, C20:4 LPC) were characterized as potential biomarkers involved the pathogenesis of depression. The therapeutic effect of XCHT on depression may involve in amino acid metabolism, lipid metabolism, oxidative stress and inflammation response. The present investigation highlights that metabonomics is a valuable tool for studying the essence of depression as well as evaluating the efficacy of the corresponding drug treatment. Copyright © 2016 Elsevier B.V. All rights reserved.

Metabonomics applied in exploring the antitumour mechanism of physapubenolide on hepatocellular carcinoma cells by targeting glycolysis through the Akt-p53 pathway

OpenAIRE

Ma, Ting; Fan, Bo-Yi; Zhang, Chao; Zhao, Hui-Jun; Han, Chao; Gao, Cai-Yun; Luo, Jian-Guang; Kong, Ling-Yi

2016-01-01

Metabolomics can be used to identify potential markers and discover new targets for future therapeutic interventions. Here, we developed a novel application of the metabonomics method based on gas chromatography-mass spectrometry (GC/MS) analysis and principal component analysis (PCA) for rapidly exploring the anticancer mechanism of physapubenolide (PB), a cytotoxic withanolide isolated from Physalis species. PB inhibited the proliferation of hepatocellular carcinoma cells in vitro and in vi...

MS-Based Analytical Techniques: Advances in Spray-Based Methods and EI-LC-MS Applications

Science.gov (United States)

Medina, Isabel; Cappiello, Achille; Careri, Maria

2018-01-01

Mass spectrometry is the most powerful technique for the detection and identification of organic compounds. It can provide molecular weight information and a wealth of structural details that give a unique fingerprint for each analyte. Due to these characteristics, mass spectrometry-based analytical methods are showing an increasing interest in the scientific community, especially in food safety, environmental, and forensic investigation areas where the simultaneous detection of targeted and nontargeted compounds represents a key factor. In addition, safety risks can be identified at the early stage through online and real-time analytical methodologies. In this context, several efforts have been made to achieve analytical instrumentation able to perform real-time analysis in the native environment of samples and to generate highly informative spectra. This review article provides a survey of some instrumental innovations and their applications with particular attention to spray-based MS methods and food analysis issues. The survey will attempt to cover the state of the art from 2012 up to 2017.

Studies on Pt–Mo phases using analytical techniques with high resolution

Energy Technology Data Exchange (ETDEWEB)

Topic, M., E-mail: mtopic@tlabs.ac.za [iThemba LABS, National Research Foundation, P.O. Box 722, Somerset West 7129 (South Africa); Khumalo, Z. [iThemba LABS, National Research Foundation, P.O. Box 722, Somerset West 7129 (South Africa); University of Cape Town, Physics Department, Private Bag X3, Rondebosch 7701 (South Africa); Pineda-Vargas, C.A. [iThemba LABS, National Research Foundation, P.O. Box 722, Somerset West 7129 (South Africa); Faculty of Health and Wellness Sciences, CPUT, Belville (South Africa)

2014-01-01

Pt–Mo coated system annealed at 1050 °C for 24 h was investigated using several analytical techniques with high resolution (SEM/EDX, μ-PIXE, RBS and XRD). These techniques provide structural and compositional data throughout the material depth and probing area. The results depend on the applied beam, its energy and size. They contribute to a better understanding of thermal annealing effects on the solid-state phase transformation and morphological changes in Pt–Mo coatings. The results indicate the presence of Pt- and Mo-solid solutions and two Pt–Mo phases (PtMo and Pt{sub 2}Mo{sub 3}), changes in the coating morphology, such as increased surface roughness and formation of “lace morphology”, as well as an increase in coating thickness.

Metabonomics Combined with UPLC-MS Chemical Profile for Discovery of Antidepressant Ingredients of a Traditional Chinese Medicines Formula, Chaihu-Shu-Gan-San

Directory of Open Access Journals (Sweden)

Hongmei Jia

2013-01-01

Full Text Available This study proposed a new strategy for uncovering the active chemical constituents of a traditional Chinese medicines (TCMs formula, Chaihu-Shu-Gan-San (CSGS. Metabonomics and chemical profile were integrated in combination with the multivariate statistical analysis (MVA to discover the chemical constituents which contribute to the antidepressant effect of CSGS. Based upon the difference between CSGS and QZ (CSGS without Zhi-Qiao extracts in the chemical profiles and the regulations of metabolic disturbances induced by CUMS, synephrine, naringin, hesperidin, and neohesperidin were recognized as the active constituents of CSGS from Zhi-qiao responsible for those missing regulations of CSGS when Zhi-Qiao was subtracted from the whole formula. They participated in the regulations of the deviated metabolites 2–4, 10–14, and 22–25, involved in metabolic pathways of ketone bodies synthesis, phenylalanine, tyrosine and tryptophan biosynthesis, valine, aspartate, glutamate metabolism, and glycolysis/gluconeogenesis. Furthermore, the assay of MAO-A activity confirmed the potential antidepressant effect of naringin and its active sites on the MAO-A was inferred by molecular docking study. The integration of metabonomics and chemical profile was proved to be a useful strategy for uncovering what the active chemical constituents in TCM formula are and how they make contributions for the efficacy of the formula.

NMR-based metabonomic study of the sub-acute toxicity of titanium dioxide nanoparticles in rats after oral administration

Science.gov (United States)

Bu, Qian; Yan, Guangyan; Deng, Pengchi; Peng, Feng; Lin, Hongjun; Xu, Youzhi; Cao, Zhixing; Zhou, Tian; Xue, Aiqin; Wang, Yanli; Cen, Xiaobo; Zhao, Ying-Lan

2010-03-01

As titanium dioxide nanoparticles (TiO2 NPs) are widely used commercially, their potential toxicity on human health has attracted particular attention. In the present study, the oral toxicological effects of TiO2 NPs (dosed at 0.16, 0.4 and 1 g kg - 1, respectively) were investigated using conventional approaches and metabonomic analysis in Wistar rats. Serum chemistry, hematology and histopathology examinations were performed. The urine and serum were investigated by 1H nuclear magnetic resonance (NMR) using principal components and partial least squares discriminant analysis. The metabolic signature of urinalysis in TiO2 NP-treated rats showed increases in the levels of taurine, citrate, hippurate, histidine, trimethylamine-N-oxide (TMAO), citrulline, α-ketoglutarate, phenylacetylglycine (PAG) and acetate; moreover, decreases in the levels of lactate, betaine, methionine, threonine, pyruvate, 3-D-hydroxybutyrate (3-D-HB), choline and leucine were observed. The metabonomics analysis of serum showed increases in TMAO, choline, creatine, phosphocholine and 3-D-HB as well as decreases in glutamine, pyruvate, glutamate, acetoacetate, glutathione and methionine after TiO2 NP treatment. Aspartate aminotransferase (AST), creatine kinase (CK) and lactate dehydrogenase (LDH) were elevated and mitochondrial swelling in heart tissue was observed in TiO2 NP-treated rats. These findings indicate that disturbances in energy and amino acid metabolism and the gut microflora environment may be attributable to the slight injury to the liver and heart caused by TiO2 NPs. Moreover, the NMR-based metabolomic approach is a reliable and sensitive method to study the biochemical effects of nanomaterials.

NMR-based metabonomic study of the sub-acute toxicity of titanium dioxide nanoparticles in rats after oral administration

International Nuclear Information System (INIS)

Bu Qian; Lin Hongjun; Xu Youzhi; Cao Zhixing; Zhou Tian; Zhao Yinglan; Yan Guangyan; Cen Xiaobo; Deng Pengchi; Peng Feng; Xue Aiqin; Wang Yanli

2010-01-01

As titanium dioxide nanoparticles (TiO 2 NPs) are widely used commercially, their potential toxicity on human health has attracted particular attention. In the present study, the oral toxicological effects of TiO 2 NPs (dosed at 0.16, 0.4 and 1 g kg -1 , respectively) were investigated using conventional approaches and metabonomic analysis in Wistar rats. Serum chemistry, hematology and histopathology examinations were performed. The urine and serum were investigated by 1 H nuclear magnetic resonance (NMR) using principal components and partial least squares discriminant analysis. The metabolic signature of urinalysis in TiO 2 NP-treated rats showed increases in the levels of taurine, citrate, hippurate, histidine, trimethylamine-N-oxide (TMAO), citrulline, α-ketoglutarate, phenylacetylglycine (PAG) and acetate; moreover, decreases in the levels of lactate, betaine, methionine, threonine, pyruvate, 3-D-hydroxybutyrate (3-D-HB), choline and leucine were observed. The metabonomics analysis of serum showed increases in TMAO, choline, creatine, phosphocholine and 3-D-HB as well as decreases in glutamine, pyruvate, glutamate, acetoacetate, glutathione and methionine after TiO 2 NP treatment. Aspartate aminotransferase (AST), creatine kinase (CK) and lactate dehydrogenase (LDH) were elevated and mitochondrial swelling in heart tissue was observed in TiO 2 NP-treated rats. These findings indicate that disturbances in energy and amino acid metabolism and the gut microflora environment may be attributable to the slight injury to the liver and heart caused by TiO 2 NPs. Moreover, the NMR-based metabolomic approach is a reliable and sensitive method to study the biochemical effects of nanomaterials.

Application of metabonomics on an experimental model of fibrosis and cirrhosis induced by thioacetamide in rats

International Nuclear Information System (INIS)

Constantinou, Maria A.; Theocharis, Stamatios E.; Mikros, Emmanuel

2007-01-01

Metabonomics has already been used to discriminate different pathological states in biological fields. The metabolic profiles of chronic experimental fibrosis and cirrhosis induction in rats were investigated using 1 H NMR spectroscopy of liver extracts and serum combined with pattern recognition techniques. Rats were continuously administered with thioacetamide (TAA) in the drinking water (300 mg TAA/L), and sacrificed on 1st, 2nd, and 3rd month of treatment. 1 H NMR spectra of aqueous and lipid liver extracts, together with serum were subjected to Principal Component Analysis (PCA). Liver portions were also subjected to histopathological examination and biochemical determination of malondialdehyde (MDA). Liver fibrosis and cirrhosis were progressively induced in TAA-treated rats, verified by the histopathological examination and the alterations of MDA levels. TAA administration revealed a number of changes in the 1 H NMR spectra compared to control samples. The performance of PCA in liver extracts and serum, discriminated the control samples from the fibrotic and cirrhotic ones. Metabolic alterations revealed in NMR spectra during experimental liver fibrosis and cirrhosis induction, characterize the stage of fibrosis and could be illustrated by subsequent PCA of the spectra. Additionally, the PCA plots of the serum samples presented marked clustering during fibrosis progression and could be extended in clinical diagnosis for the management of cirrhotic patients

[Plasma metabonomics of Guifu Dihuang Wan in the treatment of yang deficiency].

Science.gov (United States)

Xiao, Ya; Jing, Yuan; Chen, Jie-Yu; Li, Fei; Cheng, Jing-Ru; Bi, Jian-Lu; Luo, Ren; Zhao, Xiao-Shan

2016-11-20

To assess the effect of Guifu Dihuang Wan (GFDHW) in the treatment of yang deficiency and explore the underlying molecular mechanism. Sixty-two participants without diseases were randomized into control group (n=31) and experimental group (n=31) and were given lifestyle intervention additional GFDHW treatment for a month. NMR technology was used for metabonomics analysis. Intervention with GFDHW resulted in significantly decreased conversion scores of yang deficiency in the experimental group compared with the control group (P<0.005). The concentrations of lactate, valine, proline, arginine and 3-hydroxybutyrate were increased in the plasma of yang-deficient subjects after lifestyle intervention. GFDHW treatment with lifestyle intervention significantly increased the concentrations of lactate, valine, proline, arginine and 3-hydroxybutyrate and also the levels of alanine, glutamine, alpha glucose, isoleucine, betaine and propylene glycol. GFDHW treatment improves yang deficiency possibly by increasing the concentrations of alanine, glutamine, alpha glucose, isoleucine, betaine and propylene glycol and promoting energy metabolism of the body.

Human urine as test material in 1H NMR-based metabonomics: recommendations for sample preparation and storage.

Science.gov (United States)

Lauridsen, Michael; Hansen, Steen H; Jaroszewski, Jerzy W; Cornett, Claus

2007-02-01

Metabonomic approaches are believed to have the capability of revolutionizing diagnosis of diseases and assessment of patient conditions after medical interventions. In order to ensure comparability of metabonomic 1H NMR data from different studies, we suggest validated sample preparation guidelines for human urine based on a stability study that evaluates effects of storage time and temperature, freeze-drying, and the presence of preservatives. The results indicated that human urine samples should be stored at or below -25 degrees C, as no changes in the 1H NMR fingerprints have been observed during storage at this temperature for 26 weeks. Formation of acetate, presumably due to microbial contamination, was occasionally observed in samples stored at 4 degrees C without addition of a preservative. Addition of a preserving agent is not mandatory provided that the samples are stored at -25 degrees C. Thus, no differences were observed between 1H NMR spectra of nonpreserved urines and urines with added sodium azide and stored at -25 degrees C, whereas the presence of sodium fluoride caused a shift of especially citrate resonances. Freeze-drying of urine and reconstitution in D2O at pH 7.4 resulted in the disappearance of the creatinine CH2 signal at delta 4.06 due to deuteration. A study evaluating the effects of phosphate buffer concentration on signal variability and assessment of the probability of citrate or creatinine resonances crossing bucket border (a boundary between adjacent integrated regions) led to the conclusion that a minimum buffer concentration of 0.3 M is adequate for normal urines used in this study. However, final buffer concentration of 1 M will be required for very concentrated urines.

Waste minimization in analytical chemistry through innovative sample preparation techniques

International Nuclear Information System (INIS)

Smith, L. L.

1998-01-01

water samples. In this SPME technique, a fused-silica fiber coated with a polymeric film is exposed to the sample, extraction is allowed to take place, and then the analytes are thermally desorbed for GC analysis. Unlike liquid-liquid extraction or solid-phase extraction, SPME consumes all of the extracted sample in the analysis, significantly reducing the required sample volume

Study of trace elements in milk by nuclear analytical techniques

International Nuclear Information System (INIS)

Gharib, A.; Rahimi, H.; Pyrovan, H.; Raoffi, N.J.; Taherpoor, H.

1985-01-01

This work is part of project with the IAEA in a coordinated program on 'Trace Elements in Human and Bio-environmental Systems' to evaluate their nutritional requierements, interrelations and the role of trace elements in health, metabolism, etc. Cow's milk is regarded to be one of the most important and most nutritious foodstuffs of mankind. Hence, as a first step, an elemental analysis for milk was carried out: a few samples of pasteurized milk and local samples were investigated for essential and toxic trace elements. The secondary aim of the project was the assessment of various analytical techniques involved. AAS, PIXE and NAA are presented here. The latter was applied both instrumentally and radiochemically. Although the results pertaining to the various methods employed are not in good agreement, there is, however, some justification to clarify this internal inconsistency. PIXE analysis is very fast and rather routine, but the technique for trace element analysis needs certain adaptations and improvement. (author)

A Systematic, Integrated Study on the Neuroprotective Effects of Hydroxysafflor Yellow A Revealed by H1 NMR-Based Metabonomics and the NF-κB Pathway

Directory of Open Access Journals (Sweden)

Yuanyan Liu

2013-01-01

Full Text Available Hydroxysafflor yellow A (HSYA is the main active component of the Chinese herb Carthamus tinctorius L.. Purified HSYA is used as a neuroprotective agent to prevent cerebral ischemia. Injectable safflor yellow (50 mg, containing 35 mg HSYA is widely used to treat patients with ischemic cardiocerebrovascular disease. However, it is unknown how HSYA exerts a protective effect on cerebral ischemia at the molecular level. A systematical integrated study, including histopathological examination, neurological evaluation, blood-brain barrier (BBB, metabonomics, and the nuclear factor-κB (NF-κB pathway, was applied to elucidate the pathophysiological mechanisms of HSYA neuroprotection at the molecular level. HSYA could travel across the BBB, significantly reducing the infarct volume and improving the neurological functions of rats with ischemia. Treatment with HSYA could lead to relative corrections of the impaired metabolic pathways through energy metabolism disruption, excitatory amino acid toxicity, oxidative stress, and membrane disruption revealed by 1H NMR-based metabonomics. Meanwhile, HSYA treatment inhibits the NF-κB pathway via suppressing proinflammatory cytokine expression and p65 translocation and binding activity while upregulating an anti-inflammatory cytokine.

Analytical techniques for the determination of radiochemical purity of radiopharmaceuticals prepared from kits. Pt. III

International Nuclear Information System (INIS)

McLean, J.R.; Rockwell, L.J.; Welsh, W.J.

1982-01-01

The evaluation of efficacy of commercially available kits used for the preparation of radiopharmaceuticals is one aspect of the Radiation Protection Bureau's radiopharmaceutical quality control program. This report describes some of the analytical methodology employed in the program. The techniques may be of interest to hospital radiopharmacy personnel since many of the tests can be performed rapidly and with a minimum of special equipment, thus enabling the confirmation of radiopharmaceutical purity prior to patient administration. Manufacturers of kits may also be interested in learning of the analytical methods used in the assessment of their products

Applications of nuclear analytical techniques to environmental studies

International Nuclear Information System (INIS)

Freitas, M.C.; Marques, A.P.; Reis, M.A.; Pacheco, A.M.G.; Barros, L.I.C.

2001-01-01

A few examples of application of nuclear-analytical techniques to biological monitors - natives and transplants - are given herein. Parmelia sulcata Taylor transplants were set up in a heavily industrialized area of Portugal - the Setubal peninsula, about 50 km south of Lisbon - where indigenous lichens are rare. The whole area was 10x15 km around an oil-fired power station, and a 2.5x2.5 km grid was used. In north-western Portugal, native thalli of the same epiphytes (Parmelia spp., mostly Parmelia sulcata Taylor) and bark from olive trees (Olea europaea) were sampled across an area of 50x50 km, using a 10x10 km grid. This area is densely populated and features a blend of rural, urban-industrial and coastal environments, together with the country's second-largest metro area (Porto). All biomonitors have been analyzed by INAA and PIXE. Results were put through nonparametric tests and factor analysis for trend significance and emission sources, respectively

NMR-based metabonomic study of the sub-acute toxicity of titanium dioxide nanoparticles in rats after oral administration

Energy Technology Data Exchange (ETDEWEB)

Bu Qian; Lin Hongjun; Xu Youzhi; Cao Zhixing; Zhou Tian; Zhao Yinglan [State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Chengdu 610041 (China); Yan Guangyan; Cen Xiaobo [National Chengdu Center for Safety Evaluation of Drugs, State Key Laboratory of Biotherapy, West China Hospital, West China Medical School, Sichuan University, Chengdu 610041 (China); Deng Pengchi [Analytical and Testing Center, Sichuan University, Chengdu 610041 (China); Peng Feng [Department of Thoracic Oncology of Cancer Center and State Key Laboratory of Biotherapy, West China Hospital, West China Medical School, Sichuan University, Chengdu 610041 (China); Xue Aiqin [Institute of Bioengineering, Zhejiang Sci-Tech University Road 2, Xiasha, Hangzhou 310018 (China); Wang Yanli, E-mail: alancenxb@sina.com [Tianjin Children' s Hospital, Tianjin 300074 (China)

2010-03-26

As titanium dioxide nanoparticles (TiO{sub 2} NPs) are widely used commercially, their potential toxicity on human health has attracted particular attention. In the present study, the oral toxicological effects of TiO{sub 2} NPs (dosed at 0.16, 0.4 and 1 g kg{sup -1}, respectively) were investigated using conventional approaches and metabonomic analysis in Wistar rats. Serum chemistry, hematology and histopathology examinations were performed. The urine and serum were investigated by {sup 1}H nuclear magnetic resonance (NMR) using principal components and partial least squares discriminant analysis. The metabolic signature of urinalysis in TiO{sub 2} NP-treated rats showed increases in the levels of taurine, citrate, hippurate, histidine, trimethylamine-N-oxide (TMAO), citrulline, {alpha}-ketoglutarate, phenylacetylglycine (PAG) and acetate; moreover, decreases in the levels of lactate, betaine, methionine, threonine, pyruvate, 3-D-hydroxybutyrate (3-D-HB), choline and leucine were observed. The metabonomics analysis of serum showed increases in TMAO, choline, creatine, phosphocholine and 3-D-HB as well as decreases in glutamine, pyruvate, glutamate, acetoacetate, glutathione and methionine after TiO{sub 2} NP treatment. Aspartate aminotransferase (AST), creatine kinase (CK) and lactate dehydrogenase (LDH) were elevated and mitochondrial swelling in heart tissue was observed in TiO{sub 2} NP-treated rats. These findings indicate that disturbances in energy and amino acid metabolism and the gut microflora environment may be attributable to the slight injury to the liver and heart caused by TiO{sub 2} NPs. Moreover, the NMR-based metabolomic approach is a reliable and sensitive method to study the biochemical effects of nanomaterials.

Combined metabonomic and quantitative real-time PCR analyses reveal systems metabolic changes in Jurkat T-cells treated with HIV-1 Tat protein.

Science.gov (United States)

Liao, Wenting; Tan, Guangguo; Zhu, Zhenyu; Chen, Qiuli; Lou, Ziyang; Dong, Xin; Zhang, Wei; Pan, Wei; Chai, Yifeng

2012-11-02

HIV-1 Tat protein is released by infected cells and can affect bystander uninfected T cells and induce numerous biological responses which contribute to its pathogenesis. To elucidate the complex pathogenic mechanism, we conducted a comprehensive investigation on Tat protein-related extracellular and intracellular metabolic changes in Jurkat T-cells using combined gas chromatography-mass spectrometry (GC-MS), reversed-phase liquid chromatography-mass spectrometry (RPLC-MS) and a hydrophilic interaction liquid chromatography-mass spectrometry (HILIC-MS)-based metabonomics approach. Quantitative real-time PCR (qRT-PCR) analyses were further employed to measure expressions of several relevant enzymes together with perturbed metabolic pathways. Combined metabonomic and qRT-PCR analyses revealed that HIV-1 Tat caused significant and comprehensive metabolic changes, as represented by significant changes of 37 metabolites and 10 relevant enzymes in HIV-1 Tat-treated cells. Using MetaboAnalyst 2.0, it was found that 11 pathways (Impact-value >0.10) among the regulated pathways were acutely perturbed, including sphingolipid metabolism, glycine, serine and threonine metabolism, pyruvate metabolism, inositol phosphate metabolism, arginine and proline metabolism, citrate cycle, phenylalanine metabolism, tryptophan metabolism, pentose phosphate pathway, glycerophospholipid metabolism, glycolysis or gluconeogenesis. These results provide metabolic evidence of the complex pathogenic mechanism of HIV-1 Tat protein as a "viral toxin", and would help obligate Tat protein as "an important target" for therapeutic intervention and vaccine development.

Development of analytical techniques for water and environmental samples (2)

Energy Technology Data Exchange (ETDEWEB)

Eum, Chul Hun; Jeon, Chi Wan; Jung, Kang Sup; Song, Kyung Sun; Kim, Sang Yeon [Korea Institute of Geology Mining and Materials, Taejon (Korea)

1998-12-01

The purpose of this study is to develop new analytical methods with good detection limit for toxic inorganic and organic compounds. The analyses of CN, organic acids, particulate materials in environmental samples have been done using several methods such as Ion Chromatography, SPE, SPME, GC/MS, GC/FID, SPLITT (split-flow thin cell fractionation) during the second year of this project. Advantage and disadvantage of several distillation method (by KS, JIS, EPA) for CN analysis in wastewater were investigated. As the results, we proposed new distillation apparatus for CN analysis, which was proved to be simpler, faster and to get better recovery than conventional apparatus. And ion chromatograph/pulsed amperometric detector (IC/PAD) system instead of colorimetry for CN detection was setup to solve matrix interference. And SPE(solid phase extraction) and SPME (solid phase micro extraction) as liquid-solid extraction technique were applied to the analysis of phenols in wastewater. Optimum experimental conditions and factors influencing analytical results were determined. From these results, It could be concluded that C{sub 18} cartridge and polystyrene-divinylbenzene disk in SPE method, polyacrylate fiber in SPME were proper solid phase adsorbent for phenol. Optimum conditions to analyze phenol derivatives simultaneously were established. Also, Continuous SPLITT (Split-flow thin cell) Fractionation (CSF) is a new preparative separation technique that is useful for fractionation of particulate and macromolecular materials. CSF is carried out in a thin ribbon-like channel equipped with two splitters at both inlet and outlet of the channel. In this work, we set up a new CSF system, and tested using polystyrene latex standard particles. And then we fractionated particles contained in air and underground water based on their sedimentation coefficients using CSF. (author). 27 refs., 13 tabs., 31 figs.

Analytical and numerical techniques for predicting the interfacial stresses of wavy carbon nanotube/polymer composites

NARCIS (Netherlands)

Yazdchi, K.; Salehi, M.; Shokrieh, M.M.

2009-01-01

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,

Impact of accelerator-based analytical techniques on the knowledge and conservation of cultural heritage

International Nuclear Information System (INIS)

Dran, Jean Claude

2001-01-01

A large set of modern analytical techniques is currently applied to get a better insight on art and archaeological objects as well as to contribute to their conservation and restoration. Because of the precious and sometimes unique character of the works, non-destructive techniques and even those requiring no (or only minute) sampling, are preferred. From this standpoint, ion beam analysis (IBA) constitutes one of the best choices, since it combines quite good analytical performance and non-destructiveness. For over 10 years, an IBA facility has been installed in the Research Laboratory of the Museums of France. Until now it is the only facility of this kind entirely devoted to the study of cultural heritage. A special set-up, namely an external beam line, has been developed which permits the in-air analysis of large or fragile works of art without sampling. This facility is used for both short investigations at the request of museum curators and extensive research works in art history and archaeology. Numerous examples will be given to highlight the impact of this tool on cultural heritage. (author)

New Methodology for Known Metabolite Identification in Metabonomics/Metabolomics: Topological Metabolite Identification Carbon Efficiency (tMICE).

Science.gov (United States)

Sanchon-Lopez, Beatriz; Everett, Jeremy R

2016-09-02

A new, simple-to-implement and quantitative approach to assessing the confidence in NMR-based identification of known metabolites is introduced. The approach is based on a topological analysis of metabolite identification information available from NMR spectroscopy studies and is a development of the metabolite identification carbon efficiency (MICE) method. New topological metabolite identification indices are introduced, analyzed, and proposed for general use, including topological metabolite identification carbon efficiency (tMICE). Because known metabolite identification is one of the key bottlenecks in either NMR-spectroscopy- or mass spectrometry-based metabonomics/metabolomics studies, and given the fact that there is no current consensus on how to assess metabolite identification confidence, it is hoped that these new approaches and the topological indices will find utility.

Yuanhuapine-induced intestinal and hepatotoxicity were correlated with disturbance of amino acids, lipids, carbohydrate metabolism and gut microflora function: A rat urine metabonomic study.

Science.gov (United States)

Chen, Yanyan; Duan, Jin-Ao; Guo, Jianming; Shang, Erxin; Tang, Yuping; Qian, Yefei; Tao, Weiwei; Liu, Pei

2016-07-15

This research was designed to study metabonomic characteristics of the toxicity induced by yuanhuapine, a major bioactive diterpenoid in a well-known traditional Chinese medicine-Genkwa Flos. General observation, blood biochemistry and histopathological examination were used to reflect yuanhuapine-induced toxicity. Urine samples from rats in control and yuanhuapine treated rats were analyzed by ultra-performance liquid chromatography tandem quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS). Pattern recognition methods including principal components analysis (PCA), partial least-squared discriminant analysis (PLS-DA), orthogonal partial least-squared discriminant analysis (OPLS-DA) and computational system analysis were integrated to obtain comprehensive metabonomic profiling and pathways of the biological data sets. The results suggested that yuanhuapine could induce intestinal and liver damage. And 14 endogenous metabolites as biomarkers related to the amino acids metabolism, lipids metabolism, carbohydrate metabolism and gut microflora were significantly changed in the urine of yuanhuapine treated rats, which were firstly constructed the metabolomic feature profiling and metabolite interaction network of yuanhuapine-induced injury using pattern recognition methods and Ingenuity Pathway Analysis (IPA) approach. The present study showed that yuanhuapine-induced intestinal and hepatic toxicity were correlated with disturbance of amino acids metabolism, lipids metabolism, carbohydrate metabolism and gut microflora. Copyright © 2015 Elsevier B.V. All rights reserved.

Macro elemental analysis of food samples by nuclear analytical technique

Science.gov (United States)

Syahfitri, W. Y. N.; Kurniawati, S.; Adventini, N.; Damastuti, E.; Lestiani, D. D.

2017-06-01

Energy-dispersive X-ray fluorescence (EDXRF) spectrometry is a non-destructive, rapid, multi elemental, accurate, and environment friendly analysis compared with other detection methods. Thus, EDXRF spectrometry is applicable for food inspection. The macro elements calcium and potassium constitute important nutrients required by the human body for optimal physiological functions. Therefore, the determination of Ca and K content in various foods needs to be done. The aim of this work is to demonstrate the applicability of EDXRF for food analysis. The analytical performance of non-destructive EDXRF was compared with other analytical techniques; neutron activation analysis and atomic absorption spectrometry. Comparison of methods performed as cross checking results of the analysis and to overcome the limitations of the three methods. Analysis results showed that Ca found in food using EDXRF and AAS were not significantly different with p-value 0.9687, whereas p-value of K between EDXRF and NAA is 0.6575. The correlation between those results was also examined. The Pearson correlations for Ca and K were 0.9871 and 0.9558, respectively. Method validation using SRM NIST 1548a Typical Diet was also applied. The results showed good agreement between methods; therefore EDXRF method can be used as an alternative method for the determination of Ca and K in food samples.

A REVIEW ON THE ANALYTICAL TECHNIQUES USED FOR THE DETERMINATION OF PARACETAMOL IN PHARMACEUTICAL FORMULATIONS AND BIOLOGICAL FLUIDS

Directory of Open Access Journals (Sweden)

Aisha Noreen

2016-12-01

Full Text Available Paracetamol (PM is an active metabolite of phenacetin and belongs to p-aminophenol derivatives. It is also termed as acetaminophen. PM is one of the non-steroidal anti-inflammatory drugs (NSAIDs which is used as an analgesic and antipyretic agent. It is an OTC drug and is used as a common household analgesic. It is not used as a substitute of aspirin or any other NSAIDs. It is a weak cyclooxygenase (COX 1 and 2 inhibitor but may inhibit COX-3 in the central nervous system. Many analytical techniques have been used for the assay of PM in pharmaceutical preparations and biological fluids. These techniques include spectrometry, chromatography, spectrofluorimetry, chemiluminescence, electrochemical techniques, flow injection spectrometry and chronoamperometry. In many pharmaceutical preparations PM is also used in combination with other drugs and these techniques have also been used for their simultaneous determination. A detailed review of various analytical techniques used for the assay of PM has been carried out which would be of great help to the chemists and pharmacists involved in the analysis and quality control of drugs.

Application gives the technique the analytic tree in the evaluation the effectiveness programs to radiological protection

International Nuclear Information System (INIS)

Perez Gonzalez, F.; Perez Velazquez, R.S.; Fornet Rodriguez, O.; Mustelier Hechevarria, A.; Miller Clemente, A.

1998-01-01

In the work we develop the IAEA recommendations in the application the analytic tree as instrument for the evaluation the effectiveness the occupational radiological protection programs. Is reflected like it has been assimilated and converted that technique in daily work istruments in the evaluation process the security conditions in the institutions that apply the nuclear techniques with a view to its autorization on the part of the regulatory organ

NMR-based metabonomic studies reveal changes in the biochemical profile of plasma and urine from pigs fed high fibre rye bread

DEFF Research Database (Denmark)

Bertram, Hanne C.; Bach Knudsen, Knud E.; Serena, Anja

2006-01-01

This study presents an NMR-based metabonomic approach to elucidate the overall endogenous biochemical effects of a wholegrain diet. Two diets with similar levels of dietary fibre and macronutrients, but with contrasting levels of wholegrain ingredients, were prepared from wholegrain rye (wholegrain...... diet (WGD)) and non-wholegrain wheat (non-wholegrain diet (NWD)) and fed to four pigs in a crossover design. Plasma samples were collected after 7 d on each diet, and 1H NMR spectra were acquired on these. Partial least squares regression discriminant analysis (PLS-DA) on spectra obtained for plasma...

Combination of ¹H NMR- and GC-MS-based metabonomics to study on the toxicity of Coptidis Rhizome in rats.

Directory of Open Access Journals (Sweden)

Yuting Zhou

Full Text Available BACKGROUND: Coptidis Rhizome (CR, widely applied to treat with heat and toxicity, is one of the most commonly used traditional Chinese medicine (TCM, however, an extensive dosage can induce toxicity. Diarrhea is one of the most frequent side effects of CR treatment. METHODOLOGY/PRINCIPAL FINDINGS: In this study, metabonomics was combined with the multivariate statistical analysis to discover the endogenous metabolites which related to the diarrheal induced by CR. The male Sprague-Dawley rats were dosed with 4.95 g CR/kg weight. Urine samples were collected at day -1 (before treatment, and days 14 and 21 for NMR analysis. Serum and tissues were collected at day 14 for GC-MS analysis and histopathological examination, respectively. The urine and serum metabolic profiles provided clearer distinction between CR-treated group and control group, which was confirmed by body weight change and diarrhea. Through multivariate statistical analysis, 12 marker metabolites from ¹H NMR and 8 ones from GC-MS have been found. Among those metabolites, hippurate, acetate, alanine, glycine and glutamate are likely to break the balance of gut microbiota, whereas, lactate and 2-ketoisovalerate showed association with energy metabolism. Meanwhile, we observed that the CR-induced toxicity will recover when the treatment was stopped. CONCLUSIONS/SIGNIFICANCE: These results suggest that the main reason for the CR-associated diarrhea might be disturbance in the normal gut microbiota. This metabonomics approach may provide an effective way to study the alteration of gut microbiota, which is expected to find broader application in other drug-induced gastrointestinal reaction assessment.

A pirólise como técnica analítica Pyrolysis as an analytical technique

Directory of Open Access Journals (Sweden)

Flaviano Oliveira Silvério

2008-01-01

Full Text Available In this paper historical aspects of analytical pyrolysis, the equipment used, the fundamentals and the mechanisms of pyrolysis of different polymeric materials are discussed. The latest work on analytical pyrolysis applied to various types of synthetic and natural samples is reviewed. Current applications of this technique that are discussed include identification of microorganisms, analysis of trace compounds by forensic laboratories, investigation of food and agricultural products, study of the chemical composition of wood, authentication and conservation of artworks, and the study of environmental and geochemical samples.

Comparison between energy dispersive X-ray fluorescence and other nuclear analytical techniques in mineral exploration and mining

International Nuclear Information System (INIS)

Clayton, C.G.; Packer, T.W.; Wormald, M.R.

1979-01-01

At the present time there is an increasing awareness of the value and need for in-situ analytical methods throughout the general area of mineral exploration and mining. Of the alternative techniques, the measurement of natural gamma radiation is well established for uranium exploration and it is now being developed for sea-bed and lake-bed surveying. Energy dispersive X-ray fluorescence equipment is becoming more generally accepted, especially for mine control. Neutron techniques, for so long used routinely in oil well logging, are now being developed for a wide range of applications in all aspects of exploration and mining. It is believed that these techniques will result in major applications in the future. The present paper compares the principal characteristics of energy dispersive X-ray fluorescence and neutron techniques in particular, with special emphasis being given to those factors which affect the accuracy of analytical content; such as elemental resolution, matrix effects, material heterogeneity and neutron transport. A generalised comparison between the techniques is difficult to achieve because of the different nature of radiation interactions, but a range of applications is described and these show the complementary nature of the methods and point to the areas for more active development in the future. (author)

Nuclear analytical techniques applied to characterization of atmospheric aerosols in Amazon Region

International Nuclear Information System (INIS)

Gerab, Fabio; Artaxo, Paulo

1996-01-01

This work presents the atmospheric aerosols characterization that exist in different regions of Amazon basin. The biogenic aerosol emission by forest, as well as the atmospheric emissions of particulate materials due to biomass burning, were analyzed. Samples of aerosol particles were collected during three years in two different locations of Amazon region using Stacked Unit Filters. In order to study these samples some analytical nuclear techniques were used. The high concentrations of aerosols as a result of biomass burning process were observed in the period of june-september

Tracking of Nuclear Production using Indigenous Species: Final LDRD Report

International Nuclear Information System (INIS)

Alam, Todd Michael; Alam, Mary Kathleen; McIntyre, Sarah K.; Volk, David; Neerathilingam, Muniasamy; Luxon, Bruce A.; Ansari, G. A. Shakeel

2009-01-01

Our LDRD research project sought to develop an analytical method for detection of chemicals used in nuclear materials processing. Our approach is distinctly different than current research involving hardware-based sensors. By utilizing the response of indigenous species of plants and/or animals surrounding (or within) a nuclear processing facility, we propose tracking 'suspicious molecules' relevant to nuclear materials processing. As proof of concept, we have examined TBP, tributylphosphate, used in uranium enrichment as well as plutonium extraction from spent nuclear fuels. We will compare TBP to the TPP (triphenylphosphate) analog to determine the uniqueness of the metabonomic response. We show that there is a unique metabonomic response within our animal model to TBP. The TBP signature can further be delineated from that of TPP. We have also developed unique methods of instrumental transfer for metabonomic data sets.

Tracking of Nuclear Production using Indigenous Species: Final LDRD Report

Energy Technology Data Exchange (ETDEWEB)

Alam, Todd Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Dept. of Electronic and Nanostructured Materials; Alam, Mary Kathleen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Energetics Characterization Dept.; McIntyre, Sarah K. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Dept. of Electronic and Nanostructured Materials; Volk, David [Univ. of Texas, Galveston, TX (United States). Medical Branch; Neerathilingam, Muniasamy [Univ. of Texas, Galveston, TX (United States). Medical Branch; Luxon, Bruce A. [Univ. of Texas, Galveston, TX (United States). Medical Branch; Ansari, G. A. Shakeel [Univ. of Texas, Galveston, TX (United States). Medical Branch

2009-10-01

Our LDRD research project sought to develop an analytical method for detection of chemicals used in nuclear materials processing. Our approach is distinctly different than current research involving hardware-based sensors. By utilizing the response of indigenous species of plants and/or animals surrounding (or within) a nuclear processing facility, we propose tracking 'suspicious molecules' relevant to nuclear materials processing. As proof of concept, we have examined TBP, tributylphosphate, used in uranium enrichment as well as plutonium extraction from spent nuclear fuels. We will compare TBP to the TPP (triphenylphosphate) analog to determine the uniqueness of the metabonomic response. We show that there is a unique metabonomic response within our animal model to TBP. The TBP signature can further be delineated from that of TPP. We have also developed unique methods of instrumental transfer for metabonomic data sets.

Analytical Techniques in the Pharmaceutical Sciences

DEFF Research Database (Denmark)

Leurs, Ulrike; Mistarz, Ulrik Hvid; Rand, Kasper Dyrberg

2016-01-01

Mass spectrometry (MS) offers the capability to identify, characterize and quantify a target molecule in a complex sample matrix and has developed into a premier analytical tool in drug development science. Through specific MS-based workflows including customized sample preparation, coupling...

Study of trace elements in milk by nuclear analytical techniques

Energy Technology Data Exchange (ETDEWEB)

Gharib, A.; Rahimi, H.; Peyrovan, H.; Raofei, H.N.J.; Taherpour, H. (Atomic Energy Organization of Iran, Teheran. Nuclear Research Centre)

This work is part of a project with the IAEA, in a coordinated programme on ''trace elements in Human Nutrition and Bio-Environmental Systems'' to evaluate their nutritional requirements, interrelations and the role of trace elements in health, metabolism etc. Cow's milk is regarded as one of the most important and nutritious foodstuffs consumed by people. Hence, as a first step, an elemental analysis for milk was carried out for this purpose so a few samples of pasteurized milk and local samples were investigated for essential and toxic trace elements. The secondary aim of this project was the assessment of various analytical techniques involved. However, in the present work, the methods involved were AAS, PIXE and NAA. The latter method applied, both instrumentally and radiochemically. Although the results pertaining to the various methods employed are not in good agreement, there is however, some justification to clarify this internal inconsistency. The precision for NAA and AAS allows greater degree of acceptance respectively. Although PIXE is very fast and rather routine, the technique of trace element analysis needs certain adaptations and developments.

Liquid chromatography and ultra-performance liquid chromatography-mass spectrometry fingerprinting of human urine: sample stability under different handling and storage conditions for metabonomics studies.

Science.gov (United States)

Gika, Helen G; Theodoridis, Georgios A; Wilson, Ian D

2008-05-02

Typically following collection biological samples are kept in a freezer for periods ranging from a few days to several months before analysis. Experience has shown that in LC-MS-based metabonomics research the best analytical practice is to store samples as these are collected, complete the sample set and analyse it in a single run. However, this approach is prudent only if the samples stored in the refrigerator or in the freezer are stable. Another important issue is the stability of the samples following the freeze-thaw process. To investigate these matters urine samples were collected from 6 male volunteers and analysed by LC-MS and ultra-performance liquid chromatography (UPLC)-MS [in both positive and negative electrospray ionization (ESI)] on the day of collection or at intervals of up to 6 months storage at -20 degrees C and -80 degrees C. Other sets of these samples underwent a series of up to nine freeze-thaw cycles. The stability of samples kept at 4 degrees C in an autosampler for up to 6 days was also assessed, with clear differences appearing after 48h. Data was analysed using multivariate statistical analysis (principal component analysis). The results show that sample storage at both -20 and -80 degrees C appeared to ensure sample stability. Similarly up to nine freeze thaw cycles were without any apparent effect on the profile.

Windowed direct exponential curve resolution quantification of nuclear magnetic resonance spectroscopy with applications to amniotic fluid metabonomics

International Nuclear Information System (INIS)

Botros, L.L.

2007-01-01

This thesis presents a quantitative protocol of proton nuclear magnetic resonance ( 1 H NMR) that allows the determination of human amniotic fluid metabolite concentrations, which are then used in a metabonomic study to establish patient health during gestation. 1 H NMR free inductive decays (FIDs) of 258 human amniotic fluid samples from a 500MHz spectrometer are acquired. Quantitative analyses methods in both the frequency- and time-domain are carried out and compared. Frequency-domain analysis is accomplished by integration of the metabolite peaks before and after the inclusion of a known standard addition of alanine. Time-domain analysis is accomplished by the direct exponential curve resolution algorithm (DECRA). Both techniques are assessed by applications to calibration biological solutions and a simulated data set. The DECRA method proves to be a more accurate and precise route for quantitative analysis, and is included in the developed protocol. Well-defined peaks of various components are visible in the frequency-domain 1 H NMR spectra, including lactate, alanine, acetate, citrate, choline, glycine, and glucose. All are quantified with the proposed protocol. Statistical t-test and notched box and whisker plots are used to compare means of metabolite concentrations for diabetic and normal patients. Glucose, glycine, and choline are all found to correlate with gestational diabetes mellitus early in gestation. With further development, time-domain quantitative 1 H NMR has potential to become a robust diagnostic tool for gestational health. (author)

Windowed direct exponential curve resolution quantification of nuclear magnetic resonance spectroscopy with applications to amniotic fluid metabonomics

Energy Technology Data Exchange (ETDEWEB)

Botros, L.L

2007-07-01

This thesis presents a quantitative protocol of proton nuclear magnetic resonance ({sup 1}H NMR) that allows the determination of human amniotic fluid metabolite concentrations, which are then used in a metabonomic study to establish patient health during gestation. {sup 1}H NMR free inductive decays (FIDs) of 258 human amniotic fluid samples from a 500MHz spectrometer are acquired. Quantitative analyses methods in both the frequency- and time-domain are carried out and compared. Frequency-domain analysis is accomplished by integration of the metabolite peaks before and after the inclusion of a known standard addition of alanine. Time-domain analysis is accomplished by the direct exponential curve resolution algorithm (DECRA). Both techniques are assessed by applications to calibration biological solutions and a simulated data set. The DECRA method proves to be a more accurate and precise route for quantitative analysis, and is included in the developed protocol. Well-defined peaks of various components are visible in the frequency-domain {sup 1}H NMR spectra, including lactate, alanine, acetate, citrate, choline, glycine, and glucose. All are quantified with the proposed protocol. Statistical t-test and notched box and whisker plots are used to compare means of metabolite concentrations for diabetic and normal patients. Glucose, glycine, and choline are all found to correlate with gestational diabetes mellitus early in gestation. With further development, time-domain quantitative {sup 1}H NMR has potential to become a robust diagnostic tool for gestational health. (author)

Use of nuclear and related analytical techniques in environmental research as exemplified by selected air pollution studies

International Nuclear Information System (INIS)

Smodis, B.; Jacimovic, R.; Jeran, Z.; Stropnik, B.; Svetina, M.

2000-01-01

Among nuclear and nuclear related analytical techniques, neutron activation analysis and X-ray fluorescence spectrometry proved to be particularly useful for environmental studies owing to their nondestructive character and multi element capability. This paper emphasizes their importance among other multielement analytical methods by discussing their specific role due to specific physics basis, quite different to other destructive non-nuclear methods, and by summarizing results obtained in several studies related to air pollution research, including analyses of airborne particulate matter, water samples, lichens and mosses. (author)

Study of a novel indolin-2-ketone compound Z24 induced hepatotoxicity by NMR-spectroscopy-based metabonomics of rat urine, blood plasma, and liver extracts

International Nuclear Information System (INIS)

Wang Quanjun; Jiang Ying; Wu Chunqi; Zhao Jianyu; Yu Shouzhong; Yuan Benli; Yan Xianzhong; Liao Mingyang

2006-01-01

Antiangiogenic compound has been believed to be an ideal drug in the current cancer biological therapy, but the angiogenesis inhibitors suffer setback for unknown toxicity now. A novel synthetic indolin-s-ketone small molecular compound, 3Z-3-[( 1 H-pyrrol-2-yl)-methylidene]-1-(1-piperidinylmethyl)-1,3-2H-indol-2-one (Z24) can inhibit angiogenesis in new blood vessels. The hepatotoxicity effects of Z24 oral administration (dosed at 60, 130 and 200 mg/kg) have been investigated in female Wistar rats by using metabonomic analysis of 1 H NMR spectra of urine, plasma and liver extracts, as well as by clinical chemistry analysis, liver histopathology and electron micrographs examination. The 1 H NMR spectra of the biofluids were analyzed visually and via pattern recognition by using principal component analysis. The metabonomic trajectory analysis on the time-related hepatotoxicity of Z24 was carried out based on the 1 H NMR spectra of urine samples, which were collected daily predose and postdose over an 8-day period. Urinary excretion of citrate, lactate, 2-oxo-glutarate and succinate increased following Z24 dosing. Increased plasma levels of lactate, TMAO and lipid were observed, with concomitant decrease in the level of glucose and phosphatidylcholine. Metabolic profiling on aqueous soluble extracts of liver tissues with the high dose level of Z24 showed an increase in lactate and glutamine, together with a decrease in glucose, glycogen and choline. On the other hand, studies on lipid soluble extracts of liver tissues with the high dose level of Z24 showed increased level in lipid triglycerides and decreased level in unsaturated fatty acids and phosphatidylcholine. Moreover, the most notable effect of Z24 on the metabolism was the reduction in the urinary levels of creatinine and TMAO and the increase in acetate, citrate, succinate and 2-oxo-glutamate with time dependence. The results indicate that in rats Z24 inhibits mitochondrial function through altering the

Magic Angle Spinning NMR Metabolomics

Energy Technology Data Exchange (ETDEWEB)

Zhi Hu, Jian

2016-01-01

Nuclear Magnetic Resonance (NMR) spectroscopy is a non-destructive, quantitative, reproducible, untargeted and unbiased method that requires no or minimal sample preparation, and is one of the leading analytical tools for metabonomics research [1-3]. The easy quantification and the no need of prior knowledge about compounds present in a sample associated with NMR are advantageous over other techniques [1,4]. 1H NMR is especially attractive because protons are present in virtually all metabolites and its NMR sensitivity is high, enabling the simultaneous identification and monitoring of a wide range of low molecular weight metabolites.

Di(2-ethylhexyl)phthalate Alters the Synthesis and β-Oxidation of Fatty Acids and Hinders ATP Supply in Mouse Testes via UPLC-Q-Exactive Orbitrap MS-Based Metabonomics Study.

Science.gov (United States)

Shen, Guolin; Zhou, Lili; Liu, Wei; Cui, Yuan; Xie, Wenping; Chen, Huiming; Yu, Wenlian; Li, Wentao; Li, Haishan

2017-06-21

Di(2-ethylhexyl) phthalate (DEHP) is considered to be an environmental endocrine disruptor at high levels of general exposure. Studies show that DEHP may cause testicular toxicity on human being. In this study, metabonomics techniques were used to identify differential endogenous metabolites, draw the network metabolic pathways, and conduct network analysis, to determine the underlying mechanisms of testicular toxicity induced by DEHP. The results showed that DEHP inhibited synthesis and accelerated β-oxidation of fatty acids and impaired the tricarboxylic acid cycle (TCA cycle) and gluconeogenesis, resulting in lactic acid accumulation and an insufficient ATP supply in the microenvironment of the testis. These alterations led to testicular atrophy and, thus, may be the underlying causes of testicular toxicity. DEHP also inhibited peroxisome proliferator activated receptors in the testis, which may be another potential reason for the testicular atrophy. These findings provided new insights to better understand the mechanisms of testicular toxicity induced by DEHP exposure.

The study of trace elements in milk by nuclear analytical techniques

International Nuclear Information System (INIS)

Gharib, A.; Rahimi, H.; Peyrovan, H.; Raofei, H.N.J.; Taherpour, H.

1983-01-01

This work is part of a project with the IAEA, in a coordinated programme on ''Trace Elements in Human Nutrition and Bio-Environmental Systems'' to evaluate their nutritional requirements, interrelations and the role of Trace Elements in health, metabolism etc. Cow's milk being regarded as one of the most important and nutritious foodstuffs consumed by people. Hence as a first step, an elemental analysis for milk was carried out for this purpose so a few samples of pasteurized milk and local samples were investigated for essential and toxic trace elements. The secondary aim of this project was the assessment of various analytical techniques involved. However, in the present work, the methods involved were AAS, PIXE and NAA. The latter method applied, both instrumentally and radiochemically. Although the results pertaining to the various methods employed are not in good agreement, there is however, some justification to clarify this internal inconsistency. The precision for NAA and AAS allows greater degree of acceptance respectively. Although PIXE is a very fast and rather a routine but the technique of trace element analysis needs certain adaptations and developments

Hazardous Waste Landfill Siting using GIS Technique and Analytical Hierarchy Process

Directory of Open Access Journals (Sweden)

Ozeair Abessi

2010-07-01

Full Text Available Disposal of large amount of generated hazardous waste in power plants, has always received communities' and authori¬ties attentions. In this paper using site screening method and Analytical Hierarchy Process (AHP a sophisticated approach for siting hazardous waste landfill in large areas is presented. This approach demonstrates how the evaluation criteria such as physical, socio-economical, technical, environmental and their regulatory sub criteria can be introduced into an over layer technique to screen some limited appropriate zones in the area. Then, in order to find the optimal site amongst the primary screened site utilizing a Multiple Criteria Decision Making (MCDM method for hierarchy computations of the process is recommended. Using the introduced method an accurate siting procedure for environmental planning of the landfills in an area would be enabled. In the study this approach was utilized for disposal of hazardous wastes of Shahid Rajaee thermal power plant located in Qazvin province west central part of Iran. As a result of this study 10 suitable zones were screened in the area at first, then using analytical hierarchy process a site near the power plant were chosen as the optimal site for landfilling of the hazardous wastes in Qazvin province.

Twelfth ISAS national symposium on analytical techniques for safety and sufficiency of natural resources/products: technical papers

International Nuclear Information System (INIS)

Padmanabhan, P.K.; Page, A.G.

1997-02-01

This volume contains the proceedings of the ISAS (Indian Society of Analytical Scientists) national symposium. The main thrust of the symposium was on new fuel cycle technologies relevant to thorium utilisation programmes. The technologies for different separation processes, techniques for measurements of various process parameters and highly sensitive analytical methods for the determination of the chemical constituents were among the other topics covered. Quality upgradation, standardisation of methods and validation of measurements which are integral parts of product evaluation were also discussed. Papers relevant to INIS are indexed separately

Does leaf chemistry differentially affect breakdown in tropical vs temperate streams? Importance of standardized analytical techniques to measure leaf chemistry

Science.gov (United States)

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...

Pedestrian-vehicle crashes and analytical techniques for stratified contingency tables.

Science.gov (United States)

Al-Ghamdi, Ali S

2002-03-01

In 1999 there were 450 fatalities due to road crashes in Riyadh, the capital of Saudi Arabia, of which 130 were pedestrians. Hence, every fourth person killed on the roads is a pedestrian. The aim of this study is to investigate pedestrian-vehicle crashes in this fast-growing city with two objectives in mind: to analyze pedestrian collisions with regard to their causes, characteristics, location of injury on the victim's body, and most common patterns and to determine the potential for use of the odds ratio technique in the analysis of stratified contingency tables. Data from 638 pedestrian-vehicle crashes reported by police, during the period 1997-1999, were used. A systematic sampling technique was followed in which every third record was used. The analysis showed that the pedestrian fatality rate per 10(5) population is 2.8. The rates were relatively high within the childhood (1-9 years) and young adult (10-19 years) groups, and the old-age groups (60 - > 80 years), which indicate that young as well as the elderly people in this city are more likely to be involved in fatal accidents of this type than are those in other age groups. The analysis revealed that 77.1% of pedestrians were probably struck while crossing a roadway either not in a crosswalk or where no crosswalk existed. In addition, the distribution of injuries on the victims' bodies was determined from hospital records. More than one-third of the fatal injuries were located on the head and chest. An attempt was made to conduct an association analysis between crash severity (i.e. injury or fatal) and some of the study variables using chi-square and odds ratio techniques. The categorical nature of the data helped in using these analytical techniques.

An automated Pearson's correlation change classification (APC3) approach for GC/MS metabonomic data using total ion chromatograms (TICs).

Science.gov (United States)

Prakash, Bhaskaran David; Esuvaranathan, Kesavan; Ho, Paul C; Pasikanti, Kishore Kumar; Chan, Eric Chun Yong; Yap, Chun Wei

2013-05-21

A fully automated and computationally efficient Pearson's correlation change classification (APC3) approach is proposed and shown to have overall comparable performance with both an average accuracy and an average AUC of 0.89 ± 0.08 but is 3.9 to 7 times faster, easier to use and have low outlier susceptibility in contrast to other dimensional reduction and classification combinations using only the total ion chromatogram (TIC) intensities of GC/MS data. The use of only the TIC permits the possible application of APC3 to other metabonomic data such as LC/MS TICs or NMR spectra. A RapidMiner implementation is available for download at http://padel.nus.edu.sg/software/padelapc3.

A GC-MS Based Metabonomics Study of Rheumatoid Arthritis and the Interventional Effects of the Simiaowan in Rats.

Science.gov (United States)

Wang, Yuming; Guo, Xuejun; Xie, Jiabin; Hou, Zhiguo; Li, Yubo

2015-12-01

Simiaowan (SMW) is a famous Chinese prescription widely used in clinical treatment of rheumatoid arthritis (RA). The aim of the present study is to determine novel biomarkers to increase the current understanding of RA mechanisms, as well as the underlying therapeutic mechanism of SMW, in RA-model rats. Plasma extracts from control, RA model, and SMW-treated rats were analyzed by gas chromatography coupled with mass spectrometry (GC-MS). An orthogonal partial least-square discriminant analysis (OPLS-DA) model was created to detect metabolites that were expressed in significantly different amounts between the RA model and the control rats and investigate the therapeutic effect of SMW. Metabonomics may prove to be a valuable tool for determining the efficacy of complex traditional prescriptions.

A GC-MS Based Metabonomics Study of Rheumatoid Arthritis and the Interventional Effects of the Simiaowan in Rats

Directory of Open Access Journals (Sweden)

Yuming Wang

2015-12-01

Full Text Available Simiaowan (SMW is a famous Chinese prescription widely used in clinical treatment of rheumatoid arthritis (RA. The aim of the present study is to determine novel biomarkers to increase the current understanding of RA mechanisms, as well as the underlying therapeutic mechanism of SMW, in RA-model rats. Plasma extracts from control, RA model, and SMW-treated rats were analyzed by gas chromatography coupled with mass spectrometry (GC-MS. An orthogonal partial least-square discriminant analysis (OPLS-DA model was created to detect metabolites that were expressed in significantly different amounts between the RA model and the control rats and investigate the therapeutic effect of SMW. Metabonomics may prove to be a valuable tool for determining the efficacy of complex traditional prescriptions.

Application of multivariate techniques to analytical data on Aegean ceramics

International Nuclear Information System (INIS)

Bieber, A.M.; Brooks, D.W.; Harbottle, G.; Sayre, E.V.

1976-01-01

The general problems of data collection and handling for multivariate elemental analyses of ancient pottery are considered including such specific questions as the level of analytical precision required, the number and type of elements to be determined and the need for comprehensive multivariate statistical analysis of the collected data in contrast to element by element statistical analysis. The multivariate statistical procedures of clustering in a multidimensional space and determination of the numerical probabilities of specimens belonging to a group through calculation of the Mahalanobis distances for these specimens in multicomponent space are described together with supporting univariate statistical procedures used at Brookhaven. The application of these techniques to the data on Late Bronze Age Aegean pottery (largely previously analysed at Oxford and Brookhaven with some new specimens considered) have resulted in meaningful subdivisions of previously established groups. (author)

An alternative technique for the implementation of an analytical approximation for transients with temperature feedback

Energy Technology Data Exchange (ETDEWEB)

Palma, Daniel A.P. [Instituto Federal do Rio de Janeiro, Nilopolis, RJ (Brazil)], e-mail: dpalmaster@gmail.com; Silva, Adilson C. da; Goncalves, Alessandro C.; Martinez, Aquilino S. [Coordenacao dos Programas de Pos-graduacao de Engenharia (COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Programa de Engenharia Nuclear], e-mail: asilva@con.ufrj.br, e-mail: agoncalves@con.ufrj.br, e-mail: aquilino@lmp.ufrj.br

2009-07-01

The analytical solution of point kinetics equations with a group of delayed neutrons is useful in predicting neutron density variation during the operation of a nuclear reactor. Although different approximate solutions for the system of point kinetics equations with temperature feedback may be found in literature, some of them do not present an explicit dependence in time, which makes the computing implementation difficult and, as a result, its applicability in practical cases. The present paper uses the polynomial adjustment technique to overcome this problem in the analytical approximation as proposed by Nahla. In a systematic comparison with other existing approximations it is concluded that the method is adequate, presenting small deviations in relation to the reference values obtained from the reference numerical method. (author)

An alternative technique for the implementation of an analytical approximation for transients with temperature feedback

International Nuclear Information System (INIS)

Palma, Daniel A.P.; Silva, Adilson C. da; Goncalves, Alessandro C.; Martinez, Aquilino S.

2009-01-01

The analytical solution of point kinetics equations with a group of delayed neutrons is useful in predicting neutron density variation during the operation of a nuclear reactor. Although different approximate solutions for the system of point kinetics equations with temperature feedback may be found in literature, some of them do not present an explicit dependence in time, which makes the computing implementation difficult and, as a result, its applicability in practical cases. The present paper uses the polynomial adjustment technique to overcome this problem in the analytical approximation as proposed by Nahla. In a systematic comparison with other existing approximations it is concluded that the method is adequate, presenting small deviations in relation to the reference values obtained from the reference numerical method. (author)

A semiparametric modeling framework for potential biomarker discovery and the development of metabonomic profiles

Directory of Open Access Journals (Sweden)

Dey Dipak K

2008-01-01

Full Text Available Abstract Background The discovery of biomarkers is an important step towards the development of criteria for early diagnosis of disease status. Recently electrospray ionization (ESI and matrix assisted laser desorption (MALDI time-of-flight (TOF mass spectrometry have been used to identify biomarkers both in proteomics and metabonomics studies. Data sets generated from such studies are generally very large in size and thus require the use of sophisticated statistical techniques to glean useful information. Most recent attempts to process these types of data model each compound's intensity either discretely by positional (mass to charge ratio clustering or through each compounds' own intensity distribution. Traditionally data processing steps such as noise removal, background elimination and m/z alignment, are generally carried out separately resulting in unsatisfactory propagation of signals in the final model. Results In the present study a novel semi-parametric approach has been developed to distinguish urinary metabolic profiles in a group of traumatic patients from those of a control group consisting of normal individuals. Data sets obtained from the replicates of a single subject were used to develop a functional profile through Dirichlet mixture of beta distribution. This functional profile is flexible enough to accommodate variability of the instrument and the inherent variability of each individual, thus simultaneously addressing different sources of systematic error. To address instrument variability, all data sets were analyzed in replicate, an important issue ignored by most studies in the past. Different model comparisons were performed to select the best model for each subject. The m/z values in the window of the irregular pattern are then further recommended for possible biomarker discovery. Conclusion To the best of our knowledge this is the very first attempt to model the physical process behind the time-of flight mass

Urinary metabonomics study in a rat model in response to protein-energy malnutrition by using gas chromatography-mass spectrometry and liquid chromatography-mass spectrometry.

Science.gov (United States)

Wu, Zeming; Li, Min; Zhao, Chunxia; Zhou, Jia; Chang, Yuwei; Li, Xiang; Gao, Peng; Lu, Xin; Li, Yousheng; Xu, Guowang

2010-11-01

Systematic studies were performed on the biological perturbations in metabolic phenotype responding to protein-energy malnutrition through global metabolic profiling analysis, in combination with pattern recognition. The malnutrition rat model was established through five weeks of strict diet restriction, and the metabonome data obtained from gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS) were integrated to approximate the comprehensive metabolic signature. Principal component analysis and orthogonal projection to latent structure analysis were used for the classification of metabolic phenotypes and discovery of differentiating metabolites. The perturbations in the urine profiles of malnourished rats were marked by higher levels of creatine, threitol, pyroglutamic acid, gluconic acid and kynurenic acid, as well as decreased levels of succinic acid, cis-aconitic acid, citric acid, isocitric acid, threonic acid, trimethylglycine, N-methylnicotinic acid and uric acid. The alterations in these metabolites were associated with perturbations in energy metabolism, carbohydrate, amino acid, and fatty acid metabolism, purine metabolism, cofactor and vitamin metabolism, in response to protein and energy malnutrition. Our findings show the integration of GC-MS and LC-MS techniques for untargeted metabolic profiling analysis was promising for nutriology.

The earrings of Pancas treasure: Analytical study by X-ray based techniques – A first approach

International Nuclear Information System (INIS)

Tissot, I.; Tissot, M.; Manso, M.; Alves, L.C.; Barreiros, M.A.; Marcelo, T.; Carvalho, M.L.; Corregidor, V.; Guerra, M.F.

2013-01-01

The development of new metallurgical technologies in the Iberian Peninsula during the Iron Age is well represented by the 10 gold earrings from the treasure of Pancas. This work presents a first approach to the analytical study of these earrings and contributes to the construction of a typological evolution of the Iberian earrings. The manufacture techniques and the alloys composition were studied with three complementary X-ray spectroscopy techniques: portable EDXRF, μ-PIXE and SEM–EDS. The results were compared with earrings from the same and previous periods

Proceedings of the national seminar on recent developments in electro analytical techniques: souvenir and abstracts

International Nuclear Information System (INIS)

2012-01-01

In view of deliberations on 'Recent Developments in Electro Analytical Techniques' with special emphasis on batteries, fuel cells, biosensors, chemical sensors modified electrodes, nano electrodes, electrode synthesis and co-ordination compounds, go a long way in creating the necessary awareness and enthusiasm amongst students, young scholars and industrialists to lay their attention on the subject. Papers relevant to INIS are indexed separately

Beta Autoradiography. An analytical technique to investigate radionuclides contamination on surface

International Nuclear Information System (INIS)

Ficher, P.; Goutelard, F.; Siitari-Kauppi, M.

2012-01-01

In decommissioning of old buildings and after disposal of nuclear facilities (materials, glove boxes,...), the inventory of the radioactive contamination of various building materials needs to be obtained in order to fix the working condition for dismantling. The challenge of this study was to classify different building materials of a whole research laboratory that was dedicated to research on organic molecules labeled with H-3 and C-14. The problem of waste classification is essential for safety treatment of waste and also for its cost. The analytical technique of beta autoradiography particularly well known for biological researches has been tested to investigate radionuclides contamination on surface. This technique is mainly interesting for beta and alpha emitters but also sensitive to gamma radiation. The first step of this technique is the deposit of a film on the surface of material to be analyzed. Films can be deposited on the ground or also fixed on the walls or even on the ceiling. The film is a plastic sheet covered with an emulsion containing photostimulable crystals and Eu that is activated when the film is exposed on radioactive source. The exposed films are then scanned with the Cyclone Plus equipment to get a digitized image. This image represents the radioactivity of the surface studied. The possibility to re-use the films is very important to investigate a large area. This autoradiography technique has retained our attention for its sensitivity and moreover the possibility of 2-dimensional investigation has been found as a real advantage. However it remains now as a qualitative technique and new studies must be launched to prove its quantitative potentialities. The high spatial resolution was not as important as in biological observation, and the mm resolution is totally sufficient

Global host metabolic response to Plasmodium vivax infection: a 1H NMR based urinary metabonomic study

Directory of Open Access Journals (Sweden)

Sengupta Arjun

2011-12-01

Full Text Available Abstract Background Plasmodium vivax is responsible for the majority of malarial infection in the Indian subcontinent. This species of the parasite is generally believed to cause a relatively benign form of the disease. However, recent reports from different parts of the world indicate that vivax malaria can also have severe manifestation. Host response to the parasite invasion is thought to be an important factor in determining the severity of manifestation. In this paper, attempt was made to determine the host metabolic response associated with P. vivax infection by means of NMR spectroscopy-based metabonomic techniques in an attempt to better understand the disease pathology. Methods NMR spectroscopy of urine samples from P. vivax-infected patients, healthy individuals and non-malarial fever patients were carried out followed by multivariate statistical analysis. Two data analysis techniques were employed, namely, Principal Component Analysis [PCA] and Orthogonal Projection to Latent Structure Discriminant Analysis [OPLS-DA]. Several NMR signals from the urinary metabolites were further selected for univariate comparison among the classes. Results The urine metabolic profiles of P. vivax-infected patients were distinct from those of healthy individuals as well as of non-malarial fever patients. A highly predictive model was constructed from urine profile of malarial and non-malarial fever patients. Several metabolites were found to be varying significantly across these cohorts. Urinary ornithine seems to have the potential to be used as biomarkers of vivax malaria. An increasing trend in pipecolic acid was also observed. The results suggest impairment in the functioning of liver as well as impairment in urea cycle. Conclusions The results open up a possibility of non-invasive analysis and diagnosis of P. vivax using urine metabolic profile. Distinct variations in certain metabolites were recorded, and amongst these, ornithine may have the

Applied research on air pollution using nuclear-related analytical techniques. Report on the second research co-ordination meeting

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-07-01

A co-ordinated research programme (CRP) on applied research on air pollution using nuclear-related techniques is a global CRP which started in 1992, and is scheduled to run until early 1997. The purpose of this CRP is to promote the use of nuclear analytical techniques in air pollution studies, e.g. NAA, XRF, and PIXE for the analysis of toxic and other trace elements in air particulate matter. The main purposes of the core programme are i) to support the use of nuclear and nuclear-related analytical techniques for research and monitoring studies on air pollution, ii) to identify major sources of air pollution affecting each of the participating countries with particular reference to toxic heavy metals, and iii) to obtain comparative data on pollution levels in areas of high pollution (e.g. a city centre or a populated area downwind of a large pollution source) and low pollution (e.g. rural area). This document reports the discussions held during the second Research Co-ordination Meeting (RCM) for the CRP which took place at ANSTO in Menai, Australia. (author)

Applied research on air pollution using nuclear-related analytical techniques. Report on the second research co-ordination meeting

International Nuclear Information System (INIS)

1995-01-01

A co-ordinated research programme (CRP) on applied research on air pollution using nuclear-related techniques is a global CRP which started in 1992, and is scheduled to run until early 1997. The purpose of this CRP is to promote the use of nuclear analytical techniques in air pollution studies, e.g. NAA, XRF, and PIXE for the analysis of toxic and other trace elements in air particulate matter. The main purposes of the core programme are i) to support the use of nuclear and nuclear-related analytical techniques for research and monitoring studies on air pollution, ii) to identify major sources of air pollution affecting each of the participating countries with particular reference to toxic heavy metals, and iii) to obtain comparative data on pollution levels in areas of high pollution (e.g. a city centre or a populated area downwind of a large pollution source) and low pollution (e.g. rural area). This document reports the discussions held during the second Research Co-ordination Meeting (RCM) for the CRP which took place at ANSTO in Menai, Australia. (author)

Biomonitoring of air pollution in Jamaica through trace-element analysis of epiphytic plants using nuclear and related analytical techniques

International Nuclear Information System (INIS)

Vutchkov, Mitko

2001-01-01

The main goal of the Coordinated Research Project (No:9937/R0), entitled 'Biomonitoring of Air Pollution in Jamaica Through Trace-Element Analysis of Epiphytic Plants Using Nuclear and Related Analytical Techniques', is to identify and validate site specific epiphytic plants for biomonitoring the atmospheric pollution in Jamaica using nuclear analytical techniques at the International Centre for Environmental and Nuclear Sciences (ICENS). The specific objectives for the second year of the project were: Development of HOP for sampling epiphytic plants in Jamaica; Sampling design and sample collection; Sample preparation and analysis; Development of an in-house SRM and participation in the NAT-5 inter-laboratory study; Data analysis and interpretation of the results; Development of a work plan of the third year of the project

Determination and identification of synthetic cannabinoids and their metabolites in different matrices by modern analytical techniques – a review

International Nuclear Information System (INIS)

Znaleziona, Joanna; Ginterová, Pavlína; Petr, Jan; Ondra, Peter; Válka, Ivo; Ševčík, Juraj; Chrastina, Jan; Maier, Vítězslav

2015-01-01

Highlights: • Synthetic cannabinoids from analytical point of view. • Determination and identification methods of synthetic cannabinoids in different matrices. • Analytical techniques used from thin layer chromatography to high resolution mass spectrometry. • Detailed survey of gas and liquid chromatography methods for synthetic cannabinoids analysis. - Abstract: Synthetic cannabinoids have gained popularity due to their easy accessibility and psychoactive effects. Furthermore, they cannot be detected in urine by routine drug monitoring. The wide range of active ingredients in analyzed matrices hinders the development of a standard analytical method for their determination. Moreover, their possible side effects are not well known which increases the danger. This review is focused on the sample preparation and the determination of synthetic cannabinoids in different matrices (serum, urine, herbal blends, oral fluid, hair) published since 2004. The review includes separation and identification techniques, such as thin layer chromatography, gas and liquid chromatography and capillary electrophoresis, mostly coupled with mass spectrometry. The review also includes results by spectral methods like infrared spectroscopy, nuclear magnetic resonance or direct-injection mass spectrometry

Determination and identification of synthetic cannabinoids and their metabolites in different matrices by modern analytical techniques – a review

Energy Technology Data Exchange (ETDEWEB)

Znaleziona, Joanna; Ginterová, Pavlína; Petr, Jan [Regional Centre of Advanced Technologies and Materials, Department of Analytical Chemistry, Faculty of Science, Palacký University, 17. Listopadu 12, Olomouc CZ-77146 (Czech Republic); Ondra, Peter; Válka, Ivo [Department of Forensic Medicine and Medical Law Faculty Hospital, Hněvotínská 3, Olomouc CZ-77146 (Czech Republic); Ševčík, Juraj [Regional Centre of Advanced Technologies and Materials, Department of Analytical Chemistry, Faculty of Science, Palacký University, 17. Listopadu 12, Olomouc CZ-77146 (Czech Republic); Chrastina, Jan [Institute of Special Education Studies, Faculty of Education, Palacký University, Žižkovo náměsti 5, Olomouc CZ-77146 (Czech Republic); Maier, Vítězslav, E-mail: vitezslav.maier@upol.cz [Regional Centre of Advanced Technologies and Materials, Department of Analytical Chemistry, Faculty of Science, Palacký University, 17. Listopadu 12, Olomouc CZ-77146 (Czech Republic)

2015-05-18

Highlights: • Synthetic cannabinoids from analytical point of view. • Determination and identification methods of synthetic cannabinoids in different matrices. • Analytical techniques used from thin layer chromatography to high resolution mass spectrometry. • Detailed survey of gas and liquid chromatography methods for synthetic cannabinoids analysis. - Abstract: Synthetic cannabinoids have gained popularity due to their easy accessibility and psychoactive effects. Furthermore, they cannot be detected in urine by routine drug monitoring. The wide range of active ingredients in analyzed matrices hinders the development of a standard analytical method for their determination. Moreover, their possible side effects are not well known which increases the danger. This review is focused on the sample preparation and the determination of synthetic cannabinoids in different matrices (serum, urine, herbal blends, oral fluid, hair) published since 2004. The review includes separation and identification techniques, such as thin layer chromatography, gas and liquid chromatography and capillary electrophoresis, mostly coupled with mass spectrometry. The review also includes results by spectral methods like infrared spectroscopy, nuclear magnetic resonance or direct-injection mass spectrometry.

Voltammetric technique, a panacea for analytical examination of environmental samples

International Nuclear Information System (INIS)

Zahir, E.; Mohiuddin, S.; Naqvi, I.I.

2012-01-01

Voltammetric methods for trace metal analysis in environmental samples of marine origin like mangrove, sediments and shrimps are generally recommended. Three different electro-analytical techniques i.e. polarography, anodic stripping voltammetry (ASV) and adsorptive stripping voltammetry (ADSV) have been used. Cd/sub 2/+, Pb/sub 2/+, Cu/sub 2/+ and Mn/sub 2/+ were determined through ASV, Cr/sub 6/+ was analyzed by ADSV and Fe/sub 2/+, Zn/sub 2/+, Ni/sub 2/+ and Co/sub 2/+ were determined through polarography. Out of which pairs of Fe/sub 2/+Zn/sub 2/+ and Ni/sub 2/+Co/sub 2/+ were determined in two separate runs while Cd/sub 2/+, Pb/sub 2/+, Cu/sub 2/+ were analyzed in single run of ASV. Sensitivity and speciation capabilities of voltammetric methods have been employed. Analysis conditions were optimized that includes selection of supporting electrolyte, pH, working electrodes, sweep rate etc. Stripping voltammetry was adopted for analysis at ultra trace levels. Statistical parameters for analytical method development like selectivity factor, interference, repeatability (0.0065-0.130 macro g/g), reproducibility (0.08125-1.625 macro g/g), detection limits (0.032-5.06 macro g/g), limits of quantification (0.081-12.652 macro g/g), sensitivities (5.636-2.15 nA mL macro g-1) etc. were also determined. The percentage recoveries were found in between 95-105% using certified reference materials. Real samples of complex marine environment from Karachi coastline were also analyzed. The standard addition method was employed where any matrix effect was evidenced. (author)

Recent Studies on the Speciation and Determination of Mercury in Different Environmental Matrices Using Various Analytical Techniques

Directory of Open Access Journals (Sweden)

Lakshmi Narayana Suvarapu

2017-01-01

Full Text Available This paper reviews the current research on the speciation and determination of mercury by various analytical techniques, including the atomic absorption spectrometry (AAS, voltammetry, inductively coupled plasma optical emission spectrometry (ICP-OES, ICP-mass spectrometry (MS, atomic fluorescence spectrometry (AFS, spectrophotometry, spectrofluorometry, and high performance liquid chromatography (HPLC. Approximately 96 research papers on the speciation and determination of mercury by various analytical instruments published in international journals since 2015 were reviewed. All analytical parameters, including the limits of detection, linearity range, quality assurance and control, applicability, and interfering ions, evaluated in the reviewed articles were tabulated. In this review, we found a lack of information in speciation studies of mercury in recent years. Another important conclusion from this review was that there were few studies regarding the concentration of mercury in the atmosphere.

Proficiency Testing by Interlaboratory Comparison Performed in 2010-2015 for Neutron Activation Analysis and Other Analytical Techniques

International Nuclear Information System (INIS)

2017-12-01

The IAEA supports its Member States to increase the utilization of their research reactors. Small and medium sized reactors are mostly used for neutron activation analysis (NAA). Although the markets for NAA laboratories have been identified, demonstration of valid analytical results and organizational quality of the work process are preconditions for expanding the stakeholder community, particularly in commercial routine application of this powerful technique. The IAEA has implemented a new mechanism for supporting NAA laboratories in demonstrating their analytical performance by participation in proficiency testing schemes by interlaboratory comparison. This activity makes possible the identification of deviations and non-conformities, their causes and the process to implement effective approaches to eliminate them. Over 30 laboratories participated between 2010 and 2015 in consecutive proficiency tests organized by the IAEA in conjunction with the Wageningen Evaluating Programmes for Analytical Laboratories (WEPAL) to assess their analytical performances. This publication reports the findings and includes lessons learned of this activity. An attached CD-ROM contains many individual participating laboratory papers sharing their individual results and experience gained through this participation.

Development and evaluation of analytical techniques for total chlorine in used oils and oil fuels

International Nuclear Information System (INIS)

Gaskill, A. Jr.; Estes, E.D.; Hardison, D.L.; Friedman, P.H.

1990-01-01

A current EPA regulation prohibits the sale for burning in nonindustrial boilers of used oils and oil fuels. This paper discusses how analytical techniques for determining total chlorine were evaluated to provide regulatory agencies and the regulated community with appropriate chlorine test methods. The techniques evaluated included oxygen bomb combustion followed by chemical titration or ion chromatography, instrumental microcoulometry, field test kits, and instrumental furnace/specific ion electrode determinator, a device based on the Beilstein reaction, and x-ray fluorescence spectrometry. These techniques were subjected to interlaboratory testing to estimate their precision, accuracy, and sensitivity. Virgin and used crankcase oils, hydraulic and metalworking oils, oil fuels and oil fuel blends with used oils were tested. The bomb techniques, one of the test kits, microcoulometry and all but one x-ray analyzer were found to be suitable for this application. The chlorine furnace and the Beilstein device were found to be inapplicable at the levels of interest

Evaluation of available analytical techniques for monitoring the quality of space station potable water

Science.gov (United States)

Geer, Richard D.

1989-01-01

To assure the quality of potable water (PW) on the Space Station (SS) a number of chemical and physical tests must be conducted routinely. After reviewing the requirements for potable water, both direct and indirect analytical methods are evaluated that could make the required tests and improvements compatible with the Space Station operation. A variety of suggestions are made to improve the analytical techniques for SS operation. The most important recommendations are: (1) the silver/silver chloride electrode (SB) method of removing I sub 2/I (-) biocide from the water, since it may interfere with analytical procedures for PW and also its end uses; (2) the orbital reactor (OR) method of carrying out chemistry and electrochemistry in microgravity by using a disk shaped reactor on an orbital table to impart artificial G force to the contents, allowing solution mixing and separation of gases and liquids; and (3) a simple ultra low volume highly sensitive electrochemical/conductivity detector for use with a capillary zone electrophoresis apparatus. It is also recommended, since several different conductivity and resistance measurements are made during the analysis of PW, that the bipolar pulse measuring circuit be used in all these applications for maximum compatibility and redundancy of equipment.

NMR-Based Metabonomic Investigation of Heat Stress in Myotubes Reveals a Time-Dependent Change in the Metabolites

DEFF Research Database (Denmark)

Straadt, Ida K; Young, Jette F; Bross, Peter

2010-01-01

NMR-based metabonomics was applied to elucidate the time-dependent stress responses in mouse myotubes after heat exposure of either 42 or 45 degrees C for 1 h. Principal component analysis (PCA) revealed that the gradual time-dependent changes in metabolites contributing to the clustering...... and separation of the control samples from the different time points after heat stress primarily are in the metabolites glucose, leucine, lysine, phenylalanine, creatine, glutamine, and acetate. In addition, PC scores revealed a maximum change in metabolite composition 4 h after the stress exposure; thereafter......, samples returned toward control samples, however, without reaching the control samples even 10 h after stress. The results also indicate that the myotubes efficiently regulate the pH level by release of lactate to the culture medium at a heat stress level of 42 degrees C, which is a temperature level...

Quantitative determination of the intensities of known components in spectra obtained from surface analytical techniques

International Nuclear Information System (INIS)

Nelson, G.C.

1984-01-01

Linear least-squares methods have been used to quantitatively decompose experimental data obtained from surface analytical techniques into its separate components. The mathematical procedure for accomplishing this is described and examples are given of the use of this method with data obtained from Auger electron spectroscopy [both N(E) and derivative], x-ray photoelectron spectroscopy, and low energy ion scattering spectroscopy. The requirements on the quality of the data are discussed

Recent analytical applications of magnetic nanoparticles

Directory of Open Access Journals (Sweden)

Mohammad Faraji

2016-07-01

Full Text Available Analytical chemistry has experienced, as well as other areas of science, a big change due to the needs and opportunities provided by analytical nanoscience and nanotechnology. Now, nanotechnology is increasingly proving to be a powerful ally of analytical chemistry to achieve its objectives, and to simplify analytical processes. Moreover, the information needs arising from the growing nanotechnological activity are opening an exciting new field of action for analytical chemists. Magnetic nanoparticles have been used in various fields owing to their unique properties including large specific surface area and simple separation with magnetic fields. For Analytical applications, they have been used mainly for sample preparation techniques (magnetic solid phase extraction with different advanced functional groups (layered double hydroxide, β-cyclodextrin, carbon nanotube, graphen, polymer, octadecylsilane and automation of it, microextraction techniques enantioseparation and chemosensors. This review summarizes the basic principles and achievements of magnetic nanoparticles in sample preparation techniques, enantioseparation and chemosensors. Also, some selected articles recently published (2010-2016 have been reviewed and discussed.

Role of nuclear analytical probe techniques in biological trace element research

International Nuclear Information System (INIS)

Jones, K.W.; Pounds, J.G.

1985-01-01

Many biomedical experiments require the qualitative and quantitative localization of trace elements with high sensitivity and good spatial resolution. The feasibility of measuring the chemical form of the elements, the time course of trace elements metabolism, and of conducting experiments in living biological systems are also important requirements for biological trace element research. Nuclear analytical techniques that employ ion or photon beams have grown in importance in the past decade and have led to several new experimental approaches. Some of the important features of these methods are reviewed here along with their role in trace element research, and examples of their use are given to illustrate potential for new research directions. It is emphasized that the effective application of these methods necessitates a closely integrated multidisciplinary scientific team. 21 refs., 4 figs., 1 tab

Intracavity optogalvanic spectroscopy. An analytical technique for 14C analysis with subattomole sensitivity.

Science.gov (United States)

Murnick, Daniel E; Dogru, Ozgur; Ilkmen, Erhan

2008-07-01

We show a new ultrasensitive laser-based analytical technique, intracavity optogalvanic spectroscopy, allowing extremely high sensitivity for detection of (14)C-labeled carbon dioxide. Capable of replacing large accelerator mass spectrometers, the technique quantifies attomoles of (14)C in submicrogram samples. Based on the specificity of narrow laser resonances coupled with the sensitivity provided by standing waves in an optical cavity and detection via impedance variations, limits of detection near 10(-15) (14)C/(12)C ratios are obtained. Using a 15-W (14)CO2 laser, a linear calibration with samples from 10(-15) to >1.5 x 10(-12) in (14)C/(12)C ratios, as determined by accelerator mass spectrometry, is demonstrated. Possible applications include microdosing studies in drug development, individualized subtherapeutic tests of drug metabolism, carbon dating and real time monitoring of atmospheric radiocarbon. The method can also be applied to detection of other trace entities.

A new multi-step technique with differential transform method for analytical solution of some nonlinear variable delay differential equations.

Science.gov (United States)

Benhammouda, Brahim; Vazquez-Leal, Hector

2016-01-01

This work presents an analytical solution of some nonlinear delay differential equations (DDEs) with variable delays. Such DDEs are difficult to treat numerically and cannot be solved by existing general purpose codes. A new method of steps combined with the differential transform method (DTM) is proposed as a powerful tool to solve these DDEs. This method reduces the DDEs to ordinary differential equations that are then solved by the DTM. Furthermore, we show that the solutions can be improved by Laplace-Padé resummation method. Two examples are presented to show the efficiency of the proposed technique. The main advantage of this technique is that it possesses a simple procedure based on a few straight forward steps and can be combined with any analytical method, other than the DTM, like the homotopy perturbation method.

Preparation of uranium targets and application of analytical techniques for its evaluation

International Nuclear Information System (INIS)

Luna Z, D.

1994-01-01

The objective of this work is to establish a method to produce uranium targets. The method selected for this purpose was the molecular plating. The first part of this work is devoted to the proper selection of an analytical technique to evaluate the different steps of the molecular plating method. Neutron Activation Analysis was chosen, because its high sensitivity and can be adapted easily to follow the whole procedure. The second part presents the experimental procedure and the study of the different parameters involved in the molecular plating and the evaluation of its uniformity was made using plastic track detectors. The results obtained are presented and a procedure is suggested to produce uranium targets. (Author)

Uncovering category specificity of genital sexual arousal in women: The critical role of analytic technique.

Science.gov (United States)

Pulverman, Carey S; Hixon, J Gregory; Meston, Cindy M

2015-10-01

Based on analytic techniques that collapse data into a single average value, it has been reported that women lack category specificity and show genital sexual arousal to a large range of sexual stimuli including those that both match and do not match their self-reported sexual interests. These findings may be a methodological artifact of the way in which data are analyzed. This study examined whether using an analytic technique that models data over time would yield different results. Across two studies, heterosexual (N = 19) and lesbian (N = 14) women viewed erotic films featuring heterosexual, lesbian, and gay male couples, respectively, as their physiological sexual arousal was assessed with vaginal photoplethysmography. Data analysis with traditional methods comparing average genital arousal between films failed to detect specificity of genital arousal for either group. When data were analyzed with smoothing regression splines and a within-subjects approach, both heterosexual and lesbian women demonstrated different patterns of genital sexual arousal to the different types of erotic films, suggesting that sophisticated statistical techniques may be necessary to more fully understand women's genital sexual arousal response. Heterosexual women showed category-specific genital sexual arousal. Lesbian women showed higher arousal to the heterosexual film than the other films. However, within subjects, lesbian women showed significantly different arousal responses suggesting that lesbian women's genital arousal discriminates between different categories of stimuli at the individual level. Implications for the future use of vaginal photoplethysmography as a diagnostic tool of sexual preferences in clinical and forensic settings are discussed. © 2015 Society for Psychophysiological Research.

Earth Science Data Analytics: Bridging Tools and Techniques with the Co-Analysis of Large, Heterogeneous Datasets

Science.gov (United States)

Kempler, Steve; Mathews, Tiffany

2016-01-01

The continuum of ever-evolving data management systems affords great opportunities to the enhancement of knowledge and facilitation of science research. To take advantage of these opportunities, it is essential to understand and develop methods that enable data relationships to be examined and the information to be manipulated. This presentation describes the efforts of the Earth Science Information Partners (ESIP) Federation Earth Science Data Analytics (ESDA) Cluster to understand, define, and facilitate the implementation of ESDA to advance science research. As a result of the void of Earth science data analytics publication material, the cluster has defined ESDA along with 10 goals to set the framework for a common understanding of tools and techniques that are available and still needed to support ESDA.

[Mass spectrometry technology and its application in analysis of biological samples].

Science.gov (United States)

Zhao, Long-Shan; Li, Qing; Guo, Chao-Wei; Chen, Xiao-Hui; Bi, Kai-Shun

2012-02-01

With the excellent merits of wide analytical range, high sensitivity, small sample size, fast analysis speed, good repeatability, simple operation, low mobile phase consumption, as well as its capability of simultaneous isolation and identification, etc, mass spectrometry techniques have become widely used in the area of environmental science, energy chemical industry, biological medicine, and so on. This article reviews the application of mass spectrometry technology in biological sample analysis in the latest three years with the focus on the new applications in pharmacokinetics and bioequivalence, toxicokinetics, pharmacokinetic-pharmacodynamic, population pharmacokinetics, identification and fragmentation pathways of drugs and their metabolites and metabonomics to provide references for further study of biological sample analysis.

Predicting core losses and efficiency of SRM in continuous current mode of operation using improved analytical technique

International Nuclear Information System (INIS)

Parsapour, Amir; Dehkordi, Behzad Mirzaeian; Moallem, Mehdi

2015-01-01

In applications in which the high torque per ampere at low speed and rated power at high speed are required, the continuous current method is the best solution. However, there is no report on calculating the core loss of SRM in continuous current mode of operation. Efficiency and iron loss calculation which are complex tasks in case of conventional mode of operation is even more involved in continuous current mode of operation. In this paper, the Switched Reluctance Motor (SRM) is modeled using finite element method and core loss and copper loss of SRM in discontinuous and continuous current modes of operation are calculated using improved analytical techniques to include the minor loop losses in continuous current mode of operation. Motor efficiency versus speed in both operation modes is obtained and compared. - Highlights: • Continuous current method for Switched Reluctance Motor (SRM) is explained. • An improved analytical technique is presented for SRM core loss calculation. • SRM losses in discontinuous and continuous current operation modes are presented. • Effect of mutual inductances on SRM performance is investigated

Predicting core losses and efficiency of SRM in continuous current mode of operation using improved analytical technique

Energy Technology Data Exchange (ETDEWEB)

Parsapour, Amir, E-mail: amirparsapour@gmail.com [Department of Electrical Engineering, University of Isfahan, Isfahan (Iran, Islamic Republic of); Dehkordi, Behzad Mirzaeian, E-mail: mirzaeian@eng.ui.ac.ir [Department of Electrical Engineering, University of Isfahan, Isfahan (Iran, Islamic Republic of); Moallem, Mehdi, E-mail: moallem@cc.iut.ac.ir [Department of Electrical Engineering, Isfahan University of Technology, Isfahan (Iran, Islamic Republic of)

2015-03-15

In applications in which the high torque per ampere at low speed and rated power at high speed are required, the continuous current method is the best solution. However, there is no report on calculating the core loss of SRM in continuous current mode of operation. Efficiency and iron loss calculation which are complex tasks in case of conventional mode of operation is even more involved in continuous current mode of operation. In this paper, the Switched Reluctance Motor (SRM) is modeled using finite element method and core loss and copper loss of SRM in discontinuous and continuous current modes of operation are calculated using improved analytical techniques to include the minor loop losses in continuous current mode of operation. Motor efficiency versus speed in both operation modes is obtained and compared. - Highlights: • Continuous current method for Switched Reluctance Motor (SRM) is explained. • An improved analytical technique is presented for SRM core loss calculation. • SRM losses in discontinuous and continuous current operation modes are presented. • Effect of mutual inductances on SRM performance is investigated.

In Situ Analytical Characterization of Contaminated Sites Using Nuclear Spectrometry Techniques. Review of Methodologies and Measurements

International Nuclear Information System (INIS)

2017-01-01

Past and current human activities can result in the contamination of sites by radionuclides and heavy metals. The sources of contamination are various. The most important sources for radionuclide release include global fallout from nuclear testing, nuclear and radiological accidents, waste production from nuclear facilities, and activities involving naturally occurring radioactive material (NORM). Contamination of the environment by heavy metals mainly originates from industrial applications and mineralogical background concentration. Contamination of sites by radionuclides and heavy metals can present a risk to people and the environment. Therefore, the estimation of the contamination level and the identification of the source constitute important information for the national authorities with the responsibility to protect people and the environment from adverse health effects. In situ analytical techniques based on nuclear spectrometry are important tools for the characterization of contaminated sites. Much progress has been made in the design and implementation of portable systems for efficient and effective monitoring of radioactivity and heavy metals in the environment directly on-site. Accordingly, the IAEA organized a Technical Meeting to review the current status and trends of various applications of in situ nuclear spectrometry techniques for analytical characterization of contaminated sites and to support Member States in their national environmental monitoring programmes applying portable instrumentation. This publication represents a comprehensive review of the in situ gamma ray spectrometry and field portable X ray fluorescence analysis techniques for the characterization of contaminated sites. It includes papers on the use of these techniques, which provide useful background information for conducting similar studies, in the following Member States: Argentina, Australia, Brazil, Czech Republic, Egypt, France, Greece, Hungary, Italy, Lithuania

Contribution of analytical techniques coupled to the knowledge of the uranium speciation in natural conditions

International Nuclear Information System (INIS)

Petit, J.

2009-06-01

To understand the transport mechanisms and the radionuclides behaviour in the bio-geosphere is necessary to evaluate healthy and environmental risks of nuclear industry. These mechanisms are monitored by radioelements speciation, namely the distribution between their different physico-chemical forms in the environment. From this perspective, this PhD thesis deals with uranium speciation in a natural background. A detailed summary of uranium biogeochemistry has been written, which enables to restrict the PhD issue to uranium complexation with oxalic acid, a hydrophilic organic acid with good binding properties, ubiquitous in soil waters. Analytical conditions have been established by means of speciation diagrams. The speciation diagrams building by means of literature stability constants has allowed to define the analytical conditions of complex formation. The chosen analytical technique is the hyphenation of a separative technique (liquid chromatography LC or capillary electrophoresis CE) with mass spectrometry (ICPMS). The studied complexes presence in the synthetic samples has been confirmed with UV/visible spectrophotometry. LC-ICPMS analyses have proved the lability of the uranyl-organic acid complexes, namely their tendency to dissociate during analysis, which prevents from studying uranium speciation. CE-ICPMS study of labile complexes from a metal-ligand system has been made possible by employing affinity capillary electrophoresis, which enables to determine stability constants and electrophoretic mobilities. This PhD thesis has allowed to compare the different mathematical treatments of binding isotherm and to take into account ionic strength and real ligand concentration. Affinity CE has been applied successfully to lanthanum-oxalate (model system) and uranium-oxalate systems. The obtained results have been applied to a real system (situated in Le Bouchet). This shows the contribution of the developed method to the modelling of uranium speciation. (author)

Analytical techniques for determination and control of silica content in the water in thermal power plants

Directory of Open Access Journals (Sweden)

Ignjatović Nataša R.

2015-01-01

Full Text Available Ultrapure water with minimum contents of impurities is used for the preparation of steam in thermal power plants. More recently it has been found that the corrosion process is also influenced by sodium ions, chloride ions, and all forms of silicon in water. At higher temperatures and under high pressure the less soluble compounds of silicon are extracted, which form deposits on the walls of the boiler, the piping system and the turbine blades. Silicon is found in water in the form of different types (species which are characterized by specific physical and chemical properties. Distinctions can be made between highly reactive species of ionic (silicate anions and molecular forms (silicic acid and relatively inert types (suspended, colloidal, and polymerized silicon. The determination of various forms of silicon in water is a complex analytical task. This paper covers relevant research in the field of silicon specification analysis. Maintaining the unchanged, original composition of silicon species during various stages of analysis (sample collection, storage, and conservation has been given special attention. A large number of methods and procedures have been developed for the analysis of species of silicon, including chromatographic, spectroscopic and electrochemical techniques and combinations thereof. The techniques used for determining both the total amount and individual forms of silicon have been singled out. There is also an overview of the coupled techniques used most frequently in practice by using the methodology which involves preliminary separation of species and then individual specification. The paper offers an overview of analytical properties, advantages and disadvantages of the most representative analytical methods developed specifically for the analysis of silicon species in ultrapure water. The most important studies focusing on the silicon species in water have been highlighted and presented in detail. The determination of

Commissioning of the laboratory of Atucha II NPP. Implementation and optimization of analytical techniques, quality aspects

International Nuclear Information System (INIS)

Schoenbrod, Betina; Quispe, Benjamin; Cattaneo, Alberto; Rodriguez, Ivanna; Chocron, Mauricio; Farias, Silvia

2012-09-01

Atucha II NPP is a Pressurized Vessel Heavy Water Reactor (PVHWR) of 740 MWe designed by SIEMENSKWU. After some years of delay, this NPP is in advanced construction state, being the beginning of commercial operation expected for 2013. Nucleoelectrica Argentina (N.A.S.A.) is the company in charge of the finalization of this project and the future operation of the plant. The Comision Nacional de Energia Atomica (C.N.E.A.) is the R and D nuclear institution in the country that, among many other topics, provides technical support to the stations. The Commissioning Chemistry Division of CNAII is in charge of the commissioning of the demineralization water plant and the organization of the chemical laboratory. The water plant started operating successfully in July 2010 and is providing the plant with nuclear grade purity water. Currently, in the conventional ('cold') laboratory several activities are taking place. On one hand, analytical techniques for the future operation of the plant are being tested and optimized. On the other hand, the laboratory is participating in the cleaning and conservation of the different components of the plant, providing technical support and the necessary analysis. To define the analytical techniques for the normal operation of the plant, the parameters to be measured and their range were established in the Chemistry Manual. The necessary equipment and reagents were bought. In this work, a summary of the analytical techniques that are being implemented and optimized is presented. Common anions (chloride, sulfate, fluoride, bromide and nitrate) are analyzed by ion chromatography. Cations, mainly sodium, are determined by absorption spectrometry. A UV-Vis spectrometer is used to determine silicates, iron, ammonia, DQO, total solids, true color and turbidity. TOC measurements are performed with a TOC analyzer. To optimize the methods, several parameters are evaluated: linearity, detection and quantification limits, precision and

Atomic and nuclear analytical methods. XRF, Moessbauer, XPS, NAA and ion-beam spectroscopic techniques

International Nuclear Information System (INIS)

Verma, H.R.

2007-01-01

This book is a blend of analytical methods based on the phenomenon of atomic and nuclear physics. It comprises comprehensive presentations about X-ray Fluorescence (XRF), Moessbauer Spectroscopy (MS), X-ray Photoelectron Spectroscopy (XPS), Neutron- Activation Analysis (NAA), Particle Induced X-ray Emission Analysis (PIXE), Rutherford Backscattering Analysis (RBS), Elastic Recoil Detection (ERD), Nuclear Reaction Analysis (NRA), Particle Induced Gamma-ray Emission Analysis (PIGE), and Accelerator Mass Spectrometry (AMS). These techniques are commonly applied in the fields of medicine, biology, environmental studies, archaeology or geology et al. and pursued in major international research laboratories. (orig.)

Development and evaluation of analytical techniques for total chlorine in burner fuels

International Nuclear Information System (INIS)

Gaskill, A. Jr.; Estes, E.D.; Hardison, D.L.; Friedman, P.H.

1987-01-01

A current EPA regulation prohibits the sale for burning in non-industrial boilers of used oils and oil fuels contaminated above specified levels with certain metals and total chlorine. When burned as fuel in a small boiler, the contaminants may be emitted to the ambient air at hazardous levels. This regulation establishes a rebuttable presumption that used oil containing more than 1,000 ppm total chlorine has been mixed with halogenated solvents and is a hazardous waste. Rebutting the presumption requires the seller of the oil to prove that this chlorine is not due to halogenated solvents or other hazardous halogenated organics. If the rebuttal is successful, the oil can be sold as fuel up to a level of 4000 ppm total chlorine. Analytical techniques for determination of total chlorine were evaluated or developed to provide regulatory agencies and the regulated community with appropriate chlorine test methods. The techniques evaluated included chemical titrations following oxygen bomb combustion, disposable field test kits, instrumental microcoulometry, and x-ray fluorescence spectrometry. These candidate techniques were subjected to interlaboratory testing to estimate their precision, accuracy, sensitivity, and susceptibility to matrix effects. Information on ease of use and analysis costs was also collected. Based on this pilot study, test methods will be written for the most promising techniques and subjected to a formal collaborative study to generate precision and accuracy data for each method. These methods are to be proposed in the Federal Register as mandatory for compliance with the existing used oil regulation

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

Science.gov (United States)

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.

Analytical quality, performance indices and laboratory service

DEFF Research Database (Denmark)

Hilden, Jørgen; Magid, Erik

1999-01-01

analytical error, bias, cost effectiveness, decision-making, laboratory techniques and procedures, mass screening, models, statistical, quality control......analytical error, bias, cost effectiveness, decision-making, laboratory techniques and procedures, mass screening, models, statistical, quality control...

Determination of trace impurities in uranium-transition metal alloy fuels by ICP-MS using extended common analyte internal standardization (ECAIS) technique

International Nuclear Information System (INIS)

Saha, Abhijit; Deb, S.B.; Nagar, B.K.; Saxena, M.K.

2015-01-01

An analytical methodology was developed for the determination of eight trace impurities viz, Al, B, Cd, Co, Cu, Mg, Mn and Ni in three different uranium-transition metal alloy fuels (U-Me; Me = Ti, Zr and Mo) employing inductively coupled plasma mass spectrometry (ICP-MS). The well known common analyte internal standardization (CAIS) chemometric technique was modified and then employed to minimize and account for the matrix effect on analyte intensity. Standard addition of analytes to the pure synthetic U-Me sample solutions and subsequently their ≥ 94% recovery by the ICP-MS measurement validates the proposed methodology. One real sample of each of these alloys was analyzed by the developed analytical methodology and the %RSD observed was in the range of 5-8%. The method detection limits were found to be within 4-10 μg L -1 . (author)

Development of an analytical theory to describe the PNAR and CIPN nondestructive assay techniques

International Nuclear Information System (INIS)

Bolind, Alan Michael

2014-01-01

Highlights: • Neutron albedo is modeled by a discrete and iterative reflection process. • The theory enables the PNAR and CIPN NDA techniques to be compared quantitatively. • Improvements to the data analysis and to the CIPN instrument design are suggested. • A correction to translate real no-reflection PNAR data into ideal data is provided. - Abstract: This paper develops an analytical theory to describe how neutron albedo (reflection) increases the multiplication of neutrons by a used fuel assembly. With this theory, the two nondestructive assay (NDA) techniques of Passive Neutron Albedo Reactivity (PNAR) and Californium-252 Interrogation with Prompt Neutron Detection (CIPN) can be compared directly. Specifically, the theory derives expressions for the PNAR and CIPN metrics in terms of the physical properties of the used fuel assembly, such as the neutron multiplications and fate probabilities. The theory thus clarifies the interpretation of these two NDA techniques and suggests ways to improve both the design of the NDA instruments and the algorithms for analyzing the measurement results

Icariin reverses corticosterone-induced depression-like behavior, decrease in hippocampal brain-derived neurotrophic factor (BDNF) and metabolic network disturbances revealed by NMR-based metabonomics in rats.

Science.gov (United States)

Gong, Meng-Juan; Han, Bin; Wang, Shu-mei; Liang, Sheng-wang; Zou, Zhong-jie

2016-05-10

Previously published reports have revealed the antidepressant-like effects of icariin in a chronic mild stress model of depression and in a social defeat stress model in mice. However, the therapeutic effect of icariin in an animal model of glucocorticoid-induced depression remains unclear. This study aimed to investigate antidepressant-like effect and the possible mechanisms of icariin in a rat model of corticosterone (CORT)-induced depression by using a combination of behavioral and biochemical assessments and NMR-based metabonomics. The depression model was established by subcutaneous injections of CORT for 21 consecutive days in rats, as evidenced by reduced sucrose intake and hippocampal brain-derived neurotrophic factor (BDNF) levels, together with an increase in immobility time in a forced swim test (FST). Icariin significantly increased sucrose intake and hippocampal BDNF level and decreased the immobility time in FST in CORT-induced depressive rats, suggesting its potent antidepressant activity. Moreover, metabonomic analysis identified eight, five and three potential biomarkers associated with depression in serum, urine and brain tissue extract, respectively. These biomarkers are primarily involved in energy metabolism, lipid metabolism, amino acid metabolism and gut microbe metabolism. Icariin reversed the pathological process of CORT-induced depression, partially via regulation of the disturbed metabolic pathways. These results provide important mechanistic insights into the protective effects of icariin against CORT-induced depression and metabolic dysfunction. Copyright © 2016 Elsevier B.V. All rights reserved.

Multiple Solutions of Nonlinear Boundary Value Problems of Fractional Order: A New Analytic Iterative Technique

Directory of Open Access Journals (Sweden)

Omar Abu Arqub

2014-01-01

Full Text Available The purpose of this paper is to present a new kind of analytical method, the so-called residual power series, to predict and represent the multiplicity of solutions to nonlinear boundary value problems of fractional order. The present method is capable of calculating all branches of solutions simultaneously, even if these multiple solutions are very close and thus rather difficult to distinguish even by numerical techniques. To verify the computational efficiency of the designed proposed technique, two nonlinear models are performed, one of them arises in mixed convection flows and the other one arises in heat transfer, which both admit multiple solutions. The results reveal that the method is very effective, straightforward, and powerful for formulating these multiple solutions.

Various extraction and analytical techniques for isolation and identification of secondary metabolites from Nigella sativa seeds.

Science.gov (United States)

Liu, X; Abd El-Aty, A M; Shim, J-H

2011-10-01

Nigella sativa L. (black cumin), commonly known as black seed, is a member of the Ranunculaceae family. This seed is used as a natural remedy in many Middle Eastern and Far Eastern countries. Extracts prepared from N. sativa have, for centuries, been used for medical purposes. Thus far, the organic compounds in N. sativa, including alkaloids, steroids, carbohydrates, flavonoids, fatty acids, etc. have been fairly well characterized. Herein, we summarize some new extraction techniques, including microwave assisted extraction (MAE) and supercritical extraction techniques (SFE), in addition to the classical method of hydrodistillation (HD), which have been employed for isolation and various analytical techniques used for the identification of secondary metabolites in black seed. We believe that some compounds contained in N. sativa remain to be identified, and that high-throughput screening could help to identify new compounds. A study addressing environmentally-friendly techniques that have minimal or no environmental effects is currently underway in our laboratory.

Application of the partitive analytical forecasting (PAF) technique to the United States controlled thermonuclear research effort

International Nuclear Information System (INIS)

Nichols, S.P.

1975-01-01

The Partitive Analytical Forecasting (PAF) technique is applied to the overall long-term program plans for the Division of Controlled Thermonuclear Research (DCTR) of the United States Energy Research and Development Administration (ERDA). As part of the PAF technique, the Graphical Evaluation and Review Technique (GERTS) IIIZ computer code is used to perform simulations on a logic network describing the DCTR long-term program plan. Logic networks describing the tokamak, mirror, and theta-pinch developments are simulated individually and then together to form an overall DCTR program network. The results of the simulation of the overall network using various funding schemes and strategies are presented. An economic sensitivity analysis is provided for the tokamak logic networks. An analysis is also performed of the fusion-fission hybrid concept in the context of the present DCTR goals. The results mentioned above as well as the PAF technique itself are evaluated, and recommendations for further research are discussed

[metabonomics research on coronary heart disease patients of phlegm turbidity syndrome and qi deficiency syndrome].

Science.gov (United States)

Cheng, Peng; Chen, Ze-qi; Wang, Dong-sheng

2015-02-01

To study the correlation between Chinese medical types of coronary heart disease (CHD) [i.e., phlegm turbidity syndrome (PTS) and qi deficiency syndrome (QDS)] and their metabolites. Recruited were 65 CHD patients including 37 cases of PTS and 28 cases of QDS. Serum endogenous metabolites in the two syndrome types were determined by gas chromatograph-mass spectrometer-computer (GC/MS), and their differences between their metabolic profiles analyzed. More than 100 chromatographic peaks were totally scanned. Chromatograms obtained was matched with mass spectrum bank, and finally we got the category contribution value of 46 kinds of substances. Results of MCTree analysis showed patients of PTS and patients of QDS could be effectively distinguished. Compounds contributing to identify the two syndromes were sequenced as serine, valine, 2 hydroxy propionic acid. Comparison of metabolites showed contents of serine and 2 hydroxy propionic acid were higher in patients of PTS than in patients of QDS (Pmetabonomics of CHD TCM syndrome types could provide material bases for TCM syndrome differentiation of CHD, indicating that metabonomics technologies might become a new research method for TCM syndrome typing.

Production of candidate natural matrix reference materials for micro-analytical techniques

International Nuclear Information System (INIS)

Zeisler, R.; Fajgelj, A.; Zeiller, E.

2002-01-01

Homogeneity is considered to be the most vital prerequisite for a certified reference material (CRM); more stringent requirements exist for the analysis of small subsamples. Many of the natural matrix CRMs are prepared from bulk samples by grinding and milling them to a certain particle size, which is expected to provide a more homogenous material; however recommended sample sizes for biological and environmental reference materials are found to be more than 100 mg. Since the milling of materials is costly and has some drawbacks, natural materials that already occur as small particles such as air particulate matter, certain sediments, and cellular biological materials may form the basis of the required reference materials. The nature of these materials, i.e. naturally occurring particles, may provide ideal model reference material. We describe here the production of the materials and preliminary tests, the evaluation for the micro-analytical techniques

NMR-based metabonomics and correlation analysis reveal potential biomarkers associated with chronic atrophic gastritis.

Science.gov (United States)

Cui, Jiajia; Liu, Yuetao; Hu, Yinghuan; Tong, Jiayu; Li, Aiping; Qu, Tingli; Qin, Xuemei; Du, Guanhua

2017-01-05

Chronic atrophic gastritis (CAG) is one of the most important pre-cancerous states with a high prevalence. Exploring of the underlying mechanism and potential biomarkers is of significant importance for CAG. In the present work, 1 H NMR-based metabonomics with correlative analysis was performed to analyze the metabolic features of CAG. 19 plasma metabolites and 18 urine metabolites were enrolled to construct the circulatory and excretory metabolome of CAG, which was in response to alterations of energy metabolism, inflammation, immune dysfunction, as well as oxidative stress. 7 plasma biomarkers and 7 urine biomarkers were screened to elucidate the pathogenesis of CAG based on the further correlation analysis with biochemical indexes. Finally, 3 plasma biomarkers (arginine, succinate and 3-hydroxybutyrate) and 2 urine biomarkers (α-ketoglutarate and valine) highlighted the potential to indicate risks of CAG in virtue of correlation with pepsin activity and ROC analysis. Here, our results paved a way for elucidating the underlying mechanisms in the development of CAG, and provided new avenues for the diagnosis of CAG and presented potential drug targets for treatment of CAG. Copyright © 2016 Elsevier B.V. All rights reserved.

[Evaluation of Brodifacoum-induced Toxicity by Metabonomics Approach Based on HPLC-TOF-MS].

Science.gov (United States)

Yan, H; Zhuo, X Y; Shen, B H; Xiang, P; Shen, M

2017-06-01

To analyse the metabolic changes in urine of rats with brodifacoum intoxication, and to reveal the molecular mechanism of brodifacoum-induced toxicity on rats. By establishing a brodifacoum poisoning rats model, the urine metabolic profiling data of rats were acquired using high performance liquid chromatography-time of flight mass spectrometry （HPLC-TOF-MS）. The orthogonal partial least squares analysis-discrimination analysis （OPLS-DA） was applied for the multivariate statistics and the discovery of differential metabolites closely related to toxicity of brodifacoum. OPLS-DA score plot showed that the urinary metabolic at different time points before and after drug administration had good similarity within time period and presented clustering phenomenon. Comparing the urine samples of rats before drug administration with which after drug administration, twenty-two metabolites related to brodifacoum-induced toxicity were selected. The toxic effect of brodifacoum worked by disturbing the metabolic pathways in rats such as tricarboxylic cycle, glycolysis, sphingolipid metabolism and tryptophan metabolism, and the toxicity of brodifacoum is characterized of accumulation effect. The metabonomic method based on urine HPLC-TOF-MS can provide a novel insight into the study on molecular mechanism of brodifacoum-induced toxicity. Copyright© by the Editorial Department of Journal of Forensic Medicine

Air particulate pollution studies in Asian countries using nuclear analytical techniques

International Nuclear Information System (INIS)

Hien, P.D.

1998-01-01

Air particulate pollution is regarded as critical in Asian cities. The levels of suspended particulate matter in major Asian cities far exceed the WHO's guideline. Nuclear analytical techniques have been widely used in the studies of air particulate pollution to provide aerosol elemental compositions for the purpose of deriving the structure of emission sources. This paper presents some preliminary observations and findings based on publications in scientific literatures. Data on PM-10 levels and socio-economic indicators are used for searching a relationship between air quality and the level of development across Asia. An inverse linear relationship between PM-10 levels and logarithm of per capita GDP appears to exist, although there are large fluctuations of data caused by the very different climatic and geographical conditions of cities studied. Soil dust is generally a major, or even predominant aerosol source in Asian cities. Other common sources include vehicular emissions, coal and oil combustion, burning of refuse (in open) and biomass (including forest fires). The relevance and the trends of these sources in Asian context are discussed. Multivariate receptor modelling techniques applied in source characterization are illustrated through the cases of Lahore and Hochiminh City. Although having limitations in dealing with mixing and overlapping sources, receptor modelling based on principal component factor analysis has been proven to be uncomplicated and sufficiently reliable for characterising aerosol sources in urban areas. (author)

Prompt nuclear analytical techniques for material research in accelerator driven transmutation technologies: Prospects and quantitative analyses

International Nuclear Information System (INIS)

Vacik, J.; Hnatowicz, V.; Cervena, J.; Perina, V.; Mach, R.

1998-01-01

Accelerator driven transmutation technology (ADTT) is a promising way toward liquidation of spent nuclear fuel, nuclear wastes and weapon grade Pu. The ADTT facility comprises a high current (proton) accelerator supplying a sub-critical reactor assembly with spallation neutrons. The reactor part is supposed to be cooled by molten fluorides or metals which serve, at the same time, as a carrier of nuclear fuel. Assumed high working temperature (400-600 C) and high radiation load in the subcritical reactor and spallation neutron source put forward the problem of optimal choice of ADTT construction materials, especially from the point of their radiation and corrosion resistance when in contact with liquid working media. The use of prompt nuclear analytical techniques in ADTT related material research is considered and examples of preliminary analytical results obtained using neutron depth profiling method are shown for illustration. (orig.)

Characterization of pre-hispanic pigments by modern analytical techniques

International Nuclear Information System (INIS)

Ortega A, M.

2003-01-01

In this work, the study of mural painting pigments from two archaeological sites (The Great Temple in Mexico city and Cacaxtla) was performed to know their materials composition, identify their structural characteristics and properties by using modern analytical techniques. Blue, ochre, red and black pigments of Mexica culture (1325-1521 a.C. / late Post Classic period); blue, ochre, red, brown, pink, green and white of Olmeca- Xicalanca culture (700-900 a.C. / Epiclassic period) were studied. Data about materials used, technological evolution, mineralogical background, cultural interchange and origin was obtained. Environmental exposition of these paintings since their discovering has produced changes and damage on their materials. Therefore, stability of some pigments has been notorious, ''Maya Blue'' specially presents extraordinary resistance to diluted and concentrated acids and alkalis including boiling condition, acqua regia, solvents, oxidant and reducing agents, moderate heat and biocorrosi6n; for that reason its study was emphasized. ''Maya Blue'' pigment was synthesized in laboratory using the processes described by historic sources (with indigophera suffruticosa leaves and synthetic indigo) up to obtain a stable pigment including acqua regia action. Clay matrix sorbs nearly 0.4 weight percent of organic dye, which cover 79% of palygorskita surface area. (Author)

Analytical method for the identification and assay of 12 phthalates in cosmetic products: application of the ISO 12787 international standard "Cosmetics-Analytical methods-Validation criteria for analytical results using chromatographic techniques".

Science.gov (United States)

Gimeno, Pascal; Maggio, Annie-Françoise; Bousquet, Claudine; Quoirez, Audrey; Civade, Corinne; Bonnet, Pierre-Antoine

2012-08-31

Esters of phthalic acid, more commonly named phthalates, may be present in cosmetic products as ingredients or contaminants. Their presence as contaminant can be due to the manufacturing process, to raw materials used or to the migration of phthalates from packaging when plastic (polyvinyl chloride--PVC) is used. 8 phthalates (DBP, DEHP, BBP, DMEP, DnPP, DiPP, DPP, and DiBP), classified H360 or H361, are forbidden in cosmetics according to the European regulation on cosmetics 1223/2009. A GC/MS method was developed for the assay of 12 phthalates in cosmetics, including the 8 phthalates regulated. Analyses are carried out on a GC/MS system with electron impact ionization mode (EI). The separation of phthalates is obtained on a cross-linked 5%-phenyl/95%-dimethylpolysiloxane capillary column 30 m × 0.25 mm (i.d.) × 0.25 mm film thickness using a temperature gradient. Phthalate quantification is performed by external calibration using an internal standard. Validation elements obtained on standard solutions, highlight a satisfactory system conformity (resolution>1.5), a common quantification limit at 0.25 ng injected, an acceptable linearity between 0.5 μg mL⁻¹ and 5.0 μg mL⁻¹ as well as a precision and an accuracy in agreement with in-house specifications. Cosmetic samples ready for analytical injection are analyzed after a dilution in ethanol whereas more complex cosmetic matrices, like milks and creams, are assayed after a liquid/liquid extraction using ter-butyl methyl ether (TBME). Depending on the type of cosmetics analyzed, the common limits of quantification for the 12 phthalates were set at 0.5 or 2.5 μg g⁻¹. All samples were assayed using the analytical approach described in the ISO 12787 international standard "Cosmetics-Analytical methods-Validation criteria for analytical results using chromatographic techniques". This analytical protocol is particularly adapted when it is not possible to make reconstituted sample matrices. Copyright © 2012

Workplace and occupational health: The first metal evaluation using nuclear and analytical techniques in the State of Minas Gerais, Brazil

International Nuclear Information System (INIS)

Barros Correia Menezes, M.A. de; Vilhena Schayer Sabino, C. de; Melo Mattos, S.V. de; Santos Filho, S.; Diniz, E.

1998-01-01

Belo Horizonte, the capital of the State of Minas Gerais and its neighbourhood are the second industrial center of Brazil, concentrating many industries in several areas mainly metal refining and transformation. There are no registers about the level of metal concentration in the environmental air in the industry, nor even of the level of workers' contamination. The overall objective of this Project is to make a survey of the exposures to metals related to occupational diseases in galvanizing industry, which is responsible for the majority of occurrences of occupational diseases. The survey will be accomplished using as bio-indicators hair, nails, blood, urine, and individual air filters. These matrixes will indicate the incorporation of metals and the exposure level. The analytical techniques that will be applied are the neutron activation joined to related non nuclear analytical techniques, such as atomic absorption. (author)

An appraisal of neutron activation analysis and other analytical techniques for the determination of arsenic, selenium and tin in environmental samples

International Nuclear Information System (INIS)

Peterson, P.J.; Girling, C.A.; Klumpp, D.W.; Minski, M.J.

1979-01-01

The paper presents an experimental comparison between neutron activation analysis, atomic absorption spectrophotometry and fluorescence spectrophotometry used for the determination of trace amounts of As, Se and Sn and the other two analytical techniques mentioned. Gamma-ray spectrometry has been used to determine 76 As (tsub(1/2)=26.3 h) after 1 day's irradiation at a thermal neutron flux of 1.6x10 12 n.cm -2 .s -1 . High sensitivity was also obtained using an atomic absorption spectrophotometer coupled with covalent hydride generation. Advantages of the latter technique include simplicity of operation, high speed of analysis and negligible background correction. When used in conjuction with selective reduction and a cold-trap this method quantitatively distinguishes between the valence states and some methylated derivatives. Selenium has been analysed by gamma-ray spectrometry using 77 Sesup(m) (tsub(1/2)=17.5 s) after cyclic activation at a thermal neutron flux of 2x10 12 n.cm -2 .s -1 . Atomic absorption spectrophotometry following hydride generation, or fluorescence spectrophotometry of the 2,3 diaminonaphthalene complex constitute additional sensitive analytical methods for the determination of Se. These have the added advantage that valence states can be selectively measured. Low concentrations of Sn have been determined by neutron activation analysis and by spectrophotometric techniques using phenylfluorone as the complexing reagent, but these methods depend on selective extraction of Sn(IV) iodide. Whilst maintaining high sensitivity, these problems were avoided by using the hydride generation technique with an atomic absorption spectrophotometer. Comparative analytical values for Bowen's kale and NBS orchard leaves are presented

Simple analytical technique for liquid scintillation counting of environmental carbon-14 using gel suspension method

International Nuclear Information System (INIS)

Okai, Tomio; Wakabayashi, Genichiro; Nagao, Kenjiro; Matoba, Masaru; Ohura, Hirotaka; Momoshima, Noriyuki; Kawamura, Hidehisa

2000-01-01

A simple analytical technique for liquid scintillation counting of environmental 14 C was developed. Commercially available gelling agent, N-lauroyl-L -glutamic -α,γ-dibutylamide, was used for the gel-formation of the samples (gel suspension method) and for the subsequent liquid scintillation counting of 14 C in the form of CaCO 3 . Our procedure for sample preparation is much simpler than that of the conventional methods and requires no special equipment. Self absorption, stability and reproducibility of gel suspension samples were investigated in order to evaluate the characteristics of the gel suspension method for 14 C activity measurement. The self absorption factor is about 70% and slightly decrease as CaCO 3 weight increase. This is considered to be mainly due to the absorption of β-rays and scintillation light by the CaCO 3 sample itself. No change of the counting rate for the gel suspension sample was observed for more than 2 years after the sample preparation. Four samples were used for checking the reproducibility of the sample preparation method. The same values were obtained for the counting rate of 24 C activity within the counting error. No change of the counting rate was observed for the 're-gelated' sample. These results show that the gel suspension method is appropriate for the 14 C activity measurement by the liquid scintillation counting method and useful for a long-term preservation of the sample for repeated measurement. The above analytical technique was applied to actual environmental samples in Fukuoka prefecture, Japan. Results obtained were comparable with those by other researchers and appear to be reasonable. Therefore, the newly developed technique is useful for the routine monitoring of environmental 14 C. (author)

Serum metabonomics study of the hepatoprotective effect of Corydalis saxicola Bunting on carbon tetrachloride-induced acute hepatotoxicity in rats by (1)H NMR analysis.

Science.gov (United States)

Liang, Yong-Hong; Tang, Chao-Ling; Lu, Shi-Yin; Cheng, Bang; Wu, Fang; Chen, Zhao-Ni; Song, Fangming; Ruan, Jun-Xiang; Zhang, Hong-Ye; Song, Hui; Zheng, Hua; Su, Zhi-Heng

2016-09-10

Corydalis saxicola Bunting (CS), a traditional Chinese folk medicine, has been effectively used for treating liver disease in Zhuang nationality in South China. However, the exact hepatoprotective mechanism of CS was still looking forward to further elucidation by far. In present work, metabonomic study of biochemical changes in the serum of carbon tetrachloride (CCl4)-induced acute liver injury rats after CS treatment were performed using proton nuclear magnetic resonance ((1)H-NMR) analysis. Metabolic profiling by means of principal components analysis (PCA) and partial least squares-discriminate analysis (PLS-DA) indicated that the metabolic perturbation caused by CCl4 was reduced by CS treatment. A total of 9 metabolites including isoleucine (1), lactate (2), alanine (3), glutamine (4), acetone (5), succinate (6), phosphocholine (7), d-glucose (8) and glycerol (9) were considered as potential biomarkers involved in the development of CCl4-induced acute liver injury. According to pathway analysis by metabolites identified and correlation network construction by Pearson's correlation coefficency matrix, alanine, aspartate and glutamate metabolism and glycerolipid metabolism were recognized as the most influenced metabolic pathways associated with CCl4 injury. As a result, notably, deviations of metabolites 1, 3, 4, 7 and 9 in the process of CCl4-induced acute liver injury were improved by CS treatment, which suggested that CS mediated synergistically abnormalities of the metabolic pathways, composed of alanine, aspartate and glutamate metabolism and glycerolipid metabolism. In this study, it was the first report to investigate the hepatoprotective effect of the CS based on metabonomics strategy, which may be a potentially powerful tool to interpret the action mechanism of traditional Chinese folk medicines. Copyright © 2016 Elsevier B.V. All rights reserved.

FEASIBILITY OF INVESTMENT IN BUSINESS ANALYTICS

Directory of Open Access Journals (Sweden)

Mladen Varga

2007-12-01

Full Text Available Trends in data processing for decision support show that business users need business analytics, i.e. analytical applications which incorporate a variety of business oriented data analysis techniques and task-specific knowledge. The paper discusses the feasibility of investment in two models of implementing business analytics: custom development and packed analytical applications. The consequences of both models are shown on two models of business analytics implementation in Croatia.

Atomic and Nuclear Analytical Methods XRF, Mössbauer, XPS, NAA and Ion-Beam Spectroscopic Techniques

CERN Document Server

Verma, H R

2007-01-01

This book is a blend of analytical methods based on the phenomenon of atomic and nuclear physics. It comprises comprehensive presentations about X-ray Fluorescence (XRF), Mössbauer Spectroscopy (MS), X-ray Photoelectron Spectroscopy (XPS), Neutron- Activation Analysis (NAA), Particle Induced X-ray Emission Analysis (PIXE), Rutherford Backscattering Analysis (RBS), Elastic Recoil Detection (ERD), Nuclear Reaction Analysis (NRA), Particle Induced Gamma-ray Emission Analysis (PIGE), and Accelerator Mass Spectrometry (AMS). These techniques are commonly applied in the fields of medicine, biology, environmental studies, archaeology or geology et al. and pursued in major international research laboratories.

Wireless network development for the automatic registration of parameters in laboratories of nuclear analytical techniques

International Nuclear Information System (INIS)

Tincopa, Jean Pierre; Baltuano, Oscar; Bedregal, Patricia

2015-01-01

This paper presents in detail the development of a low-cost wireless network for automatic recording of temperature and relative humidity parameters in the laboratory of nuclear analytical techniques. This prototype has a DHT22 sensor which gives us both parameters with high precision and are automatically read and displayed by a ATmega328P microcontroller. This data is then transmitted through transceivers Xbee Pro S2B forming a mesh network for real time storage using an RTC (Real Time Clock). We present the experimental results obtained in its implementation. (author)

Nuclear analytical methods: Past, present and future

International Nuclear Information System (INIS)

Becker, D.A.

1996-01-01

The development of nuclear analytical methods as an analytical tool began in 1936 with the publication of the first paper on neutron activation analysis (NAA). This year, 1996, marks the 60th anniversary of that event. This paper attempts to look back at the nuclear analytical methods of the past, to look around and to see where the technology is right now, and finally, to look ahead to try and see where nuclear methods as an analytical technique (or as a group of analytical techniques) will be going in the future. The general areas which the author focuses on are: neutron activation analysis; prompt gamma neutron activation analysis (PGNAA); photon activation analysis (PAA); charged-particle activation analysis (CPAA)

Plasma metabolic profiling analysis of toxicity induced by brodifacoum using metabonomics coupled with multivariate data analysis.

Science.gov (United States)

Yan, Hui; Qiao, Zheng; Shen, Baohua; Xiang, Ping; Shen, Min

2016-10-01

Brodifacoum is one of the most widely used rodenticides for rodent control and eradication; however, human and animal poisoning due to primary and secondary exposure has been reported since its development. Although numerous studies have described brodifacoum induced toxicity, the precise mechanism still needs to be explored. Gas chromatography mass spectrometry (GC-MS) coupled with an ultra performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) was applied to characterize the metabolic profile of brodifacoum induced toxicity and discover potential biomarkers in rat plasma. The toxicity of brodifacoum was dose-dependent, and the high-dose group obviously manifested toxicity with subcutaneous hemorrhage. The blood brodifacoum concentration showed a positive relation to the ingestion dose in toxicological analysis. Significant changes of twenty-four metabolites were identified and considered as potential toxicity biomarkers, primarily involving glucose metabolism, lipid metabolism and amino acid metabolism associated with anticoagulant activity, nephrotoxicity and hepatic damage. MS-based metabonomics analysis in plasma samples is helpful to search for potential poisoning biomarkers and to understand the underlying mechanisms of brodifacoum induced toxicity. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

New analytical techniques for traffic management on the basis of system studies in logistics

Directory of Open Access Journals (Sweden)

Олександр Павлович Кіркін

2017-07-01

Full Text Available In today's market conditions, it is necessary for enterprises to constantly maintain their competitiveness. This is achieved through raising customer service standards and use of the latest management techniques. In most cases, enterprises adhere to the logistic principles to optimize production. Over time, however, the development of logistics resulted in emergence of its principal subdivisions: transport, storage, etc. Thus, nowadays there are several parallel methodological developments in the field of logistics and making up logistics chains and systems at different stages of the life cycle of the goods. System research in the field of warehouse logistics showed that the majority of its analytical models of management are based on task conflict. Similar tasks of managing traffic flows in transport logistics are solved by methods of SMO, graph theory, linear programming and differential equations of state etc. These methods are not more accurate than the methods of warehouse logistics, have similar important assumptions and simplifications, and require appropriate mathematical training and knowledge in the field of transport, and sometimes lack visible correlation with economic performance. New analytical techniques for the management of transportation systems based on task conflict will reduce the time and resources for optimization and finding solutions. Methods of warehousing logistics can only be used for the continuous transport quantities (intensity, speed, performance, capacity, execution of works, etc.. In the static condition the search for the optimal service intensity can be found in warehouse logistics. In the study of object in dynamics it is better to use transport approach. Some problems such as supplement of warehouse logistics models with elements of the transport task, are still to be decided

Analytical techniques and method validation for the measurement of selected semivolatile and nonvolatile organofluorochemicals in air.

Science.gov (United States)

Reagen, William K; Lindstrom, Kent R; Thompson, Kathy L; Flaherty, John M

2004-09-01

The widespread use of semi- and nonvolatile organofluorochemicals in industrial facilities, concern about their persistence, and relatively recent advancements in liquid chromatography/mass spectrometry (LC/MS) technology have led to the development of new analytical methods to assess potential worker exposure to airborne organofluorochemicals. Techniques were evaluated for the determination of 19 organofluorochemicals and for total fluorine in ambient air samples. Due to the potential biphasic nature of most of these fluorochemicals when airborne, Occupational Safety and Health Administration (OSHA) versatile sampler (OVS) tubes were used to simultaneously trap fluorochemical particulates and vapors from workplace air. Analytical methods were developed for OVS air samples to quantitatively analyze for total fluorine using oxygen bomb combustion/ion selective electrode and for 17 organofluorochemicals using LC/MS and gas chromatography/mass spectrometry (GC/MS). The experimental design for this validation was based on the National Institute of Occupational Safety and Health (NIOSH) Guidelines for Air Sampling and Analytical Method Development and Evaluation, with some revisions of the experimental design. The study design incorporated experiments to determine analytical recovery and stability, sampler capacity, the effect of some environmental parameters on recoveries, storage stability, limits of detection, precision, and accuracy. Fluorochemical mixtures were spiked onto each OVS tube over a range of 0.06-6 microg for each of 12 compounds analyzed by LC/MS and 0.3-30 microg for 5 compounds analyzed by GC/MS. These ranges allowed reliable quantitation at 0.001-0.1 mg/m3 in general for LC/MS analytes and 0.005-0.5 mg/m3 for GC/MS analytes when 60 L of air are sampled. The organofluorochemical exposure guideline (EG) is currently 0.1 mg/m3 for many analytes, with one exception being ammonium perfluorooctanoate (EG is 0.01 mg/m3). Total fluorine results may be used

Workplace and occupational health: The first metal evaluation using nuclear and analytical techniques in the State of Minas Gerais, Brazil

Energy Technology Data Exchange (ETDEWEB)

Barros Correia Menezes, M.A. de; Vilhena Schayer Sabino, C de [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN), Comissao Nacional de Energia Nuclear (CNEN), Sector de Radioquimica, Belo Horizonte, Minas Gerais (Brazil); Melo Mattos, S.V. de [FUNED, Divisao de Bromatologia e Toxicologia, Servico de Quimica Especializada, Belo Horizonte, MG (Brazil); Santos Filho, S [Secretaria Minicipal de Saude de Belo Horizonte, Belo Horizonte, MG (Brazil); Diniz, E [FUNDACENTRO/BH, Belo Horizonte, MG (Brazil)

1999-12-31

Belo Horizonte, the capital of the State of Minas Gerais and its neighbourhood are the second industrial center of Brazil, concentrating many industries in several areas mainly metal refining and transformation. There are no registers about the level of metal concentration in the environmental air in the industry, nor even of the level of workers` contamination. The overall objective of this Project is to make a survey of the exposures to metals related to occupational diseases in galvanizing industry, which is responsible for the majority of occurrences of occupational diseases. The survey will be accomplished using as bio-indicators hair, nails, blood, urine, and individual air filters. These matrixes will indicate the incorporation of metals and the exposure level. The analytical techniques that will be applied are the neutron activation joined to related non nuclear analytical techniques, such as atomic absorption. (author) 7 refs, 2 tabs

Use of the analytical tree technique to develop a radiological protection program

International Nuclear Information System (INIS)

Domenech N, H.; Jova S, L.

1996-01-01

The results obtained by the Cuban Center for Radiological Protection and Hygiene by using an analytical tree technique to develop its general operational radiation protection program are presented. By the application of this method, some factors such as the organization of the radiation protection services, the provision of administrative requirements, the existing general laboratories requirements, the viability of resources and the current documentation was evaluated. Main components were considered such as: complete normative and regulatory documentation; automatic radiological protection data management; scope of 'on the-job'and radiological protection training for the personnel; previous radiological appraisal for the safety performance of the works and application of dose constrains for the personnel and the public. The detailed development of the program allowed to identify the basic aims to be achieved in its maintenance and improvement. (authors). 3 refs

Spatial Game Analytics and Visualization

DEFF Research Database (Denmark)

Drachen, Anders; Schubert, Matthias

2013-01-01

, techniques for spatial analysis had their share in these developments. However, the methods for analyzing and visualizing spatial and spatio-temporal patterns in player behavior being used by the game industry are not as diverse as the range of techniques utilized in game research, leaving room...... for a continuing development. This paper presents a review of current work on spatial and spatio-temporal game analytics across industry and research, describing and defining the key terminology, outlining current techniques and their application. We summarize the current problems and challenges in the field......The recently emerged field of game analytics and the development and adaptation of business intelligence techniques to support game design and development has given data-driven techniques a direct role in game development. Given that all digital games contain some sort of spatial operation...

Analytical techniques and quality control in biomedical trace element research

DEFF Research Database (Denmark)

Heydorn, K.

1994-01-01

The small number of analytical results in trace element research calls for special methods of quality control. It is shown that when the analytical methods are in statistical control, only small numbers of duplicate or replicate results are needed to ascertain the absence of systematic errors....../kg. Measurement compatibility is obtained by control of traceability to certified reference materials, (C) 1994 Wiley-Liss, Inc....

Deriving Earth Science Data Analytics Requirements

Science.gov (United States)

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.

[Clinical Application of Analytical and Medical Instruments Mainly Using MS Techniques].

Science.gov (United States)

Tanaka, Koichi

2016-02-01

Analytical instruments for clinical use are commonly required to confirm the compounds and forms related to diseases with the highest possible sensitivity, quantitative performance, and specificity and minimal invasiveness within a short time, easily, and at a low cost. Advancements of technical innovation for Mass Spectrometer (MS) have led to techniques that meet such requirements. Besides confirming known substances, other purposes and advantages of MS that are not fully known to the public are using MS as a tool to discover unknown phenomena and compounds. An example is clarifying the mechanisms of human diseases. The human body has approximately 100 thousand types of protein, and there may be more than several million types of protein and their metabolites. Most of them have yet to be discovered, and their discovery may give birth to new academic fields and lead to the clarification of diseases, development of new medicines, etc. For example, using the MS system developed under "Contribution to drug discovery and diagnosis by next generation of advanced mass spectrometry system," one of the 30 projects of the "Funding Program for World-Leading Innovative R&D on Science and Technology" (FIRST program), and other individual basic technologies, we succeeded in discovering new disease biomarker candidates for Alzheimer's disease, cancer, etc. Further contribution of MS to clinical medicine can be expected through the development and improvement of new techniques, efforts to verify discoveries, and communications with the medical front.

Study on serum metabonomics of rats exposed to low-dose ionizing radiation, carbon monoxide, benzene and noise

Directory of Open Access Journals (Sweden)

Qing-rong WANG

2015-07-01

Full Text Available Objective　To investigate the combined effects of low-dose ionizing radiation, carbon monoxide, benzene and noise on serum metabolites and the mechanism of injury induced by these complex environmental factors in rats. Methods 　Sixteen adult SD rats were randomly divided into control group and exposed group (8 each. The exposed group received the combined effect every day for 7 days. At the end of experiment, sera were collected from the abdominal aorta of rats. The metabolic fingerprint of serum was obtained by 1H nuclear magnetic resonance (1H NMR spectroscopy and determined with pattern recognition techniques of principal component analysis (PCA and orthogonal signal correction-partial least squares (OSC-PLS. The similarities and differences in metabolic profiles between two groups were visualized by SIMCA-P software. Results　The rat serum 1H NMR spectra revealed different metabolic spectra between the control group and exposed group. The OSC-PLS plots of the serum samples presented respectively marked clustering between the two groups. Compared with the control group, the contents of lipid, high density lipoprotein, glycine/glucose, N-acetyl glycoprotein 1, N-acetyl glycoprotein 2, phosphatidyl choline and unsaturated fatty acid increased, while those of lactic acid, threonine/lipid, alanine, creatine, glycerylphosphorylcholine/ trimethylamine oxide, low density lipoprotein/high density lipoprotein, low density lipoprotein, very low density lipoprotein/ low density lipoprotein, very low density lipoprotein and saturated fatty acid decreased. Conclusions　Combination of low-dose ionizing radiation, carbon monoxide, benzene and noise could induce changes of serum metabolites in rats, involving in immune function, renal function and energy metabolism. The NMR-based-metabonomics method has potential of application in research on combined biological effects of the complex environmental factors. DOI: 10.11855/j.issn.0577-7402.2015.07.09

Biomimetic polymers in analytical chemistry. Part 1: preparation and applications of MIP (Molecularly Imprinted Polymers) in extraction and separation techniques

International Nuclear Information System (INIS)

Tarley, Cesar Ricardo Teixeira; Sotomayor, Maria del Pilar Taboada; Kubota, Lauro Tatsuo

2005-01-01

MIPs are synthetic polymers that are used as biomimetic materials simulating the mechanism verified in natural entities such as antibodies and enzymes. Although MIPs have been successfully used as an outstanding tool for enhancing the selectivity or different analytical approaches, such as separation science and electrochemical and optical sensors, several parameters must be optimized during their synthesis. Therefore, the state-of-the-art of MIP production as well as the different polymerization methods are discussed. The potential selectivity of MIPs in the extraction and separation techniques focusing mainly on environmental, clinical and pharmaceutical samples as applications for analytical purposes is presented. (author)

Facility and application of nuclear and supplementary analytical techniques at Dalat Nuclear Research Institute

International Nuclear Information System (INIS)

Nguyen Mong Sinh; Ho Manh Dung; Nguyen Thanh Binh

2006-01-01

The main applications of the nuclear and supplementary analytical techniques (N and SATs) in the Dalat Nuclear Research Institute (DNRI) and the facilities for the techniques are presented. The NATs in DNRI include the neutron activation analysis (NAA) with instrumental, radiochemical and prompt gamma methods (INAA, RNAA, PGNAA), the X-ray fluorescence analysis (XRFA) and the low-level counting and spectrometry. The sample irradiation sites for NAA, the automatic and manual pneumatic transfer systems, were installed at channels 7-1 and 13-2 and rotary rack on the Dalat research reactor. An ORTEC automatic sample changer (model ASC2) for γ-ray counting was equipped. A computer software for NAA based on the k 0 -standardization method for calculation of elemental concentration was developed. The low-level counting and spectrometry techniques have been setup. The devices required for sampling, sample preparation and data processing have also been equipped. The applications of N and SATs for determination of elemental composition, particularly important in providing data so-called trace elements, radionuclides and multi-element have been enlarged for objects of geology, archaeology, bio-agriculture, health-nutrition and environment. The implementation a quality system for N and SATs has been planned and initiated. (author)

Determination of Rare Earth Elements in Thai Monazite by Inductively Coupled Plasma and Nuclear Analytical techniques

International Nuclear Information System (INIS)

Busamongkol, Arporn; Ratanapra, Dusadee; Sukharn, Sumalee; Laoharojanaphand, Sirinart

2003-10-01

The inductively coupled plasma atomic emission spectroscopy (ICP-AES) for the determination of individual rare-earth elements (REE) was evaluated by comparison with instrumental neutron activation analysis (INAA) and x-ray fluorescence spectrometry (XRF). The accuracy and precision of INAA and ICP-AES were evaluated by using standard reference material IGS-36, a monazite concentrate. For INAA, the results were close to the certified value while ICP-AES were in good agreement except for some low concentration rare earth. The techniques were applied for the analysis of some rare earth elements in two Thai monazite samples preparing as the in-house reference material for the Rare Earth Research and Development Center, Chemistry Division, Office of Atoms for Peace. The analytical results obtained by these techniques were in good agreement with each other

Metabonomics-Based Study of Clinical Urine Samples in Suboptimal Health with Different Syndromes

Directory of Open Access Journals (Sweden)

Hai-Zhen Cui

2013-01-01

Full Text Available Objective. To explore the urinary biochemistry features of syndromes of traditional Chinese medicine (TCM such as syndrome of stagnation of liver Qi, spleen deficiency, liver Qi stagnation, and spleen deficiency (LSSDS in sub-optimal health status (SHS. Methods. 12 cases for each syndrome group in SHS were selected, 12 subjects were used as a normal control group, and 1H NMR detection was, respectively, carried out, and the data was corrected by the orthogonal signal correction (OSC and then adopted a partial least squares (PLS method for discriminate analysis. Results. The OSC-PLS (ctr analysis results of the nuclear overhauser enhancement spectroscopy (NOESY detection indicated that the syndromes in SHS could be differentiated, and there were significant differences in the levels of metabolites of the urine samples of the four groups; the biomarkers of LSSDS in SHS were found out. The contents of citric acid (2.54 and 2.66, trimethylamineoxide (3.26, and hippuric acid (3.98, 7.54, 7.58, 7.62, 7.66, 7.82, and 7.86 in the urine samples of LSSDS group were lower than that of the normal control group. Conclusion. There are differences in the 1H-NMR metabolic spectrum of the urine samples of the four groups, and the specific metabolic products of the LSSDS in SHS can be identified from metabonomics analysis.

Automated Predictive Big Data Analytics Using Ontology Based Semantics.

Science.gov (United States)

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.

Inductively coupled plasma-atomic emission spectrometry: analytical assessment of the technique at the beginning of the 90's

International Nuclear Information System (INIS)

Sanz-Medel, A.

1991-01-01

The main application of the inductively coupled plasma (ICP) today is in atomic emission spectroscopy (AES), as an excitation spectrochemical source, although uses of an ICP for fluorescence as just an atomizer, and specially for mass spectrometry, as an ionization source, are rocketing in the last few years. Since its inception, only a quarter of a century ago, ICP-AES has rapidly evolved to one of the preferred routine analytical techniques for convenient determination of many elements with high speed, at low levels and in the most varied samples. Perhaps its comparatively high kinetic temperature (capable of atomizing virtually every compound of any sample), its high excitation and ionization temperatures, and its favourable spatial structure at the core of the ICP success. By now, the ICP-AES can be considered as having achieved maturity in that a huge amount of analytical problems can be tackled with this technique, while no major or fundamental changes have been adopted for several years. Despite this fact, important driving forces are still in operation to further improve the ICP-AES sensitivity, selectivity, precision, sample throughput, etc. Moreover, proposals to extend the scope of the technique to traditionally elusive fields (e.g. non-metals and organic compound analysis) are also appearing in the recent literature. In this paper the 'state of the art', the last developments and the expectations in trying to circumvent the limitations of the ICP-AES (on the light of literature data and personal experience) are reviewed. (author)

Social Data Analytics Using Tensors and Sparse Techniques

Science.gov (United States)

Zhang, Miao

2014-01-01

The development of internet and mobile technologies is driving an earthshaking social media revolution. They bring the internet world a huge amount of social media content, such as images, videos, comments, etc. Those massive media content and complicate social structures require the analytic expertise to transform those flood of information into…

Analytical techniques for in-line/on-line monitoring of uranium and plutonium in process solutions : a brief literature survey

International Nuclear Information System (INIS)

Marathe, S.G.; Sood, D.D.

1991-01-01

In-line/on-line monitoring of various parameters such as uranium-plutonium-fission product concentration, acidity, density etc. plays an important role in quickly understanding the efficiency of processes in a reprocessing plant. Efforts in studying and installation of such analytical instruments are going on since more than three decades with adaptation of newer methods and technologies. A review on the developement of in-line analytical instrumentation was carried out in this laboratory about two decades ago. This report presents a very short literature survey of the work in the last two decades. The report includes an outline of principles of the main techniques employed in the in-line/on-line monitoring. (author). 77 refs., 6 tabs

Metabonomics Approach to Assessing the Metabolism Variation and Endoexogenous Metabolic Interaction of Ginsenosides in Cold Stress Rats.

Science.gov (United States)

Zhang, Zhihao; Wang, Xiaoyan; Wang, Jingcheng; Jia, Zhiying; Liu, Yumin; Xie, Xie; Wang, Chongchong; Jia, Wei

2016-06-03

Metabolic profiling technology, a massive information provider, has promoted the understanding of the metabolism of multicomponent medicines and its interactions with endogenous metabolites, which was previously a challenge in clarification. In this study, an untargeted GC/MS-based approach was employed to investigate the urinary metabolite profile in rats with oral administration of ginsenosides and the control group. Significant changes of urinary metabolites contents were observed in the total ginsenosides group, revealing the impact of ginsenosides as indicated by the up- or down-regulation of several pathways involving neurotransmitter-related metabolites, tricarboxylic acid (TCA) cycle, fatty acids β-oxidation, and intestinal microflora metabolites. Meanwhile, a targeted UPLC-QQQ/MS-based metabonomic approach was developed to investigate the changes of urinary ginsenoside metabolites during the process of acute cold stress. Metabolic analysis indicated that upstream ginsenosides (rg1, re, and rf) increased significantly, whereas downstream ginsenosides (ck, ppd, and ppt) decreased correspondingly after cold exposure. Finally, the relationships between ginsenosides and significantly changed metabolites were investigated by correlation analysis.

Optical trapping for analytical biotechnology.

Science.gov (United States)

Ashok, Praveen C; Dholakia, Kishan

2012-02-01

We describe the exciting advances of using optical trapping in the field of analytical biotechnology. This technique has opened up opportunities to manipulate biological particles at the single cell or even at subcellular levels which has allowed an insight into the physical and chemical mechanisms of many biological processes. The ability of this technique to manipulate microparticles and measure pico-Newton forces has found several applications such as understanding the dynamics of biological macromolecules, cell-cell interactions and the micro-rheology of both cells and fluids. Furthermore we may probe and analyse the biological world when combining trapping with analytical techniques such as Raman spectroscopy and imaging. Copyright © 2011 Elsevier Ltd. All rights reserved.

Regional technical cooperation model project, IAEA - RER/2/2004 ''quality control and quality assurance for nuclear analytical techniques'

International Nuclear Information System (INIS)

Arikan, P.

2002-01-01

An analytical laboratory should produce high quality analytical data through the use of analytical measurements that is accurate, reliable and adequate for the intended purpose. This objective can be accomplished in a cost-effective manner under a planned and documented quality system of activities. It is well-known that serious deficiencies can occur in laboratory operations when insufficient attention is given to the quality of the work. It requires not only a thorough knowledge of the laboratory's purpose and operation, but also the dedication of the management and operating staff to standards of excellence. Laboratories employing nuclear and nuclear-related analytical techniques are sometimes confronted with performance problems which prevent them from becoming accepted and respected by clients, such as industry, government and regulatory bodies, and from being eligible for contracts. The International Standard ISO 17025 has been produced as the result of extensive experience in the implementation of ISO/IEC Guide 25:1990 and EN 45001:1989, which replaces both of them now. It contains all of the requirements that testing and calibration laboratories must meet if they wish to demonstrate that they operate a quality system that is technically competent, and are able to generate technically valid results. The use of ISO 17025 should facilitate cooperation between laboratories and other bodies to assist in the exchange of information and experience, and in the harmonization of standards and procedures. IAEA model project RER/2/004 entitled 'Quality Assurance/Quality Control in Nuclear Analytical Techniques' was initiated in 1999 as a Regional TC project in East European countries to assist Member State laboratories in the region to install a complete quality system according to the ISO/IEC 17025 standard. 12 laboratories from 11 countries plus the Agency's Laboratories in Seibersdorf have been selected as participants to undergo exercises and training with the

On numerical-analytic techniques for boundary value problems

Czech Academy of Sciences Publication Activity Database

Rontó, András; Rontó, M.; Shchobak, N.

2012-01-01

Roč. 12, č. 3 (2012), s. 5-10 ISSN 1335-8243 Institutional support: RVO:67985840 Keywords : numerical-analytic method * periodic successive approximations * Lyapunov-Schmidt method Subject RIV: BA - General Mathematics http://www.degruyter.com/view/j/aeei.2012.12.issue-3/v10198-012-0035-1/v10198-012-0035-1.xml?format=INT

Proceedings of the BRNS-AEACI first symposium on current trends in analytical chemistry: book of abstracts

International Nuclear Information System (INIS)

Reddy, A.V.R.

2015-01-01

The symposium was very useful for the scientists on various aspects of current trends in analytical chemistry like separation science, speciation, nuclear analytical techniques, thermo analytical techniques, electro analytical techniques, spectrochemical and microscopic techniques, environmental studies, geochemical studies, chemical metrology, analytical instrumentation. Papers relevant to INIS are indexed separately

A 1HNMR-Based Metabonomics Study of Postmenopausal Osteoporosis and Intervention Effects of Er-Xian Decoction in Ovariectomized Rats

Directory of Open Access Journals (Sweden)

Luping Qin

2011-11-01

Full Text Available A metabonomics method using 1H nuclear magnetic resonance spectroscopy (1HNMR was applied to obtain a systematic view of the development and progression of postmenopausal osteoporosis. Using partial least squares discriminant analysis (PLS-DA, 26 and 34 characteristic resonances were found respectively in urine and plasma of ovariectomized rats (Variable importance, VIP value ≥1.0, and the significant altered metabolites identified in the plasma and urine were 10 and 9, respectively. Changes in these metabolites were related to the pathways of lipid, energy and amino acid metabolism, some of which involved the oxidative system. The described method was also used to analyze the therapeutic effects of Er-Xian Decoction (EXD, a traditional Chinese medicine widely used in the clinical treatment of osteoporosis in China. The results showed that EXD administration could provide satisfactory effects on osteoporosis through partially regulating the perturbed pathways of lipid, energy and amino acid metabolism and improving the anti-oxidative ability.

Determination of alpha-naphthol by an oscillating chemical reaction using the analyte pulse perturbation technique

International Nuclear Information System (INIS)

Yang Wu; Sun Kanjun; Lv Weilian; Bo Lili; He Xiaoyan; Suo Nan; Gao Jinzhang

2005-01-01

An analytical method for the determination of alpha-naphthol (α-NP) is proposed by the sequential perturbation caused by different amounts of alpha-naphthol on the oscillating chemical system involving the Cu(II)-catalyzed oscillating reaction between hydrogen peroxide and sodium thiocyanate in an alkaline medium with the aid of continuous-flow stirred tank reactor (CSTR). The method relies on the linear relationship between the changes in the oscillation amplitude of the chemical system and the concentration of alpha-naphthol. The use of the analyte pulse perturbation technique permits sequential determinations in the same oscillating system owing to the expeditiousness with which the steady state is regained after each perturbation. The calibration curve obeys a linear equation very well when the concentration of alpha-naphthol is over the range 0.034-530 umol/L (r = 0.9991). Influences of temperature, injection points, flow rate and reaction variables on the oscillating system are investigated in detail and the possible mechanism of action of alpha-naphthol to the chemical oscillating system is also discussed. The method has been successfully used for the determination of α-naphthol in carbaryl hydrolysates

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

Science.gov (United States)

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.

Complementarities of nuclear-based analytical techniques for the characterization of thin film technological materials

International Nuclear Information System (INIS)

Bamford, Samuel; Kregsamer, Peter; Fazinic, Stjepko; Jaksic, Milko; Wegrzynek, Dariusz; Chinea-Cano, Ernesto; Markowicz, Andrzej

2007-01-01

Two thin film technological materials (A/B) from the aerospace industry have been characterized for their elemental composition, for the purpose of determining their purity and trace element distribution. The results contribute to the assessment of the materials' suitability as part of a spacecraft's thermal hardware. Analysis was done using a combination of PIXE/RBS and energy dispersive X-ray fluorescence (EDXRF) analytical techniques. Samples of the materials were analyzed with PIXE/RBS system using 2 MeV proton beam from a 1 MV Tandetron accelerator and also with separate EDXRF systems employing Am-241 and Mo-secondary target as excitation sources. PIXE/RBS measurements enabled identification of the elemental composition and elucidation of the layer structure of the materials. From the PIXE/RBS results, Am-241-excited EDXRF technique was selected for quantitative determination of indium (In) and tin (Sn) by their K-X-rays, after reasonable absorption corrections. A comparison has been made of the results obtained from EDXRF and PIXE/RBS. Material A has been found to be a thin film with three layers, while material B is a thin film comprised of four layers. Thicknesses and compositions (including trace elements) of all layers have been determined. The limitation of EDXRF in the analysis of inhomogeneously distributed elements was overcome by using PIXE/RBS as an appropriate complimentary technique

4. Danish symposium in analytical chemistry

International Nuclear Information System (INIS)

1996-01-01

At the 4th Danish Symposium of Analytical Chemistry 11 lectures and 32 posters were presented during two session days on the 20 and 21 August 1996. Various analytical techniques were discussed for foodstuff, pesticide, pharmaceutical, industrial and other analyses. (EG)

Comparison of nuclear analytical methods with competitive methods

International Nuclear Information System (INIS)

1987-10-01

The use of nuclear analytical techniques, especially neutron activation analysis, already have a 50 year old history. Today several sensitive and accurate, non-nuclear trace element analytical techniques are available and new methods are continuously developed. The IAEA is supporting the development of nuclear analytical laboratories in its Member States. In order to be able to advise the developing countries which methods to use in different applications, it is important to know the present status and development trends of nuclear analytical methods, what are their benefits, drawbacks and recommended fields of application, compared with other, non-nuclear techniques. In order to get an answer to these questions the IAEA convened this Advisory Group Meeting. This volume is the outcome of the presentations and discussions of the meeting. A separate abstract was prepared for each of the 21 papers. Refs, figs, tabs

Role of modern analytical techniques in the production of uranium metal

International Nuclear Information System (INIS)

Hareendran, K.N.; Roy, S.B.

2009-01-01

Production of nuclear grade uranium metal conforming to its stringent specification with respect to metallic and non metallic impurities necessitates implementation of a comprehensive quality control regime. Founding members of Uranium Metal Plant realised the importance of this aspect of metal production and a quality control laboratory was set up as part of the production plant. In the initial stages of its existence, the laboratory mainly catered to the process control analysis of the plant process samples and Spectroscopy Division and Analytical Division of BARC provided analysis of trace metallic impurities in the intermediates as well as in the product uranium metal. This laboratory also provided invaluable R and D support for the optimization of the process involving both calciothermy and magnesiothermy. Prior to 1985, analytical procedures used were limited to classical methods of analysis with minimal instrumental procedures. The first major analytical instrument, a Flame AAS was installed in 1985 and a beginning to the trace analysis was made. However during the last 15 years the Quality Control Section has modernized the analytical set up by acquiring appropriate instruments. Presently the facility has implemented a complete quality control and quality assurance program required to cover all aspects of uranium metal production viz analysis of raw materials, process samples, waste disposal samples and also determination of all the specification elements in uranium metal. The current analytical practices followed in QCS are presented here

An Analytical Technique to Determine the Potential for Moisture Accumulation in Deactivated Structures

International Nuclear Information System (INIS)

MINICHAN, RL

2004-01-01

This paper describes an analytical technique developed to predict an order of magnitude volume of moisture accumulation in massive structures after deactivation. This work was done to support deactivation of a Department of Energy nuclear materials processing facility. The structure is a four-story, concrete building with a rectangular footprint that is approximately 250m long by 37m wide by 22m high. Its walls are 1.2m thick. The building will be supplied with unconditioned ventilation air after deactivation. The objective of the work was to provide a cost effective engineering evaluation to determine if the un-conditioned ventilation air would result in condensate accumulating inside the building under study. The analysis described is a simple representation of a complex problem. The modeling method is discussed in sufficient detail to allow its application to the study of similar structures

Multispectral analytical image fusion

International Nuclear Information System (INIS)

Stubbings, T.C.

2000-04-01

With new and advanced analytical imaging methods emerging, the limits of physical analysis capabilities and furthermore of data acquisition quantities are constantly pushed, claiming high demands to the field of scientific data processing and visualisation. Physical analysis methods like Secondary Ion Mass Spectrometry (SIMS) or Auger Electron Spectroscopy (AES) and others are capable of delivering high-resolution multispectral two-dimensional and three-dimensional image data; usually this multispectral data is available in form of n separate image files with each showing one element or other singular aspect of the sample. There is high need for digital image processing methods enabling the analytical scientist, confronted with such amounts of data routinely, to get rapid insight into the composition of the sample examined, to filter the relevant data and to integrate the information of numerous separate multispectral images to get the complete picture. Sophisticated image processing methods like classification and fusion provide possible solution approaches to this challenge. Classification is a treatment by multivariate statistical means in order to extract analytical information. Image fusion on the other hand denotes a process where images obtained from various sensors or at different moments of time are combined together to provide a more complete picture of a scene or object under investigation. Both techniques are important for the task of information extraction and integration and often one technique depends on the other. Therefore overall aim of this thesis is to evaluate the possibilities of both techniques regarding the task of analytical image processing and to find solutions for the integration and condensation of multispectral analytical image data in order to facilitate the interpretation of the enormous amounts of data routinely acquired by modern physical analysis instruments. (author)

Degradation of glass artifacts: application of modern surface analytical techniques.

Science.gov (United States)

Melcher, Michael; Wiesinger, Rita; Schreiner, Manfred

2010-06-15

A detailed understanding of the stability of glasses toward liquid or atmospheric attack is of considerable importance for preserving numerous objects of our cultural heritage. Glasses produced in the ancient periods (Egyptian, Greek, or Roman glasses), as well as modern glass, can be classified as soda-lime-silica glasses. In contrast, potash was used as a flux in medieval Northern Europe for the production of window panes for churches and cathedrals. The particular chemical composition of these potash-lime-silica glasses (low in silica and rich in alkali and alkaline earth components), in combination with increased levels of acidifying gases (such as SO(2), CO(2), NO(x), or O(3)) and airborne particulate matter in today's urban or industrial atmospheres, has resulted in severe degradation of important cultural relics, particularly over the last century. Rapid developments in the fields of microelectronics and computer sciences, however, have contributed to the development of a variety of nondestructive, surface analytical techniques for the scientific investigation and material characterization of these unique and valuable objects. These methods include scanning electron microscopy in combination with energy- or wavelength-dispersive spectrometry (SEM/EDX or SEM/WDX), secondary ion mass spectrometry (SIMS), and atomic force microscopy (AFM). In this Account, we address glass analysis and weathering mechanisms, exploring the possibilities (and limitations) of modern analytical techniques. Corrosion by liquid substances is well investigated in the glass literature. In a tremendous number of case studies, the basic reaction between aqueous solutions and the glass surfaces was identified as an ion-exchange reaction between hydrogen-bearing species of the attacking liquid and the alkali and alkaline earth ions in the glass, causing a depletion of the latter in the outermost surface layers. Although mechanistic analogies to liquid corrosion are obvious, atmospheric

Role of analytical chemistry in environmental monitoring

International Nuclear Information System (INIS)

Kayasth, S.; Swain, K.

2004-01-01

Basic aspects of pollution and the role of analytical chemistry in environmental monitoring are highlighted and exemplified, with emphasis on trace elements. Sources and pathways of natural and especially man-made polluting substances as well as physico-chemical characteristics are given. Attention is paid to adequate sampling in various compartments of the environment comprising both lithosphere and biosphere. Trace analysis is dealt with using a variety of analytical techniques, including criteria for choice of suited techniques, as well as aspects of analytical quality assurance and control. Finally, some data on trace elements levels in soil and water samples from India are presented. (author)

Metabonomics study of the therapeutic mechanism of fenugreek galactomannan on diabetic hyperglycemia in rats, by ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Jiang, Wenyue; Gao, Lu; Li, Pengdong; Kan, Hong; Qu, Jiale; Men, Lihui; Liu, Zhiqiang; Liu, Zhongying

2017-02-15

Fenugreek is a traditional plant for the treatment of diabetes. Galactomannan, an active major component in fenugreek seeds, has shown hypoglycemic activity. The present study was performed to investigate the therapeutic mechanism underlying fenugreek galactomannan (F-GAL) in treating diabetes, using a metabonomics approach based on ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-QTOF/MS). The F-GAL used for study was highly purified, and its yield, purity, and galactose/mannose ratio were characterized by capillary zone electrophoresis (CZE) and a modified phenol-sulfuric acid method. After treatment of streptozotocin (STZ)-induced diabetic rats with F-GAL for 28days, urine and serum samples were analyzed by UPLC-QTOF/MS. Multivariate statistical approaches such as principal component analysis (PCA) and orthogonal projection to latent structures squares-discriminant analysis (OPLS-DA) were applied to distinguish the non-diabetic/untreated, diabetic/untreated, and diabetic/F-GAL-treated groups. Then, potential biomarkers were identified that may help elucidate the underlying therapeutic mechanism of F-GAL in diabetes. The results demonstrated that there was a clear separation among the three groups in the PCA model. Fourteen potential biomarkers were identified by OPLS-DA, and they were determined to be produced in response to the therapeutic effects of F-GAL. These biomarkers were involved in histidine metabolism, tryptophan metabolism, energy metabolism, phenylalanine metabolism, sphingolipid metabolism, glycerophospholipid metabolism, and arachidonic acid metabolism. In conclusion, our study demonstrates that a metabonomics approach is a powerful, novel tool that can be used to evaluate the underlying therapeutic mechanisms of herb extracts. Copyright © 2016 Elsevier B.V. All rights reserved.

Differences of Excess and Deficiency Zheng in Patients with Chronic Hepatitis B by Urinary Metabonomics

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Shujun Sun

2013-01-01

Full Text Available Traditional Chinese medicine (TCM physicians stratify patients with the same disease into different subtypes in order to guide the appropriate treatment, which is called Zheng (TCM syndrome classification. Excess and deficiency ZHENG is a couple of basic ZHENGs of maladjusted body nature, reflecting the struggling state of human body and pathogenic factor and is important and prevalently exists in the ZHENG classification of many diseases. The present work using chronic hepatitis B (CHB as an entry point explored the substance connotation of excess and deficiency ZHENG with the metabonomic technology based on gas chromatography-mass spectrometry (GC-MS. The different substantial basis of two ZHENGs suggested that CHB patients could be categorized into two groups with diverse pathogenesis. The differential metabolites and disturbed pathways compared to not-obvious ZHENG characters patients (without ZHENG group/WZ were selected in both of the two ZHENGs. The ROC analysis demonstrated that five metabolites had a greater potential to be the clinic biomarkers of EZ or DZ. And excess ZHENG revealed a higher level of immune function than deficiency ZHENG. We are eager to transform the concept of traditional excess and deficiency ZHENGs to modern therapeutic approaches, with the prospect to help to promote personalized medicine.

Understanding the metabolic fate and assessing the biosafety of MnO nanoparticles by metabonomic analysis

International Nuclear Information System (INIS)

Li, Jinquan; Feng, Jianghua; Chen, Zhong; Zhao, Zhenghuan; Gao, Jinhao

2013-01-01

Recently, some types of MnO nanoparticle (Mn-NP) with favorable imaging capacity have been developed to improve the biocompatible profile of the existing Mn-based MRI contrast agent Mn-DPDP; however, the overall bio-effects and potential toxicity remain largely unknown. In this study, 1 H NMR-based metabolic profiling, integrated with traditional biochemical analysis and histopathological examinations, was used to investigate the absorption, distribution, metabolism, excretion and toxicity of Mn-NPs as candidates for MRI contrast agent. The metabolic responses in biofluids (plasma and urine) and tissues (liver, spleen, kidney, lung and brain) from rats could be divided into four classes following Mn-NP administration: Mn biodistribution-dependent, time-dependent, dose-dependent and complicated metabolic variations. The variations of these metabolites involved in lipid, energy, amino acid and other nutrient metabolism, which disclosed the metabolic fate and biological effects of Mn-NPs in rats. The changes of metabolic profile implied that the disturbance and impairment of biological functions induced by Mn-NP exposure were correlated with the particle size and the surface chemistry of nanoparticles. Integration of metabonomic technology with traditional methods provides a promising tool to understand the toxicological behavior of biomedical nanomaterials and will result in informed decision-making during drug development. (paper)

The investigation of anti-inflammatory activity of Yi Guanjian decoction by serum metabonomics approach.

Science.gov (United States)

Shui, Sufang; Cai, Xiaorong; Huang, Rongqing; Xiao, Bingkun; Yang, Jianyun

2017-01-30

Yi Guanjian (YGJ), one of the Chinese herbal medicines most commonly used in western countries, reported to possess significant anti-inflammatary effects that inhibit the process of inflammation. However, the mechanisms underlying its anti-inflammation effects remain largely unresolved. This study was aimed to investigate the anti-inflammatory activity of YGJ and to explore its potential anti-inflammatory mechanisms by serum metabonomics approach. An xylene-induced mouse right-ear-edema model was used as an inflammatory response in vivo model. Ear edema, prostaglandin E2 (PGE 2 ) and Tumor-Necrosis-Factor-alpha (TNF-α) were detected. Then, serum metabolic profiling was analyzed and pathway analysis performed on the biomarkers reversed after YGJ administration and further integration of metabolic networks. The results showed that YGJ alleviated ear edema and decreased serum PGE 2 and TNF-α levels. Fourteen biomarkers were screened, and the levels were all reversed to different degrees after YGJ administration. These biomarkers were mainly related to linoleic acid metabolism, taurine and hypotaurine metabolism, glyoxylate and dicarboxylate metabolism, glycine, serine and threonine metabolism and citrate cycle (TCA cycle). In metabolic networks, glycine and pyruvate were node molecules. This indicated that YGJ could significantly inhibit inflammatory response triggered by acute local stimulation and exerted anti-inflammatory activity mainly by regulating node molecules. Copyright © 2016 Elsevier B.V. All rights reserved.

Data Analytics in CRM Processes: A Literature Review

Directory of Open Access Journals (Sweden)

Gončarovs Pāvels

2017-12-01

Full Text Available Nowadays, the data scarcity problem has been supplanted by the data deluge problem. Marketers and Customer Relationship Management (CRM specialists have access to rich data on consumer behaviour. The current challenge is effective utilisation of these data in CRM processes and selection of appropriate data analytics techniques. Data analytics techniques help find hidden patterns in data. The present paper explores the characteristics of data analytics as the integrated tool in CRM for sales managers. The paper aims at analysing some of the different analytics methods and tools which can be used for continuous improvement of CRM processes. A systematic literature has been conducted to achieve this goal. The results of the review highlight the most frequently considered CRM processes in the context of data analytics.

Review of analytical techniques to determine the chemical forms of vapours and aerosols released from overheated fuel

International Nuclear Information System (INIS)

Bowsher, B.R.; Nichols, A.L.

1989-12-01

A comprehensive review has been undertaken of appropriate analytical techniques to monitor and measure the chemical effects that occur in large-scale tests designed to study severe reactor accidents. Various methods have been developed to determine the chemical forms of the vapours, aerosols and deposits generated during and after such integral experiments. Other specific techniques have the long-term potential to provide some of the desired data in greater detail, although considerable efforts are still required to apply these techniques to the study of radioactive debris. Such in-situ and post-test methods of analysis have been also assessed in terms of their applicability to the analysis of samples from the Phebus-FP tests. The recommended in-situ methods of analysis are gamma-ray spectroscopy, potentiometry, mass spectrometry, and Raman/UV-visible absorption spectroscopy. Vapour/aerosol and deposition samples should also be obtained at well-defined time intervals during each experiment for subsequent post-test analysis. No single technique can provide all the necessary chemical data from these samples, and the most appropriate method of analysis involves a complementary combination of autoradiography, AES, IR, MRS, SEMS/EDS, SIMS/LMIS, XPS and XRD

Pollution prevention in the analytical laboratory--Microscale and other techniques do add up

International Nuclear Information System (INIS)

Erickson, M.D.; Alvarado, J.S.; Lu, C.-S.; Peterson, D.P.; Silzer, J.

1996-01-01

The principles of pollution prevention in the analytical laboratory have not been addressed sufficiently. Although the amount of reagent used per sample is often only a few milliliters, the aggregate of many routine test each day in thousands of laboratories becomes significant. Current recycling practices are not practical with small streams. Therefore, we have adopted the principles of microscale chemistry, along with other modern analytical approaches, to develop routine analytical methods that significantly curtail waste but still maintain acceptable analytical figures of merit and achieve cost savings through reduced reagent consumption and reduced labor cost

Advanced techniques for analytic liquid wastes management in the Rokkasho reprocessing plant

International Nuclear Information System (INIS)

Madic, C.; Moulin, J.P.; Runge, S.; Schott, R.; Kashiwai, T.; Hayashi, M.

1991-01-01

The JNFS Rokkasho reprocessing plant is a large scale commercial reprocessing plant. Liquid waste treatment relies on concentration by evaporation. The management of liquid wastes is rather sophisticated and implies, beside the organic wastes, sorting out between process and non-process, acidic and salt-bearing, tritiated and low tritiated streams and also according to their level of activity. A particular attention had to be paid to the analytical wastes, as their particularity is to contain not only a significant amount of radioactivity but also some fissile material and exotic chemicals which are useful for analytical purpose but unwanted in the main process mainly because of their corrosive and chelating properties. The analytical wastes are sorted out according to their activity level and fissile material content. On the one hand, a specific process has been developed to recover the bulk of plutonium from the analytical wastes. On the other hand, the foreseeable amount of unwanted chemicals (such as chloride ions) has been drastically reduced by carefully selecting all the analytical methods either by modification of already known methods or in some cases by working out new methods

Potential serum biomarkers and metabonomic profiling of serum in ischemic stroke patients using UPLC/Q-TOF MS/MS.

Directory of Open Access Journals (Sweden)

Hongxue Sun

Full Text Available Stroke still has a high incidence with a tremendous public health burden and it is a leading cause of mortality and disability. However, biomarkers for early diagnosis are absent and the metabolic alterations associated with ischemic stroke are not clearly understood. The objectives of this case-control study are to identify serum biomarkers and explore the metabolic alterations of ischemic stroke.Metabonomic analysis was performed using ultra-performance liquid chromatography quadrupole time-of-flight tandem mass spectrometry and multivariate statistical analysis was employed to study 60 patients with or without ischemic stroke (30 cases and 30 controls.Serum metabolic profiling identified a series of 12 metabolites with significant alterations, and the related metabolic pathways involved glycerophospholipid, sphingolipid, phospholipid, fat acid, acylcarnitine, heme, and purine metabolism. Subsequently, multiple logistic regression analyses of these metabolites showed uric acid, sphinganine and adrenoyl ethanolamide were potential biomarkers of ischemic stroke with an area under the receiver operating characteristic curve of 0.941.These findings provide insights into the early diagnosis and potential pathophysiology of ischemic stroke.

Effects of breviscapine on amyloid beta 1-42 induced Alzheimer's disease mice: A HPLC-QTOF-MS based plasma metabonomics study.

Science.gov (United States)

Xia, Hongjun; Wu, Lingling; Chu, Mengying; Feng, Huimin; Lu, Chunliang; Wang, Qinghe; He, Minghai; Ge, Xiaoqun

2017-07-01

Herba Erigerontis has long been used to cure apoplexy hemiplegia and precordial pain in China. In addition, the bioactivities of its total flavonoids-breviscapine included inhibiting amyloid beta (Aβ) fibril formation, antioxidation and metal chelating, which are beneficial to treat Alzheimer's disease (AD). Hence, A HPLC-QTOF-MS based plasma metabonomics approach was applied to investigate the neuroprotective effects of breviscapine on intracerebroventricular injection of aggregated Aβ 1-42 induced AD mice for the first time in the study. Ten potential biomarkers were screened out by multivariate statistical analysis, eight of which were further identified as indoleacrylic acid, C16 sphinganine, LPE (22:6), sulfolithocholic acid, LPC (16:0), PA (22:1/0:0), taurodeoxycholic acid, and PC (0:0/18:0). According to their metabolic pathways, it was supposed that breviscapine ameliorated the learning and memory deficits of AD mice predominantly by regulating phospholipids metabolism, elevating serotonin level and lowering cholesterols content in vivo. Copyright © 2017 Elsevier B.V. All rights reserved.

A Novel Method for Evaluating the Cardiotoxicity of Traditional Chinese Medicine Compatibility by Using Support Vector Machine Model Combined with Metabonomics

Directory of Open Access Journals (Sweden)

Yubo Li

2016-01-01

Full Text Available Traditional biochemical and histopathological tests have been used to evaluate the safety of traditional Chinese medicine (TCM compatibility for a long time. But these methods lack high sensitivity and specificity. In the previous study, we have found ten biomarkers related to cardiotoxicity and established a support vector machine (SVM prediction model. Results showed a good sensitivity and specificity. Therefore, in this study, we used SVM model combined with metabonomics UPLC/Q-TOF-MS technology to build a rapid and sensitivity and specificity method to predict the cardiotoxicity of TCM compatibility. This study firstly applied SVM model to the prediction of cardiotoxicity in TCM compatibility containing Aconiti Lateralis Radix Praeparata and further identified whether the cardiotoxicity increased after Aconiti Lateralis Radix Praeparata combined with other TCM. This study provides a new idea for studying the evaluation of the cardiotoxicity caused by compatibility of TCM.

Comparative metabonomics of differential hydrazine toxicity in the rat and mouse

International Nuclear Information System (INIS)

Bollard, Mary E.; Keun, Hector C.; Beckonert, Olaf; Ebbels, Tim M.D.; Antti, Henrik; Nicholls, Andrew W.; Shockcor, John P.; Cantor, Glenn H.; Stevens, Greg; Lindon, John C.; Holmes, Elaine; Nicholson, Jeremy K.

2005-01-01

Interspecies variation between rats and mice has been studied for hydrazine toxicity using a novel metabonomics approach. Hydrazine hydrochloride was administered to male Sprague-Dawley rats (30 mg/kg, n = 10 and 90 mg/kg, n = 10) and male B6C3F mice (100 mg/kg, n = 8 and 250 mg/kg, n = 8) by oral gavage. In each species, the high dose was selected to produce the major histopathologic effect, hepatocellular lipid accumulation. Urine samples were collected at sequential time points up to 168 h post dose and analyzed by 1 H NMR spectroscopy. The metabolites of hydrazine, namely diacetyl hydrazine and 1,4,5,6-tetrahydro-6-oxo-3-pyridazine carboxylic acid (THOPC), were detected in both the rat and mouse urine samples. Monoacetyl hydrazine was detected only in urine samples from the rat and its absence in the urine of the mouse was attributed to a higher activity of N-acetyl transferases in the mouse compared with the rat. Differential metabolic effects observed between the two species included elevated urinary β-alanine, 3-D-hydroxybutyrate, citrulline, N-acetylcitrulline, and reduced trimethylamine-N-oxide excretion unique to the rat. Metabolic principal component (PC) trajectories highlighted the greater degree of toxic response in the rat. A data scaling method, scaled to maximum aligned and reduced trajectories (SMART) analysis, was used to remove the differences between the metabolic starting positions of the rat and mouse and varying magnitudes of effect, to facilitate comparison of the response geometries between the rat and mouse. Mice followed 'biphasic' open PC trajectories, with incomplete recovery 7 days after dosing, whereas rats followed closed 'hairpin' time profiles, indicating functional reversibility. The greater magnitude of metabolic effects observed in the rat was supported by the more pronounced effect on liver pathology in the rat when compared with the mouse

Performance Marketing with Google Analytics Strategies and Techniques for Maximizing Online ROI

CERN Document Server

Tonkin, Sebastian

2010-01-01

An unparalleled author trio shares valuable advice for using Google Analytics to achieve your business goals. Google Analytics is a free tool used by millions of Web site owners across the globe to track how visitors interact with their Web sites, where they arrive from, and which visitors drive the most revenue and sales leads. This book offers clear explanations of practical applications drawn from the real world. The author trio of Google Analytics veterans starts with a broad explanation of performance marketing and gets progressively more specific, closing with step-by-step analysis and a

Microgenetic Learning Analytics Methods: Workshop Report

Science.gov (United States)

Aghababyan, Ani; Martin, Taylor; Janisiewicz, Philip; Close, Kevin

2016-01-01

Learning analytics is an emerging discipline and, as such, benefits from new tools and methodological approaches. This work reviews and summarizes our workshop on microgenetic data analysis techniques using R, held at the second annual Learning Analytics Summer Institute in Cambridge, Massachusetts, on 30 June 2014. Specifically, this paper…

Sampling practices and analytical techniques used in the monitoring of steam and water in CEGB nuclear boilers

International Nuclear Information System (INIS)

Goodfellow, G.I.

1978-01-01

The steam and water in CEGB Magnox and AGR nuclear boilers are continuously monitored, using both laboratory techniques and on-line instrumentation, in order to maintain the chemical quality within pre-determined limits. The sampling systems in use and some of the difficulties associated with sampling requirements are discussed. The relative merits of chemical instruments installed either locally in various parts of the plant or in centralized instrument rooms are reviewed. The quality of water in nuclear boilers, as with all high-pressure steam-raising plant, is extremely high; consequently very sensitive analytical procedures are required, particularly for monitoring the feed-water of 'once-through boiler' systems. Considerable progress has been made in this field and examples are given of some of the techniques developed for analyses at the 'μ/kg' level together with some of the current problems.(author)

Nuclear analytical methods for platinum group elements

International Nuclear Information System (INIS)

2005-04-01

Platinum group elements (PGE) are of special interest for analytical research due to their economic importance like chemical peculiarities as catalysts, medical applications as anticancer drugs, and possible environmental detrimental impact as exhaust from automobile catalyzers. Natural levels of PGE are so low in concentration that most of the current analytical techniques approach their limit of detection capacity. In addition, Ru, Rh, Pd, Re, Os, Ir, and Pt analyses still constitute a challenge in accuracy and precision of quantification in natural matrices. Nuclear analytical techniques, such as neutron activation analysis, X ray fluorescence, or proton-induced X ray emission (PIXE), which are generally considered as reference methods for many analytical problems, are useful as well. However, due to methodological restrictions, they can, in most cases, only be applied after pre-concentration and under special irradiation conditions. This report was prepared following a coordinated research project and a consultants meeting addressing the subject from different viewpoints. The experts involved suggested to discuss the issue according to the (1) application, hence, the concentration levels encountered, and (2) method applied for analysis. Each of the different fields of application needs special consideration for sample preparation, PGE pre-concentration, and determination. Additionally, each analytical method requires special attention regarding the sensitivity and sample type. Quality assurance/quality control aspects are considered towards the end of the report. It is intended to provide the reader of this publication with state-of-the-art information on the various aspects of PGE analysis and to advise which technique might be most suitable for a particular analytical problem related to platinum group elements. In particular, many case studies described in detail from the authors' laboratory experience might help to decide which way to go. As in many cases

Comparative study of inorganic elements determined in whole blood from Dmd(mdx)/J mice strain by EDXRF and NAA analytical techniques.

Science.gov (United States)

Redígolo, M M; Sato, I M; Metairon, S; Zamboni, C B

2016-04-01

Several diseases can be diagnosed observing the variation of specific elements concentration in body fluids. In this study the concentration of inorganic elements in blood samples of dystrophic (Dmd(mdx)/J) and C57BL/6J (control group) mice strain were determined. The results obtained from Energy Dispersive X-ray Fluorescence (EDXRF) were compared with Neutron Activation Analysis (NAA) technique. Both analytical techniques showed to be appropriate and complementary offering a new contribution for veterinary medicine as well as detailed knowledge of this pathology. Copyright © 2016 Elsevier Ltd. All rights reserved.

Distribution-analytical techniques in the study of AD/HD: Delta plot analyses reveal deficits in response inhibition that are eliminated by methylphenidate treatment

NARCIS (Netherlands)

Ridderinkhof, K.R.; Scheres, A.; Oosterlaan, J.; Sergeant, J.A.

2005-01-01

The authors highlight the utility of distribution-analytical techniques in the study of individual differences and clinical disorders. Cognitive deficits associated with attention-deficit/hyperactivity disorder (AD/HD) were examined by using delta-plot analyses of performance data (reaction time and

Synchrotron radiation based analytical techniques (XAS and XRF)

International Nuclear Information System (INIS)

Jha, Shambhu Nath

2014-01-01

A brief description of the principles of X-ray absorption spectroscopy (XAS) and X-ray fluorescence (XRF) techniques is given in this article with emphasis on the advantages of using synchrotron radiation-based instrumentation/beamline. XAS technique is described in more detail to emphasize the strength of the technique as a local structural probe. (author)

Analytic number theory

CERN Document Server

Iwaniec, Henryk

2004-01-01

Analytic Number Theory distinguishes itself by the variety of tools it uses to establish results, many of which belong to the mainstream of arithmetic. One of the main attractions of analytic number theory is the vast diversity of concepts and methods it includes. The main goal of the book is to show the scope of the theory, both in classical and modern directions, and to exhibit its wealth and prospects, its beautiful theorems and powerful techniques. The book is written with graduate students in mind, and the authors tried to balance between clarity, completeness, and generality. The exercis

Reliable screening of various foodstuffs with respect to their irradiation status: A comparative study of different analytical techniques

International Nuclear Information System (INIS)

Ahn, Jae-Jun; Akram, Kashif; Kwak, Ji-Young; Jeong, Mi-Seon; Kwon, Joong-Ho

2013-01-01

Cost-effective and time-efficient analytical techniques are required to screen large food lots in accordance to their irradiation status. Gamma-irradiated (0–10 kGy) cinnamon, red pepper, black pepper, and fresh paprika were investigated using photostimulated luminescence (PSL), direct epifluorescent filter technique/the aerobic plate count (DEFT/APC), and electronic-nose (e-nose) analyses. The screening results were also confirmed with thermoluminescence analysis. PSL analysis discriminated between irradiated (positive, >5000 PCs) and non-irradiated (negative, <700 PCs) cinnamon and red peppers. Black pepper had intermediate results (700–5000 PCs), while paprika had low sensitivity (negative results) upon irradiation. The DEFT/APC technique also showed clear screening results through the changes in microbial profiles, where the best results were found in paprika, followed by red pepper and cinnamon. E-nose analysis showed a dose-dependent discrimination in volatile profiles upon irradiation through principal component analysis. These methods can be used considering their potential applications for the screening analysis of irradiated foods. - Highlights: • Detection of irradiated food is important to enforce the applied regulations. • Gamma-irradiated spices were investigated to confirm their irradiation status. • Screening techniques such as PSL, DEFT/APC, and E-nose were tested. • Specificity and potential applications of screening techniques were evaluated. • The screening results were confirmed by promising thermoluminescence technique

Future analytical provision - Relocation of Sellafield Ltd Analytical Services Laboratory

International Nuclear Information System (INIS)

Newell, B.

2015-01-01

Sellafield Ltd Analytical Services provide an essential view on the environmental, safety, process and high hazard risk reduction performances by analysis of samples. It is the largest and most complex analytical services laboratory in Europe, with 150 laboratories (55 operational) and 350 staff (including 180 analysts). Sellafield Ltd Analytical Services Main Laboratory is in need of replacement. This is due to the age of the facility and changes to work streams. This relocation is an opportunity to -) design and commission bespoke MA (Medium-Active) cells, -) modify HA (High-Active) cell design to facilitate an in-cell laboratory, -) develop non-destructive techniques, -) open light building for better worker morale. The option chosen was to move the activities to the NNL Central laboratory (NNLCL) that is based at Sellafield and is the UK's flagship nuclear research and development facility. This poster gives a time schedule

International Congress on Analytical Chemistry. Abstracts. V. 1

International Nuclear Information System (INIS)

1997-01-01

The collection of materials of the international congress on analytical chemistry taken place in Moscow in June 1997. The main directs of investigations in such regions of analytical chemistry as quantitative and qualitative analysis, microanalysis, sample preparation and preconcentration, analytical reagents, chromatography and related techniques, flow analysis, electroanalytical and kinetic methods sensors are elucidated

Application of 1H NMR spectroscopy-based metabonomics to feces of cervical cancer patients with radiation-induced acute intestinal symptoms.

Science.gov (United States)

Chai, Yanlan; Wang, Juan; Wang, Tao; Yang, Yunyi; Su, Jin; Shi, Fan; Wang, Jiquan; Zhou, Xi; He, Bin; Ma, Hailin; Liu, Zi

2015-11-01

Radiation-induced acute intestinal symptoms (RIAISs) are a common complication of radiotherapy for cervical cancer. The aim of this study was to use (1)H nuclear magnetic resonance ((1)H NMR) combined with chemometric analysis to develop a metabolic profile of patients with RIAISs. Fecal samples were collected from 66 patients with cervical cancer before and after pelvic radiotherapy. After radiotherapy, RIAISs occurred in eleven patients. We selected another 11 patients from participants without RIAISs whose age, stage, histological type and treatment methods are matched with RIAIS patients as the control group. (1)H NMR spectroscopy combined with multivariate pattern recognition analysis was used to generate metabolic profile data, as well as to establish a RIAIS-specific metabolic phenotype. Orthogonal partial least-squares discriminant analysis was used to distinguish samples between the pre- and post-radiotherapy RIAIS patients and between RIAIS patients and controls. Fecal samples from RIAIS patients after pelvic radiotherapy were characterized by increased concentrations of α-ketobutyrate, valine, uracil, tyrosine, trimethylamine N-oxide, phenylalanine, lysine, isoleucine, glutamine, creatinine, creatine, bile acids, aminohippurate, and alanine, accompanied by reduced concentrations of α-glucose, n-butyrate, methylamine, and ethanol relative to samples from RIAIS patients before pelvic radiotherapy, while in RIAIS patients relative to controls, trimethylamine, n-butyrate, fumarate and acetate were down-regulated and valine, TMAO, taurine, phenylalanine, lactate, isoleucine and creatinine were up-regulated. We obtained the metabolic profile of RIAIS patients from fecal samples using NMR-based metabonomics. This profile has the potential to be developed into a novel clinical tool for RIAIS diagnosis or therapeutic monitoring, and could contribute to an improved understanding of the disease mechanism. However, because of the limitations of methods, technique

Big Data Analytics with Datalog Queries on Spark.

Science.gov (United States)

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.

Development of an absolute x-ray fluorescence technique and high accuracy analytical methods for the determination of metals in catalytic materials

International Nuclear Information System (INIS)

LaBrecque, J.J.; Parker, W.C.

1982-09-01

A technique to produce characteristic x-rays by direct beta excitation for x-ray fluorescence analysis is presented. This is carried out by the introduction of 100 uCi of Pm-147 or Ni-63 to a small sample, which is placed directly in the window of a modified Si(Li) semiconductor. Corrected intensities are only given at 300 seconds for synthetic standards oscillating within the range 22 3 was used, to which the radioisotope was directly added. Preliminary results of the determination of eleven different radionuclides by means of an elementary x-ray analysis by using a new analytical technique, are discussed. In this technique the radioisotope and the sample are directly mixed, then this source-sample in the detector window and is protected from contamination with a thin plastic film. Future and possible applications of this technique are presented

Analysis of the Effects of δ-Tocopherol on RAW264.7 and K562 Cells Based on 1H NMR Metabonomics.

Science.gov (United States)

Lu, Yang; Li, Hui; Geng, Yue

2018-01-31

δ-Tocopherol (δ-TOH) is a form of vitamin E with higher bioactivity. In this study, we studied the bioactivity of δ-TOH using the IC 50 of δ-TOH on RAW264.7 (80 μM) and K562 (110 μM) cells. We compared the differential metabolites from the cell lines with and without δ-TOH treatment by 1 H NMR metabonomics analysis. It was found that δ-TOH affected the protein biosynthesis, betaine metabolism, and urea cycle in various ways in both cell lines. Metabolic levels of the cell lines were changed after treatment with δ-TOH as differential metabolites were produced. The betaine level in RAW264.7 cells was reduced significantly, while the l-lactic acid level in K562 cells was significantly enhanced. The metabolic changes might contribute to the switch of the respiration pattern from aerobic respiration to anaerobic respiration in K562 cells. These results are helpful in further understanding the subtoxicity of δ-TOH.

Multi-Intelligence Analytics for Next Generation Analysts (MIAGA)

Science.gov (United States)

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.

A plasma metabonomic analysis on potential biomarker in pyrexia induced by three methods using ultra high performance liquid chromatography coupled with Fourier transform ion cyclotron resonance mass spectrometry.

Science.gov (United States)

Liu, Ting; Li, Songhe; Tian, Xiumin; Li, Zhaoqin; Cui, Yue; Han, Fei; Zhao, Yunli; Yu, Zhiguo

2017-09-15

Pyrexia usually is a systemic pathological process that can lead to metabolic disorders. Metabonomics as a powerful tool not only can reveal the pathological mechanisms, but also can give insight into the progression of pyrexia from another angle. Thus, an ultra high performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry (UHPLC-FT-ICR-MS) metabonomic approach was employed for the first time to investigate the plasma biochemical characteristics of pyrexia induced by three methods and to reveal subtle metabolic changes under the condition of pyrexia so as to explore its mechanism. The acquired metabolic data of the models were subjected to principal component analysis (PCA) for allowing the clear separation of the pyrexia rats from the control rats. Variable importance for project values (VIP) and Student's t-test were used to screen the significant metabolic changes caused by pyrexia. Fifty-two endogenous metabolites were identified and putatively identified as potential biomarkers primarily associated with phospholipid metabolism, sphingolipid metabolism, fatty acid oxidation metabolism, fatty acid amides metabolism and amino acid metabolism, and related to bile acid biosynthesis and glycerolipid catabolism. LysoPC (14:0), LysoPC (18:3), LysoPC (20:4), LysoPC (16:0), phytosphingosine, Cer (d18:0/12:0), N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide, oleamide, fatty acid amide C22:1, tryptophan, acetylcarnitine, palmitoylcarnitine and stearoylcarnitine were considered as common potential biomarkers of pyrexia rats induced by three methods: Our results revealed that the UHPLC-FT-ICR-MS-based metabolomic method is helpful for finding new potential metabolic markers for pyrexia detection and offers a good perspective in pyrexia research. Copyright © 2017 Elsevier B.V. All rights reserved.

The analyst's participation in the analytic process.

Science.gov (United States)

Levine, H B

1994-08-01

The analyst's moment-to-moment participation in the analytic process is inevitably and simultaneously determined by at least three sets of considerations. These are: (1) the application of proper analytic technique; (2) the analyst's personally-motivated responses to the patient and/or the analysis; (3) the analyst's use of him or herself to actualise, via fantasy, feeling or action, some aspect of the patient's conflicts, fantasies or internal object relationships. This formulation has relevance to our view of actualisation and enactment in the analytic process and to our understanding of a series of related issues that are fundamental to our theory of technique. These include the dialectical relationships that exist between insight and action, interpretation and suggestion, empathy and countertransference, and abstinence and gratification. In raising these issues, I do not seek to encourage or endorse wild analysis, the attempt to supply patients with 'corrective emotional experiences' or a rationalisation for acting out one's countertransferences. Rather, it is my hope that if we can better appreciate and describe these important dimensions of the analytic encounter, we can be better prepared to recognise, understand and interpret the continual streams of actualisation and enactment that are embedded in the analytic process. A deeper appreciation of the nature of the analyst's participation in the analytic process and the dimensions of the analytic process to which that participation gives rise may offer us a limited, although important, safeguard against analytic impasse.

Development of statistical and analytical techniques for use in national quality control schemes for steroid hormones

International Nuclear Information System (INIS)

Wilson, D.W.; Gaskell, S.J.; Fahmy, D.R.; Joyce, B.G.; Groom, G.V.; Griffiths, K.; Kemp, K.W.; Nix, A.B.J.; Rowlands, R.J.

1979-01-01

Adopting the rationale that the improvement of intra-laboratory performance of immunometric assays will enable the assessment of national QC schemes to become more meaningful, the group of participating laboratories has developed statistical and analytical techniques for the improvement of accuracy, precision and monitoring of error for the determination of steroid hormones. These developments are now described and their relevance to NQC schemes discussed. Attention has been focussed on some of the factors necessary for improving standards of quality in immunometric assays and their relevance to laboratories participating in NQC schemes as described. These have included the 'accuracy', precision and robustness of assay procedures as well as improved methods for internal quality control. (Auth.)

Investigation of different types of filters for atmospheric trace elements analysis by three analytical techniques

International Nuclear Information System (INIS)

Ali, A.E.; Bacso, J.

1996-01-01

Different atmospheric aerosol samples were collected on three types of filters. Disks of both loaded and clean areas of each kind of filter were investigated by XRF, PIXE and Scanning Electron Microscope (SEM) methods. The blank concentration values of the elements Al, Si, P, S, Cl, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Br and Pb in the three types of filters are discussed. It is found that for trace elemental analysis, the Nuclepore membrane filters are the most suitable for sampling. These have much lower blank element concentration values than the glass fibres and ash free filters. It was found also that the PIXE method is a more reliable analytical technique for atmospheric aerosol particles than the other methods. (author). 20 refs., 3 figs., 3 tabs

Experiences with IAEA project: TC Regional Project on Quality Control and Quality Assurance for Nuclear Analytical Techniques (RER/2/004)

International Nuclear Information System (INIS)

Glavic-Cindro, Denis; Korun, Matjaz

2002-01-01

In the TC Regional Project on Quality Control and Quality Assurance for Nuclear Analytical Techniques RER/2/004, 12 laboratories from east and central European countries participated. Within this project 4 workshops, 2 audit inspections and 2 proficiency tests were organized. The aim of this project was to help these laboratories to implement quality assurance system based on the ISO 17025 standard and to help them on the way towards accreditation. (author)

Analytical characterization using surface-enhanced Raman scattering (SERS) and microfluidic sampling

International Nuclear Information System (INIS)

Wang, Chao; Yu, Chenxu

2015-01-01

With the rapid development of analytical techniques, it has become much easier to detect chemical and biological analytes, even at very low detection limits. In recent years, techniques based on vibrational spectroscopy, such as surface enhanced Raman spectroscopy (SERS), have been developed for non-destructive detection of pathogenic microorganisms. SERS is a highly sensitive analytical tool that can be used to characterize chemical and biological analytes interacting with SERS-active substrates. However, it has always been a challenge to obtain consistent and reproducible SERS spectroscopic results at complicated experimental conditions. Microfluidics, a tool for highly precise manipulation of small volume liquid samples, can be used to overcome the major drawbacks of SERS-based techniques. High reproducibility of SERS measurement could be obtained in continuous flow generated inside microfluidic devices. This article provides a thorough review of the principles, concepts and methods of SERS-microfluidic platforms, and the applications of such platforms in trace analysis of chemical and biological analytes. (topical review)

Discourse-Centric Learning Analytics: Mapping the Terrain

Science.gov (United States)

Knight, Simon; Littleton, Karen

2015-01-01

There is an increasing interest in developing learning analytic techniques for the analysis, and support of, high-quality learning discourse. This paper maps the terrain of discourse-centric learning analytics (DCLA), outlining the distinctive contribution of DCLA and outlining a definition for the field moving forwards. It is our claim that DCLA…

Analytical chemistry

International Nuclear Information System (INIS)

Anon.

1985-01-01

The division for Analytical Chemistry continued to try and develope an accurate method for the separation of trace amounts from mixtures which, contain various other elements. Ion exchange chromatography is of special importance in this regard. New separation techniques were tried on certain trace amounts in South African standard rock materials and special ceramics. Methods were also tested for the separation of carrier-free radioisotopes from irradiated cyclotron discs

Enabling Analytics on Sensitive Medical Data with Secure Multi-Party Computation.

Science.gov (United States)

Veeningen, Meilof; Chatterjea, Supriyo; Horváth, Anna Zsófia; Spindler, Gerald; Boersma, Eric; van der Spek, Peter; van der Galiën, Onno; Gutteling, Job; Kraaij, Wessel; Veugen, Thijs

2018-01-01

While there is a clear need to apply data analytics in the healthcare sector, this is often difficult because it requires combining sensitive data from multiple data sources. In this paper, we show how the cryptographic technique of secure multi-party computation can enable such data analytics by performing analytics without the need to share the underlying data. We discuss the issue of compliance to European privacy legislation; report on three pilots bringing these techniques closer to practice; and discuss the main challenges ahead to make fully privacy-preserving data analytics in the medical sector commonplace.

Applicability of analytical instrument in trace evidence analysis

International Nuclear Information System (INIS)

Sharma, Mukesh; Jha, Shailendra

2014-01-01

In the present paper, we explain the importance of the analytical instrument used in the field of forensic science for the analysis of the trace evidences collected from the scene of occurrence. The forensic scientist has to rely upon these instrumental analyses of trace amounts of materials like drugs, toxicological specimens, GSR, fibres, glass, paints, soil etc. Through this paper, reviews on these techniques which are extensively used in forensic sciences are reported. Our report summaries on the basis of analytical problem facing for a forensic expert and techniques employed to tackle them like XRD/XRF, inductively coupled plasma (ICP) techniques, Raman spectroscopy and microscopy (optical, GRIM, electron microscopy, TEM). (author)

Analytic continuation by duality estimation of the S parameter

International Nuclear Information System (INIS)

Ignjatovic, S. R.; Wijewardhana, L. C. R.; Takeuchi, T.

2000-01-01

We investigate the reliability of the analytic continuation by duality (ACD) technique in estimating the electroweak S parameter for technicolor theories. The ACD technique, which is an application of finite energy sum rules, relates the S parameter for theories with unknown particle spectra to known OPE coefficients. We identify the sources of error inherent in the technique and evaluate them for several toy models to see if they can be controlled. The evaluation of errors is done analytically and all relevant formulas are provided in appendixes including analytical formulas for approximating the function 1/s with a polynomial in s. The use of analytical formulas protects us from introducing additional errors due to numerical integration. We find that it is very difficult to control the errors even when the momentum dependence of the OPE coefficients is known exactly. In realistic cases in which the momentum dependence of the OPE coefficients is only known perturbatively, it is impossible to obtain a reliable estimate. (c) 2000 The American Physical Society

A study on environmental pollution monitoring and occupational health in the Capital Iron and Steel Company, Beijing, China, using nuclear and related analytical techniques

International Nuclear Information System (INIS)

Chai Zhifang; Qian Qinfang; Feng Xiangqian; Ding Wenjun; Kuang Minxu; Wang Hongyu; Zhang Yongchen

2000-01-01

Since the First Research Coordination Meeting in Vienna, 20-24 October 1997, on the CRP on Assessment of Levels and Health-effects of Airborne Particulate Matter in Mining, Metal Refining and Metal Working Industries using Nuclear and related Analytical Techniques, our research group has completed the work plan defined by the contract with the Agency, including: (1) collection of airborne particulate, plant and soil samples from sites around the Capital Iron and Steel Company and of human hair, urine, and blood samples from the exposed workers and the control group; (2) validation of the analytical methods (NAA, XRF, SRXRF, JCP-AES etc.) by analyzing appropriate reference materials and by participating in relevant Agency's quality assurance exercises; and (3) analysis of part of the collected samples and preliminary discussion on the available analytical results. Finally, plan for future work was outlined as well. (author)

Analytical study of nonlinear phase shift through stimulated Brillouin scattering in single mode fiber with the pump power recycling technique

International Nuclear Information System (INIS)

Al-Asadi, H A; Mahdi, M A; Bakar, A A A; Adikan, F R Mahamd

2011-01-01

We present a theoretical study of nonlinear phase shift through stimulated Brillouin scattering in single mode optical fiber. Analytical expressions describing the nonlinear phase shift for the pump and Stokes waves in the pump power recycling technique have been derived. The dependence of the nonlinear phase shift on the optical fiber length, the reflectivity of the optical mirror and the frequency detuning coefficient have been analyzed for different input pump power values. We found that with the recycling pump technique, the nonlinear phase shift due to stimulated Brillouin scattering reduced to less than 0.1 rad for 5 km optical fiber length and 0.65 reflectivity of the optical mirror, respectively, at an input pump power equal to 30 mW

New analytical technique for carbon dioxide absorption solvents

Energy Technology Data Exchange (ETDEWEB)

Pouryousefi, F.; Idem, R.O. [University of Regina, Regina, SK (Canada). Faculty of Engineering

2008-02-15

The densities and refractive indices of two binary systems (water + MEA and water + MDEA) and three ternary systems (water + MEA + CO{sub 2}, water + MDEA + CO{sub 2}, and water + MEA + MDEA) used for carbon dioxide (CO{sub 2}) capture were measured over the range of compositions of the aqueous alkanolamine(s) used for CO{sub 2} absorption at temperatures from 295 to 338 K. Experimental densities were modeled empirically, while the experimental refractive indices were modeled using well-established models from the known values of their pure-component densities and refractive indices. The density and Gladstone-Dale refractive index models were then used to obtain the compositions of unknown samples of the binary and ternary systems by simultaneous solution of the density and refractive index equations. The results from this technique have been compared with HPLC (high-performance liquid chromatography) results, while a third independent technique (acid-base titration) was used to verify the results. The results show that the systems' compositions obtained from the simple and easy-to-use refractive index/density technique were very comparable to the expensive and laborious HPLC/titration techniques, suggesting that the refractive index/density technique can be used to replace existing methods for analysis of fresh or nondegraded, CO{sub 2}-loaded, single and mixed alkanolamine solutions.

Analytical aids in land management planning

Science.gov (United States)

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...

Analytical Chemistry Laboratory: Progress report for FY 1988

International Nuclear Information System (INIS)

Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Erickson, M.D.

1988-12-01

The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for fiscal year 1988 (October 1987 through September 1988). The Analytical Chemistry Laboratory is a full-cost recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques

Analytical Chemistry Laboratory progress report for FY 1989

International Nuclear Information System (INIS)

Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Erickson, M.D.

1989-12-01

The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1989 (October 1988 through September 1989). The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques

Analytical Chemistry Laboratory: Progress report for FY 1988

Energy Technology Data Exchange (ETDEWEB)

Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Erickson, M.D.

1988-12-01

The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for fiscal year 1988 (October 1987 through September 1988). The Analytical Chemistry Laboratory is a full-cost recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques.

Structural level characterization of base oils using advanced analytical techniques

KAUST Repository

Hourani, Nadim

2015-05-21

Base oils, blended for finished lubricant formulations, are classified by the American Petroleum Institute into five groups, viz., groups I-V. Groups I-III consist of petroleum based hydrocarbons whereas groups IV and V are made of synthetic polymers. In the present study, five base oil samples belonging to groups I and III were extensively characterized using high performance liquid chromatography (HPLC), comprehensive two-dimensional gas chromatography (GC×GC), and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) equipped with atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI) sources. First, the capabilities and limitations of each analytical technique were evaluated, and then the availed information was combined to reveal compositional details on the base oil samples studied. HPLC showed the overwhelming presence of saturated over aromatic compounds in all five base oils. A similar trend was further corroborated using GC×GC, which yielded semiquantitative information on the compound classes present in the samples and provided further details on the carbon number distributions within these classes. In addition to chromatography methods, FT-ICR MS supplemented the compositional information on the base oil samples by resolving the aromatics compounds into alkyl- and naphtheno-subtituted families. APCI proved more effective for the ionization of the highly saturated base oil components compared to APPI. Furthermore, for the detailed information on hydrocarbon molecules FT-ICR MS revealed the presence of saturated and aromatic sulfur species in all base oil samples. The results presented herein offer a unique perspective into the detailed molecular structure of base oils typically used to formulate lubricants. © 2015 American Chemical Society.

Challenges of Using Learning Analytics Techniques to Support Mobile Learning

Science.gov (United States)

Arrigo, Marco; Fulantelli, Giovanni; Taibi, Davide

2015-01-01

Evaluation of Mobile Learning remains an open research issue, especially as regards the activities that take place outside the classroom. In this context, Learning Analytics can provide answers, and offer the appropriate tools to enhance Mobile Learning experiences. In this poster we introduce a task-interaction framework, using learning analytics…

International NMR-based Environmental Metabolomics Intercomparison Exercise

Science.gov (United States)

Several fundamental requirements must be met so that NMR-based metabolomics and the related technique of metabonomics can be formally adopted into environmental monitoring and chemical risk assessment. Here we report an intercomparison exercise which has evaluated the effectivene...

Assessment of levels and 'health-effects' of airborne particulate matter in mining, metal refining and metal working industries using nuclear and related analytical techniques

Energy Technology Data Exchange (ETDEWEB)

NONE

2008-01-15

The International Atomic Energy Agency (IAEA) has been supporting, over the years, several coordinated research programmes (CRPs) on various research topics related to environmental issues impacting human health. A variety of industrial environments such as: galvanisation, iron and steel production, steel construction, coal fired thermal power plants, mining and mineral beneficiation of monazite, zinc smelters, and phosphate fertilizer production plants were included in this CRP. Toxic elements specific for particular industries as potential pollutants were monitored within individual projects. The CRP focussed on the use of nuclear and related analytical techniques for studies of exposure to inorganic constituents and radionuclides from naturally occurring radioactive materials (NORMs), in the workplaces and their impacts on the health of the workers. The objectives were to: develop strategies and techniques for sampling of workplace airborne particulate matter (APM) and of bio-markers (e.g. hair, blood, nails, teeth, urine, breath) of exposed and non-exposed individuals; develop reliable analytical procedures for the analysis of such samples, using nuclear and related analytical techniques; carry out workplace and personal monitoring surveys, and assess workers' exposure to toxic elements on the basis of measurements results. This document provides an overview of the activities performed under the CRP by the participants. The overall achievements are summarized and those aspects that require a further deeper look are also pointed out. The individual country reports include details on the progress made by the respective participants during the CRP period.

Analytical techniques for the study of polyphenol-protein interactions.

Science.gov (United States)

Poklar Ulrih, Nataša

2017-07-03

This mini review focuses on advances in biophysical techniques to study polyphenol interactions with proteins. Polyphenols have many beneficial pharmacological properties, as a result of which they have been the subject of intensive studies. The most conventional techniques described here can be divided into three groups: (i) methods used for screening (in-situ methods); (ii) methods used to gain insight into the mechanisms of polyphenol-protein interactions; and (iii) methods used to study protein aggregation and precipitation. All of these methods used to study polyphenol-protein interactions are based on modifications to the physicochemical properties of the polyphenols or proteins after binding/complex formation in solution. To date, numerous review articles have been published in the field of polyphenols. This review will give a brief insight in computational methods and biosensors and cell-based methods, spectroscopic methods including fluorescence emission, UV-vis adsorption, circular dichroism, Fourier transform infrared and mass spectrometry, nuclear magnetic resonance, X-ray diffraction, and light scattering techniques including small-angle X-ray scattering and small-angle neutron scattering, and calorimetric techniques (isothermal titration calorimetry and differential scanning calorimetry), microscopy, the techniques which have been successfully used for polyphenol-protein interactions. At the end the new methods based on single molecule detection with high potential to study polyphenol-protein interactions will be presented. The advantages and disadvantages of each technique will be discussed as well as the thermodynamic, kinetic or structural parameters, which can be obtained. The other relevant biophysical experimental techniques that have proven to be valuable, such electrochemical methods, hydrodynamic techniques and chromatographic techniques will not be described here.

Side-by-side comparison of analytical techniques; organic acids, total organic carbon, and anions in PWR secondary cycles

International Nuclear Information System (INIS)

Hobart, S.A.; Byers, W.A.; Miller, M.R.; Richards, J.; Silva, H.; Palino, G.F.; Wall, P.S.

1986-01-01

Total Organic Carbon TOC samples should be analyzed no later than one week after they are taken and they should be stored in a refrigerated condition, if at all possible. It can be inferred that for TOC levels in the range of 50 to 120 ppb, state-of-the-art sampling and analysis techniques can produce results varying by 20 to 50 ppb. Any proposed limits for TOC should be reviewed in that light. Agreement between anion results appeared to improve over the course of the project. Both contractors agree that increased attention and care with sampling and analytical techniques probably accounted for this improvement. Utility personnel can therefore conclude that proper employee training, supervision, and motivation for proper sampling and analysis are critical if accurate anion results are to be obtained. Resonable agreement between calculated and measured values of cation conductivity suggest that both contractors had accurately determined all major anionic species

A semi-analytical iterative technique for solving chemistry problems

Directory of Open Access Journals (Sweden)

Majeed Ahmed AL-Jawary

2017-07-01

Full Text Available The main aim and contribution of the current paper is to implement a semi-analytical iterative method suggested by Temimi and Ansari in 2011 namely (TAM to solve two chemical problems. An approximate solution obtained by the TAM provides fast convergence. The current chemical problems are the absorption of carbon dioxide into phenyl glycidyl ether and the other system is a chemical kinetics problem. These problems are represented by systems of nonlinear ordinary differential equations that contain boundary conditions and initial conditions. Error analysis of the approximate solutions is studied using the error remainder and the maximal error remainder. Exponential rate for the convergence is observed. For both problems the results of the TAM are compared with other results obtained by previous methods available in the literature. The results demonstrate that the method has many merits such as being derivative-free, and overcoming the difficulty arising in calculating Adomian polynomials to handle the non-linear terms in Adomian Decomposition Method (ADM. It does not require to calculate Lagrange multiplier in Variational Iteration Method (VIM in which the terms of the sequence become complex after several iterations, thus, analytical evaluation of terms becomes very difficult or impossible in VIM. No need to construct a homotopy in Homotopy Perturbation Method (HPM and solve the corresponding algebraic equations. The MATHEMATICA® 9 software was used to evaluate terms in the iterative process.

Proceedings of the 11. ENQA: Brazilian meeting on analytical chemistry. Challenges for analytical chemistry in the 21st century. Book of Abstracts

International Nuclear Information System (INIS)

2001-01-01

The 11th National Meeting on Analytical Chemistry was held from 18 to 21 September, 2001 at the Convention Center of UNICAMP, with the theme Challenges for Analytical Chemistry in the 21st Century. This meeting have discussed on the development of new methods and analytical tools needed to solve new challenges. The papers presented topics related to the different sub-areas of Analytical Chemistry such as Environmental Chemistry; Chemiometry techniques; X-ray Fluorescence Analysis; Spectroscopy; Separation Processes; Electroanalytic Chemistry and others. Were also included lectures on the Past and Future of Analytical Chemistry and on Ethics in Science

Approximate analytical relationships for linear optimal aeroelastic flight control laws

Science.gov (United States)

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.

Structural Analysis of Composite Laminates using Analytical and Numerical Techniques

Directory of Open Access Journals (Sweden)

Sanghi Divya

2016-01-01

Full Text Available A laminated composite material consists of different layers of matrix and fibres. Its properties can vary a lot with each layer’s or ply’s orientation, material property and the number of layers itself. The present paper focuses on a novel approach of incorporating an analytical method to arrive at a preliminary ply layup order of a composite laminate, which acts as a feeder data for the further detailed analysis done on FEA tools. The equations used in our MATLAB are based on analytical study code and supply results that are remarkably close to the final optimized layup found through extensive FEA analysis with a high probabilistic degree. This reduces significant computing time and saves considerable FEA processing to obtain efficient results quickly. The result output by our method also provides the user with the conditions that predicts the successive failure sequence of the composite plies, a result option which is not even available in popular FEM tools. The predicted results are further verified by testing the laminates in the laboratory and the results are found in good agreement.

Analytical Chemistry Laboratory progress report for FY 1991

Energy Technology Data Exchange (ETDEWEB)

Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Boparai, A.S.

1991-12-01

The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1991 (October 1990 through September 1991). This is the eighth annual report for the ACL. The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques.

Analytical model and error analysis of arbitrary phasing technique for bunch length measurement

Science.gov (United States)

Chen, Qushan; Qin, Bin; Chen, Wei; Fan, Kuanjun; Pei, Yuanji

2018-05-01

An analytical model of an RF phasing method using arbitrary phase scanning for bunch length measurement is reported. We set up a statistical model instead of a linear chirp approximation to analyze the energy modulation process. It is found that, assuming a short bunch (σφ / 2 π → 0) and small relative energy spread (σγ /γr → 0), the energy spread (Y =σγ 2) at the exit of the traveling wave linac has a parabolic relationship with the cosine value of the injection phase (X = cosφr|z=0), i.e., Y = AX2 + BX + C. Analogous to quadrupole strength scanning for emittance measurement, this phase scanning method can be used to obtain the bunch length by measuring the energy spread at different injection phases. The injection phases can be randomly chosen, which is significantly different from the commonly used zero-phasing method. Further, the systematic error of the reported method, such as the influence of the space charge effect, is analyzed. This technique will be especially useful at low energies when the beam quality is dramatically degraded and is hard to measure using the zero-phasing method.

Analytical solution of the multigroup neutron diffusion kinetic equation in one-dimensional cartesian geometry by the integral transform technique

International Nuclear Information System (INIS)

Ceolin, Celina

2010-01-01

The objective of this work is to obtain an analytical solution of the neutron diffusion kinetic equation in one-dimensional cartesian geometry, to monoenergetic and multigroup problems. These equations are of the type stiff, due to large differences in the orders of magnitude of the time scales of the physical phenomena involved, which make them difficult to solve. The basic idea of the proposed method is applying the spectral expansion in the scalar flux and in the precursor concentration, taking moments and solving the resulting matrix problem by the Laplace transform technique. Bearing in mind that the equation for the precursor concentration is a first order linear differential equation in the time variable, to enable the application of the spectral method we introduce a fictitious diffusion term multiplied by a positive value which tends to zero. This procedure opened the possibility to find an analytical solution to the problem studied. We report numerical simulations and analysis of the results obtained with the precision controlled by the truncation order of the series. (author)

Metabonomic study of human serum in gallbladder cancer by 1H NMR spectroscopy

International Nuclear Information System (INIS)

Sonkar, Kanchan; Sinha, Neeraj; Behari, Anu; Kapoor, V.K.

2012-01-01

Gallbladder carcinoma (GBC) is one of the most lethal malignancies of upper gastrointestinal tract and it has the highest mortality rate in Chile and India. It has a very high incidence rates in northern India therefore it is also called as an Indian disease. There are several factors which play important role in development of gallbladder cancer including long-standing stones in gallbladder and alterations in composition of bile. Studies on gallstones and gallbladder tissues revealed that benign group can easily be discriminated from malignant group. Many proteomic studies have been performed for different cancers and several responsible serum protein markers have been identified but there is no such metabonomics study that shows the presence of any biomarker associated with gallbladder carcinoma. Identification of such biomarker would help immensely in the diagnostic of GBC. For this study we have collected blood samples (70; including patients from Chronic Cholecystitis (CC), XanthoGranulomatous Cholecystitis (XGC) and Gallbladder Cancer (GBC)) post-operatively (immediately after surgery) from patient undergoing cholecystectomy in Department of Surgical Gastroenterology, SGPGIMS. Control samples were also collected from 20 volunteers after 12 hrs of fasting. 4 ml of blood sample was collected and was allowed to clot in plastic tube for 30 min at room temperature in incubator. The serum was collected by centrifugation and samples were stored at -80 deg C till NMR experiments. 400 μL of serum was used for recording NMR spectra. NMR spectra were recorded at Bruker Avance 800 MHz spectrometer using CPMG pulse sequence with water presaturation. Control serum shows presence of various amino acids and low molecular weight metabolites. Detailed multivariate analysis along with markers found in serum associated with GBC will be presented. (author)

Employing socially driven techniques for framing, contextualization, and collaboration in complex analytical threads

Science.gov (United States)

Wollocko, Arthur; Danczyk, Jennifer; Farry, Michael; Jenkins, Michael; Voshell, Martin

2015-05-01

The proliferation of sensor technologies continues to impact Intelligence Analysis (IA) work domains. Historical procurement focus on sensor platform development and acquisition has resulted in increasingly advanced collection systems; however, such systems often demonstrate classic data overload conditions by placing increased burdens on already overtaxed human operators and analysts. Support technologies and improved interfaces have begun to emerge to ease that burden, but these often focus on single modalities or sensor platforms rather than underlying operator and analyst support needs, resulting in systems that do not adequately leverage their natural human attentional competencies, unique skills, and training. One particular reason why emerging support tools often fail is due to the gap between military applications and their functions, and the functions and capabilities afforded by cutting edge technology employed daily by modern knowledge workers who are increasingly "digitally native." With the entry of Generation Y into these workplaces, "net generation" analysts, who are familiar with socially driven platforms that excel at giving users insight into large data sets while keeping cognitive burdens at a minimum, are creating opportunities for enhanced workflows. By using these ubiquitous platforms, net generation analysts have trained skills in discovering new information socially, tracking trends among affinity groups, and disseminating information. However, these functions are currently under-supported by existing tools. In this paper, we describe how socially driven techniques can be contextualized to frame complex analytical threads throughout the IA process. This paper focuses specifically on collaborative support technology development efforts for a team of operators and analysts. Our work focuses on under-supported functions in current working environments, and identifies opportunities to improve a team's ability to discover new information and

A REVIEW ON PREDICTIVE ANALYTICS IN DATA MINING

OpenAIRE

Arumugam.S

2016-01-01

The data mining its main process is to collect, extract and store the valuable information and now-a-days it’s done by many enterprises actively. In advanced analytics, Predictive analytics is the one of the branch which is mainly used to make predictions about future events which are unknown. Predictive analytics which uses various techniques from machine learning, statistics, data mining, modeling, and artificial intelligence for analyzing the current data and to make predictions about futu...

Analytic observables in nuclear physics

International Nuclear Information System (INIS)

Borbely, I.

1980-05-01

The analytical dependence of quantum mechanical observables on their variables is discussed by using the assumption that the corresponding probability amplitudes are analytic functions. The properties of the cross section in the energy plane for spinless particles as well as the properties of the most general polarization observables in the cosdelta plane are considered in detail. In particular, the strength of the transfer pole for polarization observables is given. The practical possibilities to extract the different orbital momentum components of nuclei by extrapolation techniques are briefly outlined. (author)

Atmospheric deposition of heavy metals in transilvanian plateau of romania studied by the moss bio monitoring Technique employing nuclear and related analytical Techniques and gis technology

International Nuclear Information System (INIS)

Lucaciu, Adriana; Craciun, L.; Cuculeanu, V.; Eseanu, D.

2001-01-01

This paper presents data for 39 elements of 69 moss samples (Hypnum cupressiforme) collected in the Transilvanian Plateau of Romania. This results have obtained in the framework of the project Atmospheric Deposition of Heavy Metals in Rural and Urban Areas of Romania Studied by the Moss Bio monitoring Technique Employing Nuclear and Related Analytical Techniques and GIS Technology carried out under the auspices of the International Atomic Energy Agency, Vienna.The samples collected have been analyzed by ENAA with the exception of Cu, Cd, and Pb which were determined by AAS. IAEA certified materials were used to ensure the quality of the measurements. The regional concentration variations of selected elements are presented in the form of maps constructed by GIS technology. Extremely high values are observed for elements such as Cu, Zn, As and Sb in parts of this territory affected by local metal industries. The levels are among the highest observed in the world, and could be partly responsible for the unfortunate health situation in some of these areas

Safety assessment of genetically modified rice expressing human serum albumin from urine metabonomics and fecal bacterial profile.

Science.gov (United States)

Qi, Xiaozhe; Chen, Siyuan; Sheng, Yao; Guo, Mingzhang; Liu, Yifei; He, Xiaoyun; Huang, Kunlun; Xu, Wentao

2015-02-01

The genetically modified (GM) rice expressing human serum albumin (HSA) is used for non-food purposes; however, its food safety assessment should be conducted due to the probability of accidental mixture with conventional food. In this research, Sprague Dawley rats were fed diets containing 50% (wt/wt) GM rice expressing HSA or non-GM rice for 90 days. Urine metabolites were detected by (1)H NMR to examine the changes of the metabolites in the dynamic process of metabolism. Fecal bacterial profiles were detected by denaturing gradient gel electrophoresis to reflect intestinal health. Additionally, short chain fatty acids and fecal enzymes were investigated. The results showed that compared with rats fed the non-GM rice, some significant differences were observed in rats fed with the GM rice; however, these changes were not significantly different from the control diet group. Additionally, the gut microbiota was associated with blood indexes and urine metabolites. In conclusion, the GM rice diet is as safe as the traditional daily diet. Furthermore, urine metabonomics and fecal bacterial profiles provide a non-invasive food safety assessment rat model for genetically modified crops that are used for non-food/feed purposes. Fecal bacterial profiles have the potential for predicting the change of blood indexes in future. Copyright © 2014 Elsevier Ltd. All rights reserved.

State of practice and emerging application of analytical techniques of nuclear forensic analysis: highlights from the 4th Collaborative Materials Exercise of the Nuclear Forensics International Technical Working Group (ITWG)

International Nuclear Information System (INIS)

Schwantes, J.M.; Pellegrini, K.L.; Marsden, Oliva

2017-01-01

The Nuclear Forensics International Technical Working Group (ITWG) recently completed its fourth Collaborative Materials Exercise (CMX-4) in the 21 year history of the Group. This was also the largest materials exercise to date, with participating laboratories from 16 countries or international organizations. Exercise samples (including three separate samples of low enriched uranium oxide) were shipped as part of an illicit trafficking scenario, for which each laboratory was asked to conduct nuclear forensic analyses in support of a fictitious criminal investigation. In all, over 30 analytical techniques were applied to characterize exercise materials, for which ten of those techniques were applied to ITWG exercises for the first time. An objective review of the state of practice and emerging application of analytical techniques of nuclear forensic analysis based upon the outcome of this most recent exercise is provided. (author)

State of practice and emerging application of analytical techniques of nuclear forensic analysis: highlights from the 4th Collaborative Materials Exercise of the Nuclear Forensics International Technical Working Group (ITWG)

International Nuclear Information System (INIS)

Schwantes, Jon M.; Marsden, Oliva; Pellegrini, Kristi L.

2016-01-01

The Nuclear Forensics International Technical Working Group (ITWG) recently completed its fourth Collaborative Materials Exercise (CMX-4) in the 21 year history of the Group. This was also the largest materials exercise to date, with participating laboratories from 16 countries or international organizations. Moreover, exercise samples (including three separate samples of low enriched uranium oxide) were shipped as part of an illicit trafficking scenario, for which each laboratory was asked to conduct nuclear forensic analyses in support of a fictitious criminal investigation. In all, over 30 analytical techniques were applied to characterize exercise materials, for which ten of those techniques were applied to ITWG exercises for the first time. We performed an objective review of the state of practice and emerging application of analytical techniques of nuclear forensic analysis based upon the outcome of this most recent exercise is provided.

Bio- and chemiluminescence imaging in analytical chemistry

International Nuclear Information System (INIS)

Roda, Aldo; Guardigli, Massimo; Pasini, Patrizia; Mirasoli, Mara; Michelini, Elisa; Musiani, Monica

2005-01-01

Bio- and chemiluminescence imaging techniques combine the high sensitivity of bio- and chemiluminescence detection with the ability of current light imaging devices to localize and quantify light emission down to the single-photon level. These techniques have been successfully exploited for the development of sensitive analytical methods relying on the evaluation of the spatial distribution of the light emitted from a target sample. In this paper, we report on recent applications of bio- and chemiluminescence imaging for in vitro and in vivo assays, including: quantitative assays performed in various analytical formats, such as microtiter plates, microarrays and miniaturized analytical devices, used in the pharmaceutical, clinical, diagnostic and environmental fields; luminescence imaging microscopy based on enzymatic, immunohistochemical and in situ hybridization reactions for the localization of metabolites, enzymes, antigens and gene sequences in cells and tissues; whole-body luminescence imaging in live animals for evaluating biological and pathological processes and for pharmacological studies

An Investigation to Manufacturing Analytical Services Composition using the Analytical Target Cascading Method.

Science.gov (United States)

Tien, Kai-Wen; Kulvatunyou, Boonserm; Jung, Kiwook; Prabhu, Vittaldas

2017-01-01

As cloud computing is increasingly adopted, the trend is to offer software functions as modular services and compose them into larger, more meaningful ones. The trend is attractive to analytical problems in the manufacturing system design and performance improvement domain because 1) finding a global optimization for the system is a complex problem; and 2) sub-problems are typically compartmentalized by the organizational structure. However, solving sub-problems by independent services can result in a sub-optimal solution at the system level. This paper investigates the technique called Analytical Target Cascading (ATC) to coordinate the optimization of loosely-coupled sub-problems, each may be modularly formulated by differing departments and be solved by modular analytical services. The result demonstrates that ATC is a promising method in that it offers system-level optimal solutions that can scale up by exploiting distributed and modular executions while allowing easier management of the problem formulation.

Metabonomics-based analysis of Brachyspira pilosicoli's response to tiamulin reveals metabolic activity despite significant growth inhibition.

Science.gov (United States)

Le Roy, Caroline Ivanne; Passey, Jade Louise; Woodward, Martin John; La Ragione, Roberto Marcello; Claus, Sandrine Paule

2017-06-01

Pathogenic anaerobes Brachyspira spp. are responsible for an increasing number of Intestinal Spirochaetosis (IS) cases in livestock against which few approved treatments are available. Tiamulin is used to treat swine dysentery caused by Brachyspira spp. and recently has been used to handle avian intestinal spirochaetosis (AIS). The therapeutic dose used in chickens requires further evaluation since cases of bacterial resistance to tiamulin have been reported. In this study, we evaluated the impact of tiamulin at varying concentrations on the metabolism of B. pilosicoli using a 1 H-NMR-based metabonomics approach allowing the capture of the overall bacterial metabolic response to antibiotic treatment. Based on growth curve studies, tiamulin impacted bacterial growth even at very low concentration (0.008 μg/mL) although its metabolic activity was barely affected 72 h post exposure to antibiotic treatment. Only the highest dose of tiamulin tested (0.250 μg/mL) caused a major metabolic shift. Results showed that below this concentration, bacteria could maintain a normal metabolic trajectory despite significant growth inhibition by the antibiotic, which may contribute to disease reemergence post antibiotic treatment. Indeed, we confirmed that B. pilosicoli remained viable even after exposition to the highest antibiotic dose. This paper stresses the need to ensure new evaluation of bacterial viability post bacteriostatic exposure such as tiamulin to guarantee treatment efficacy and decrease antibiotic resistance development. Copyright © 2017 Elsevier Ltd. All rights reserved.

Identification of Microorganisms by Modern Analytical Techniques.

Science.gov (United States)

Buszewski, Bogusław; Rogowska, Agnieszka; Pomastowski, Paweł; Złoch, Michał; Railean-Plugaru, Viorica

2017-11-01

Rapid detection and identification of microorganisms is a challenging and important aspect in a wide range of fields, from medical to industrial, affecting human lives. Unfortunately, classical methods of microorganism identification are based on time-consuming and labor-intensive approaches. Screening techniques require the rapid and cheap grouping of bacterial isolates; however, modern bioanalytics demand comprehensive bacterial studies at a molecular level. Modern approaches for the rapid identification of bacteria use molecular techniques, such as 16S ribosomal RNA gene sequencing based on polymerase chain reaction or electromigration, especially capillary zone electrophoresis and capillary isoelectric focusing. However, there are still several challenges with the analysis of microbial complexes using electromigration technology, such as uncontrolled aggregation and/or adhesion to the capillary surface. Thus, an approach using capillary electrophoresis of microbial aggregates with UV and matrix-assisted laser desorption ionization time-of-flight MS detection is presented.

Semi-analytic solution to planar Helmholtz equation

Directory of Open Access Journals (Sweden)

Tukač M.

2013-06-01

Full Text Available Acoustic solution of interior domains is of great interest. Solving acoustic pressure fields faster with lower computational requirements is demanded. A novel solution technique based on the analytic solution to the Helmholtz equation in rectangular domain is presented. This semi-analytic solution is compared with the finite element method, which is taken as the reference. Results show that presented method is as precise as the finite element method. As the semi-analytic method doesn’t require spatial discretization, it can be used for small and very large acoustic problems with the same computational costs.

Pavement Performance : Approaches Using Predictive Analytics

Science.gov (United States)

2018-03-23

Acceptable pavement condition is paramount to road safety. Using predictive analytics techniques, this project attempted to develop models that provide an assessment of pavement condition based on an array of indictors that include pavement distress,...

Towards a green analytical laboratory: microextraction techniques as a useful tool for the monitoring of polluted soils

Science.gov (United States)

Lopez-Garcia, Ignacio; Viñas, Pilar; Campillo, Natalia; Hernandez Cordoba, Manuel; Perez Sirvent, Carmen

2016-04-01

Microextraction techniques are a valuable tool at the analytical laboratory since they allow sensitive measurements of pollutants to be carried out by means of easily available instrumentation. There is a large number of such procedures involving miniaturized liquid-liquid or liquid-solid extractions with the common denominator of using very low amounts (only a few microliters) or even none of organic solvents. Since minimal amounts of reagents are involved, and the generation of residues is consequently minimized, the approach falls within the concept of Green Analytical Chemistry. This general methodology is useful both for inorganic and organic pollutants. Thus, low amounts of metallic ions can be measured without the need of using ICP-MS since this instrument can be replaced by a simple AAS spectrometer which is commonly present in any laboratory and involves low acquisition and maintenance costs. When dealing with organic pollutants, the microextracts obtained can be introduced into liquid or gas chromatographs equipped with common detectors and there is no need for the most sophisticated and expensive mass spectrometers. This communication reports an overview of the advantages of such a methodology, and gives examples for the determination of some particular contaminants in soil and water samples The authors are grateful to the Comunidad Autonóma de la Región de Murcia , Spain (Fundación Séneca, 19888/GERM/15) for financial support

Analytical method comparisons for the accurate determination of PCBs in sediments

Energy Technology Data Exchange (ETDEWEB)

Numata, M.; Yarita, T.; Aoyagi, Y.; Yamazaki, M.; Takatsu, A. [National Metrology Institute of Japan, Tsukuba (Japan)

2004-09-15

National Metrology Institute of Japan in National Institute of Advanced Industrial Science and Technology (NMIJ/AIST) has been developing several matrix reference materials, for example, sediments, water and biological tissues, for the determinations of heavy metals and organometallic compounds. The matrix compositions of those certified reference materials (CRMs) are similar to compositions of actual samples, and those are useful for validating analytical procedures. ''Primary methods of measurements'' are essential to obtain accurate and SI-traceable certified values in the reference materials, because the methods have the highest quality of measurement. However, inappropriate analytical operations, such as incomplete extraction of analytes or crosscontamination during analytical procedures, will cause error of analytical results, even if one of the primary methods, isotope-dilution, is utilized. To avoid possible procedural bias for the certification of reference materials, we employ more than two analytical methods which have been optimized beforehand. Because the accurate determination of trace POPs in the environment is important to evaluate their risk, reliable CRMs are required by environmental chemists. Therefore, we have also been preparing matrix CRMs for the determination of POPs. To establish accurate analytical procedures for the certification of POPs, extraction is one of the critical steps as described above. In general, conventional extraction techniques for the determination of POPs, such as Soxhlet extraction (SOX) and saponification (SAP), have been characterized well, and introduced as official methods for environmental analysis. On the other hand, emerging techniques, such as microwave-assisted extraction (MAE), pressurized fluid extraction (PFE) and supercritical fluid extraction (SFE), give higher recovery yields of analytes with relatively short extraction time and small amount of solvent, by reasons of the high

User-Centered Evaluation of Visual Analytics

Energy Technology Data Exchange (ETDEWEB)

Scholtz, Jean C.

2017-10-01

visual analytics. A history of analysis and analysis techniques and problems is provided as well as an introduction to user-centered evaluation and various evaluation techniques for readers from different disciplines. The understanding of these techniques is imperative if we wish to support analysis in the visual analytics software we develop. Currently the evaluations that are conducted and published for visual analytics software are very informal and consist mainly of comments from users or potential users. Our goal is to help researchers in visual analytics to conduct more formal user-centered evaluations. While these are time-consuming and expensive to carryout, the outcomes of these studies will have a defining impact on the field of visual analytics and help point the direction for future features and visualizations to incorporate. While many researchers view work in user-centered evaluation as a less-than-exciting area to work, the opposite is true. First of all, the goal is user-centered evaluation is to help visual analytics software developers, researchers, and designers improve their solutions and discover creative ways to better accommodate their users. Working with the users is extremely rewarding as well. While we use the term “users” in almost all situations there are a wide variety of users that all need to be accommodated. Moreover, the domains that use visual analytics are varied and expanding. Just understanding the complexities of a number of these domains is exciting. Researchers are trying out different visualizations and interactions as well. And of course, the size and variety of data are expanding rapidly. User-centered evaluation in this context is rapidly changing. There are no standard processes and metrics and thus those of us working on user-centered evaluation must be creative in our work with both the users and with the researchers and developers.

Automated Big Traffic Analytics for Cyber Security

OpenAIRE

Miao, Yuantian; Ruan, Zichan; Pan, Lei; Wang, Yu; Zhang, Jun; Xiang, Yang

2018-01-01

Network traffic analytics technology is a cornerstone for cyber security systems. We demonstrate its use through three popular and contemporary cyber security applications in intrusion detection, malware analysis and botnet detection. However, automated traffic analytics faces the challenges raised by big traffic data. In terms of big data's three characteristics --- volume, variety and velocity, we review three state of the art techniques to mitigate the key challenges including real-time tr...

Capillary electromigration techniques for studying interactions between analytes and lipid dispersions

Czech Academy of Sciences Publication Activity Database

Wiedmer, S. K.; Lokajová, Jana

2013-01-01

Roč. 36, č. 1 (2013), s. 37-51 ISSN 1615-9306 Grant - others:Helsinki Research Funds (FI) 2105060 Institutional support: RVO:61388963 Keywords : electrokinetic chromatography * frontal analysis * liposome * microchips * partial filling Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 2.594, year: 2013

Isotropic and anisotropic surface wave cloaking techniques

International Nuclear Information System (INIS)

McManus, T M; Spada, L La; Hao, Y

2016-01-01

In this paper we compare two different approaches for surface waves cloaking. The first technique is a unique application of Fermat’s principle and requires isotropic material properties, but owing to its derivation is limited in its applicability. The second technique utilises a geometrical optics approximation for dealing with rays bound to a two dimensional surface and requires anisotropic material properties, though it can be used to cloak any smooth surface. We analytically derive the surface wave scattering behaviour for both cloak techniques when applied to a rotationally symmetric surface deformation. Furthermore, we simulate both using a commercially available full-wave electromagnetic solver and demonstrate a good level of agreement with their analytically derived solutions. Our analytical solutions and simulations provide a complete and concise overview of two different surface wave cloaking techniques. (paper)

Isotropic and anisotropic surface wave cloaking techniques

Science.gov (United States)

McManus, T. M.; La Spada, L.; Hao, Y.

2016-04-01

In this paper we compare two different approaches for surface waves cloaking. The first technique is a unique application of Fermat’s principle and requires isotropic material properties, but owing to its derivation is limited in its applicability. The second technique utilises a geometrical optics approximation for dealing with rays bound to a two dimensional surface and requires anisotropic material properties, though it can be used to cloak any smooth surface. We analytically derive the surface wave scattering behaviour for both cloak techniques when applied to a rotationally symmetric surface deformation. Furthermore, we simulate both using a commercially available full-wave electromagnetic solver and demonstrate a good level of agreement with their analytically derived solutions. Our analytical solutions and simulations provide a complete and concise overview of two different surface wave cloaking techniques.

Supercritical fluid analytical methods

International Nuclear Information System (INIS)

Smith, R.D.; Kalinoski, H.T.; Wright, B.W.; Udseth, H.R.

1988-01-01

Supercritical fluids are providing the basis for new and improved methods across a range of analytical technologies. New methods are being developed to allow the detection and measurement of compounds that are incompatible with conventional analytical methodologies. Characterization of process and effluent streams for synfuel plants requires instruments capable of detecting and measuring high-molecular-weight compounds, polar compounds, or other materials that are generally difficult to analyze. The purpose of this program is to develop and apply new supercritical fluid techniques for extraction, separation, and analysis. These new technologies will be applied to previously intractable synfuel process materials and to complex mixtures resulting from their interaction with environmental and biological systems

Fluvial sediment transport: Analytical techniques for measuring sediment load

International Nuclear Information System (INIS)

2005-07-01

Sediment transport data are often used for the evaluation of land surface erosion, reservoir sedimentation, ecological habitat quality and coastal sediment budgets. Sediment transport by rivers is usually considered to occur in two major ways: (1) in the flow as a suspended load and (2) along the bed as a bed load. This publication provides guidance on selected techniques for the measurement of particles moving in both modes in the fluvial environment. The relative importance of the transport mode is variable and depends on the hydraulic and sedimentary conditions. The potential user is directed in the selection of an appropriate technique through the presentation of operating principles, application guidelines and estimated costs. Techniques which require laboratory analysis are grab sample, pump sample, depth sample, point integrated and radioactive tracers. Techniques which will continuously record data are optical backscattering, nuclear transmission, single frequency acoustic and laser diffraction

Development and applications of microanalytical techniques

International Nuclear Information System (INIS)

Cholewa, M.

2005-05-01

The development of new analytical techniques is an essential part of our everyday life and is dictated by strong progress in modern science and technology. Both these areas require more precise information about materials and processes involved. Due to these requirements we have been observing a rapid growth in the development of techniques that require both a high spatial resolution and high sensitivity. Modern analytical techniques provide an important interface between science and applications. The works presented in this habilitation thesis span the period of almost 20 years. During this time the author has been leading the development and applications of several new analytical and micro analytical techniques which have been documented in this thesis. This development has required development of ideas, strong leadership, organisational skills, organisation of funds and groups to carry out the necessary work. In chapter 3 the use of the PIXE and XANES techniques described an investigation of permeability for selected elements inside cells. It was important to develop new protocols for sample preparation and analysis and a large number of cells were necessary in order to obtain meaningful data. This development was closely associated with work presented in chapter 4 where the role of sample damage under the MeV ion beam bombardment was investigated. At that time we were the leading group in the world to perform such studies. Chapter 5 describes development of new analytical techniques and its possible applications. Development of the SIHF has been probably the most demanding and difficult project and was described in chapter 6 and it was closely related with development of a diamond detector described in chapter 7. A great part of these works were performed by the author at the Micro Analytical Research Centre (MARC) in the School of Physics at the University of Melbourne in Australia. However, some works were performed at GSI in Germany and BNL in USA. (author)

Study of the analytic quality in the determinations of Cr, Fe, Mn, Cu, Zn, Pb and Hg through conventional and nuclear analytical techniques in mosses of the MATV; Estudio de la calidad analitica en las determinaciones de Cr, Fe, Mn, Cu, Zn, Pb y Hg a traves de tecnicas analiticas nucleares y convencionales en musgos de la ZMVT

Energy Technology Data Exchange (ETDEWEB)

Caballero S, B.

2013-07-01

To evaluate the environmental risks of air pollution and to facilitate the decision-making for control, is necessary to have the capacity to generate data with analytical quality. A comparison between nuclear (Neutron activation analysis and total reflection X-ray fluorescence spectrometry) and no nuclear analytical techniques (atomic absorption spectrometry and inductively coupled plasma optical emission spectrometry) for simultaneous determination of metal content (Cr, Cu, Fe, Hg, Mn, Pb and Zn) in mosses from Metropolitan Area of the Toluca Valley (MATV) was performed. Epiphytic mosses (Fabriona ciliaris and Leskea angustata) were sampled in two campaigns, 16 sites (urban, transition and natural) and were prepared for each technique. The biological certified reference materials were used for the quality control and to evaluate accuracy, precision, linearity, detection and quantification limits. Results show that nuclear analytical techniques and no nuclear applied in chemical analysis of Cr, Cu, Fe, Hg, Mn, Pb and Zn in moss from MATV are comparable and therefore all of these can potentially be used for this purpose. However, if its considered both, the performance parameters and economic/operational characteristics is widely recommended inductively coupled plasma optical emission spectrometry, conventional analytical technique, which showed the highest analytical grade quality. Also were observed spatial and temporal variations in the concentrations of Cr, Cu, Fe, Hg, Mn, Pb and Zn in mosses from MATV and was discussed its potential origin. The urban sites had the highest concentration of anthropogenic elements as Cr, Cu, Fe, Hg, Pb and Zn because are strongly impacted by roads with high vehicle traffic. (Author)

Analytic and numerical realizations of a disc galaxy

Science.gov (United States)

Stringer, M. J.; Brooks, A. M.; Benson, A. J.; Governato, F.

2010-09-01

Recent focus on the importance of cold, unshocked gas accretion in galaxy formation - not explicitly included in semi-analytic studies - motivates the following detailed comparison between two inherently different modelling techniques: direct hydrodynamical simulation and semi-analytic modelling. By analysing the physical assumptions built into the GASOLINE simulation, formulae for the emergent behaviour are derived which allow immediate and accurate translation of these assumptions to the GALFORM semi-analytic model. The simulated halo merger history is then extracted and evolved using these equivalent equations, predicting a strikingly similar galactic system. This exercise demonstrates that it is the initial conditions and physical assumptions which are responsible for the predicted evolution, not the choice of modelling technique. On this level playing field, a previously published GALFORM model is applied (including additional physics such as chemical enrichment and feedback from active galactic nuclei) which leads to starkly different predictions.

Library improvement through data analytics

CERN Document Server

Farmer, Lesley S J

2017-01-01

This book shows how to act on and make sense of data in libraries. Using a range of techniques, tools and methodologies it explains how data can be used to help inform decision making at every level. Sound data analytics is the foundation for making an evidence-based case for libraries, in addition to guiding myriad organizational decisions, from optimizing operations for efficiency to responding to community needs. Designed to be useful for beginners as well as those with a background in data, this book introduces the basics of a six point framework that can be applied to a variety of library settings for effective system based, data-driven management. Library Improvement Through Data Analytics includes: - the basics of statistical concepts - recommended data sources for various library functions and processes, and guidance for using census, university, or - - government data in analysis - techniques for cleaning data - matching data to appropriate data analysis methods - how to make descriptive statistics m...

Analytical chemistry in semiconductor manufacturing: Techniques, role of nuclear methods and need for quality control

International Nuclear Information System (INIS)

1989-06-01

This report is the result of a consultants meeting held in Gaithersburg, USA, 2-3 October 1987. The meeting was hosted by the National Bureau of Standards and Technology, and it was attended by 18 participants from Denmark, Finland, India, Japan, Norway, People's Republic of China and the USA. The purpose of the meeting was to assess the present status of analytical chemistry in semiconductor manufacturing, the role of nuclear analytical methods and the need for internationally organized quality control of the chemical analysis. The report contains the three presentations in full and a summary report of the discussions. Thus, it gives an overview of the need of analytical chemistry in manufacturing of silicon based devices, the use of nuclear analytical methods, and discusses the need for quality control. Refs, figs and tabs

Cognitive computing and big data analytics

CERN Document Server

Hurwitz, Judith; Bowles, Adrian

2015-01-01

MASTER THE ABILITY TO APPLY BIG DATA ANALYTICS TO MASSIVE AMOUNTS OF STRUCTURED AND UNSTRUCTURED DATA Cognitive computing is a technique that allows humans and computers to collaborate in order to gain insights and knowledge from data by uncovering patterns and anomalies. This comprehensive guide explains the underlying technologies, such as artificial intelligence, machine learning, natural language processing, and big data analytics. It then demonstrates how you can use these technologies to transform your organization. You will explore how different vendors and different industries are a

Analytical chemistry of nuclear materials

International Nuclear Information System (INIS)

1963-01-01

The last two decades have witnessed an enormous development in chemical analysis. The rapid progress of nuclear energy, of solid-state physics and of other fields of modern industry has extended the concept of purity to limits previously unthought of, and to reach the new dimensions of these extreme demands, entirely new techniques have been invented and applied and old ones have been refined. Recognizing these facts, the International Atomic Energy Agency convened a Panel on Analytical Chemistry of Nuclear Materials to discuss the general problems facing the analytical chemist engaged in nuclear energy development, particularly in newly developing centre and countries, to analyse the represent situation and to advise as to the directions in which research and development appear to be most necessary. The Panel also discussed the analytical programme of the Agency's laboratory at Seibersdorf, where the Agency has already started a programme of international comparison of analytical methods which may lead to the establishment of international standards for many materials of interest. Refs and tabs

Analytical Chemistry Laboratory progress report for FY 1985

Energy Technology Data Exchange (ETDEWEB)

Green, D.W.; Heinrich, R.R.; Jensen, K.J.

1985-12-01

The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of technical support services to the scientific and engineering programs at ANL. In addition, ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques. The purpose of this report is to summarize the technical and administrative activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1985 (October 1984 through September 1985). This is the second annual report for the ACL. 4 figs., 1 tab.

Analytical Chemistry Laboratory progress report for FY 1985

International Nuclear Information System (INIS)

Green, D.W.; Heinrich, R.R.; Jensen, K.J.

1985-12-01

The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of technical support services to the scientific and engineering programs at ANL. In addition, ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques. The purpose of this report is to summarize the technical and administrative activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1985 (October 1984 through September 1985). This is the second annual report for the ACL. 4 figs., 1 tab

The investigation of immunoprotective and sedative hypnotic effect of total polysaccharide from Suanzaoren decoction by serum metabonomics approach.

Science.gov (United States)

Niu, Xiaoyi; He, Bosai; Du, Yiyang; Sui, Zhenyu; Rong, Weiwei; Wang, Xiaotong; Li, Qing; Bi, Kaishun

2018-06-01

Suanzaoren decoction, as one of the traditional Chinese medicine prescriptions, has been most commonly used in Asian countries and reported to inhibit the process of immunodeficiency insomnia. Polysaccharide is important component which also contributes to the role of immunoprotective and sedative hypnotic effects. This study was aimed to explore the immunoprotective and sedative hypnotic mechanisms of polysaccharide from Suanzaoren decoction by serum metabonomics approach. With this purpose, complex physical and chemical immunodeficiency insomnia models were firstly established according to its multi-target property. Serum samples were analyzed using UHPLC/Q-TOF-MS spectrometry approach to determine endogenous metabolites. Then, principal component analysis was used to distinguish the groups, and partial least squares discriminate analysis was carried out to confirm the important variables. The serum metabolic profiling was identified and pathway analysis was performed after the total polysaccharide administration. The twenty-one potential biomarkers were screened, and the levels were all reversed to different degrees in the total polysaccharide treated groups. These potential biomarkers were mainly related to vitamin, sphingolipid, bile acid, phospholipid and acylcarnitine metabolisms. The result has indicated that total polysaccharide could inhibit insomnia triggered by immunodeficiency stimulation through regulating those metabolic pathways. This study provides a useful approach for exploring the mechanism and evaluating the efficacy of total polysaccharide from Suanzaoren decoction. Copyright © 2018 Elsevier B.V. All rights reserved.

Approximated and User Steerable tSNE for Progressive Visual Analytics

NARCIS (Netherlands)

Pezzotti, N.; Lelieveldt, B.P.F.; van der Maaten, L.J.P.; Hollt, T.; Eisemann, E.; Vilanova Bartroli, A.

2016-01-01

Progressive Visual Analytics aims at improving the interactivity in existing analytics techniques by means of visualization as well as interaction with intermediate results. One key method for data analysis is dimensionality reduction, for example, to produce 2D embeddings that can be visualized and

Applications of nuclear analytical techniques in human nutrition research as exemplified by research programmes of the International Atomic Energy Agency

International Nuclear Information System (INIS)

Parr, R.M.

1987-01-01

In human nutrition research, nuclear analytical techniques, particularly neutron activation analysis (NAA), are used mainly for the in vitro study of trace elements. According to work sponsored by the IAEA, up to 15 trace elements and 5 minor elements of nutritional interest may be determined in biological materials by NAA with good accuracy and precision. A programme is described in which NAA was used for the determination of 14 trace elements and one minor element in human milk. NAA also plays an important role in the certification of reference materials for nutritional studies. (author) 17 refs.; 6 tables

ICP-MS as advantageous analytical technique for the determination of long-lived /sup 99/Tc in the environment

International Nuclear Information System (INIS)

Ihsanullah

1992-05-01

Technetium (Tc) was the first artificially created by man and has no stable isotope. The most crucial technetium isotope environmentally /sup 99/Tc is a pure beta emitter with a half-life of 2.1 X 105 years. The main source of /sup 99/Tc to the environment is the disposal of liquid wastes from nuclear installations or during separation and recovery of spent nuclear fuels. Because of its long half life, high fission yield, mobility and current interest in the collective long term doses, it is necessary to establish a knowledge of the behavior of /sup 99/Tc in the environment for complete assessment of the impact of nuclear industry. Due to various analytical difficulties however, data on the behavior of Tc in the environment are limited. In the literature, many techniques are reported for the analysis of Tc. A very sensitive, precise and powerful technique is required which can be applied to environmental samples in order to gain information by obtaining more precise data to assess the impact of Tc releases on man. Attention has been focussed for this purpose on a new powerful technique i.e. inductively coupled plasma mass spectrometry (ICP-MS). This report has been directed towards the development of ICP-MS. The technique gives a very high sensitivity enabling long lived radionuclides including /sup 99/Tc to be measured directly down to pg ml-1 levels in solution. Because of its versatility ICP-MS is finding applications for trace multielement analysis and low detection limits in almost all fields. (author)

IMPROVING THE STUDENTS‘ READING COMPREHENSION THROUGH KNOW-WANT-LEARN (KWL TECHNIQUE TO TEACH ANALYTICAL EXPOSITION ( Class Action Research

Directory of Open Access Journals (Sweden)

Meike Imelda Wachyu

2017-12-01

Full Text Available This study is aimed at finding out the impacts of the use of Know-Want-Learn technique in improving the reading comprehension to teach analytical exposition among eleventh grade students of SMA N 2 Indramayu in the academic year of 2017/2018. The study was action research in two research cycles. In the study, the researcher collaborated with the English teachers and the students. The data of this study were qualitative in nature supported by quantitative data. Qualitative data were obtained from the results of classroom observation and collaborators‘ discussion. Quantitative data were obtained from pre-test and post test results. The instruments for collecting the data were observation guides, interview guides, and the pre-test and posttest. The data were in the form of field notes, interview transcripts, and the scores of the students‘ pre-test and posttest. The results of the two cycles show that the use of Know-WantLearn technique is effective to improve the students‘ reading comprehension. It is supported by the qualitative data which show that (1 Know-Want-Learn technique can help the teacher to scaffold the students‘ comprehension of the text by focusing on the steps before, during, and after reading; (2 Know-Want-Learn technique can help the students to preview the text, assess what they have learned after reading, and motivate their interest in reading; (3 The kind of activities given such as preeteaching vocabulary, using skimming and scanning, using fix-up strategies, and guessing meaning can help the students to read the text efficiently.

Problem Formulation in Knowledge Discovery via Data Analytics (KDDA) for Environmental Risk Management.

Science.gov (United States)

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.

Problem Formulation in Knowledge Discovery via Data Analytics (KDDA) for Environmental Risk Management

Science.gov (United States)

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

Serum metabonomics of NAFLD plus T2DM based on liquid chromatography-mass spectrometry.

Science.gov (United States)

Chen, Yang; Li, Chunlong; Liu, Liyan; Guo, Fuchuan; Li, Songtao; Huang, Lina; Sun, Changhao; Feng, Rennan

2016-09-01

Nonalcoholic fatty liver disease (NAFLD), a main liver disease around the world, is closely associated with insulin resistance, type 2 diabetes mellitus (T2DM) and other metabolic diseases. The objective of this study is to identify distinct metabolites of NAFLD patients with or without T2DM. We used a biomarker-discovery population to find distinct metabolites of NAFLD patients with or without T2DM. Then, a validation population was applied to test the model of the biomarker-discovery population. All the individuals received anthropometric and common biochemical measurements. The metabolic data were analyzed by multivariable statistical analyses using ultra-high-performance liquid chromatography/quadrupole time-of-flight-tandem mass spectrometry. There were 7, 7, 2 metabolites in the positive electrospray ionization (ESI(+)) mode, which were identified between groups from both the biomarker-discovery and validation population. The NAFLD group showed higher concentrations of oleamide, l-phenylalanine, l-proline, bilirubin, l-palmitoylcarnitine, and PC (20:5) and a lower concentration of Lyso-PAF C-18 than those of control. Compared with the control group, the NAFLD+T2DM group displayed higher oleamide, l-leucine, LysoPC (14:0), bilirubin, tetradecenoylcarnitine, linoleyl carnitine, and tetradecadiencarnitine in serum. Tetradecenoylcarnitine and tetradecadiencarnitine were more elevated in patients with NAFLD+T2DM than in the NAFLD group. Serum metabonomic analyses displayed great metabolic changes in patients with NAFLD and NAFLD plus T2DM. Our study is beneficial in providing a further view into the pathogenesis and pathophysiology of NAFLD and NAFLD plus T2DM, which might be useful for the prevention and therapy of NAFLD and NAFLD plus T2DM. Copyright © 2016 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

Cerebral metabonomics study on Parkinson's disease mice treated with extract of Acanthopanax senticosus harms.

Science.gov (United States)

Li, Xu-zhao; Zhang, Shuai-nan; Lu, Fang; Liu, Chang-feng; Wang, Yu; Bai, Yu; Wang, Na; Liu, Shu-min

2013-10-15

Extract of Acanthopanax senticosus harms (EAS) has neuroprotective effect on Parkinson's disease (PD) mice against dopaminergic neuronal damage. However, studies of its anti-PD mechanism are challenging, owing to the complex pathophysiology of PD, and complexity of EAS with multiple constituents acting on different metabolic pathways. Here, we have investigated the metabolic profiles and potential biomarkers in a mice model of MPTP-induced PD after treatment of EAS. Metabonomics based on ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) was used to profile the metabolic fingerprints of mesencephalon obtained from 1-Methyl-4-phenyl-1, 2, 3, 6-tetrahydropyridine Hydrochloride (MPTP-HCl)-induced PD mice model with and without EAS treatment. Through partial least squares-discriminate analysis (PLS-DA), it was observed that metabolic perturbations induced by MPTP were restored after treatment with EAS. Metabolites with significant changes induced by MPTP, including L-dopa, 5'-methylthioadenosine, tetradecanoylcarnitine, phytosphingosine-1-P, Cer(d18:0/18:0), LysoPC(20:4(5Z,8Z,11Z,14Z)), L-palmitoyl -carnitine, tetracosanoylglycine, morphiceptin and stearoylcarnitine, were characterized as potential biomarkers involved in the pathogenesis of PD. The derivations of all those biomarkers can be regulated by EAS treatment except Cer(d18:0/18:0), LysoPC(20:4(5Z,8Z,11Z,14Z)), morphiceptin. The therapeutic effect of EAS on PD may involve in regulating the tyrosine metabolism, mitochondrial beta-oxidation of long chain saturated fatty acids, fatty acid metabolism, methionine metabolism, and sphingolipid metabolism. This study indicated that changed metabolites can be certainly recovered by EAS, and the treatment of EAS can be connected with the regulation of related metabolic pathways. Copyright © 2013 Elsevier GmbH. All rights reserved.

Recent advances in nuclear techniques for environmental radioactivity monitoring

International Nuclear Information System (INIS)

Kumar, Ajay; Tripathi, R.M.

2016-01-01

The environmental radioactivity monitoring was first started in the late 1950s following the global fallout from testing of nuclear weapons in the atmosphere. Nuclear analytical techniques are generally classified into two categories: destructive and non-destructive. Destructive techniques are carried out through several analytical methods such as α-spectrometry, liquid Scintillation counting system, solid state nuclear track detector, spectrophotometry, fluorimetry, atomic absorption spectrometry (AAS), inductively coupled plasma mass spectrometry (ICP-MS), inductively coupled plasma optical emission spectrometry (ICP-OES), chromatography techniques, electro-analytical techniques etc. However, nondestructive methods include gamma spectrometry, X-Ray fluorescence (XRF) spectrometry, neutron activation analysis (NAA) etc. The development of radiochemical methods and measurement techniques using alpha and gamma spectrometry have been described in brief

A calibration method for fringe reflection technique based on the analytical phase-slope description

Science.gov (United States)

Wu, Yuxiang; Yue, Huimin; Pan, Zhipeng; Liu, Yong

2018-05-01

The fringe reflection technique (FRT) has been one of the most popular methods to measure the shape of specular surface these years. The existing system calibration methods of FRT usually contain two parts, which are camera calibration and geometric calibration. In geometric calibration, the liquid crystal display (LCD) screen position calibration is one of the most difficult steps among all the calibration procedures, and its accuracy is affected by the factors such as the imaging aberration, the plane mirror flatness, and LCD screen pixel size accuracy. In this paper, based on the deduction of FRT analytical phase-slope description, we present a novel calibration method with no requirement to calibrate the position of LCD screen. On the other hand, the system can be arbitrarily arranged, and the imaging system can either be telecentric or non-telecentric. In our experiment of measuring the 5000mm radius sphere mirror, the proposed calibration method achieves 2.5 times smaller measurement error than the geometric calibration method. In the wafer surface measuring experiment, the measurement result with the proposed calibration method is closer to the interferometer result than the geometric calibration method.

Development of an analytical model for the determination of 60Co in aqueous samples by atomic absorption and gamma spectrometry techniques

International Nuclear Information System (INIS)

Solis A, N. A.

2015-01-01

The applications of the nuclear energy in industry and medicine generate radioactive wastes that must be isolated and confined in order to limit its spread in the biosphere. These types of wastes are generated in hospitals, industry, research centers and nuclear power plants (during de fuel cycle). The radioactive elements (radionuclides) cannot be destroyed by any known method, either chemical or mechanical. Its final destruction is produced by radioactive decay, which makes them stable isotopes, or nuclear transmutation being bombarded with atomic particles. Consequently, the radioactive waste management is to control the radioactive discharges and reduce to tolerable limits, eliminating of effluents and wastes the radionuclides of interest, concentrating them so they can be stored or evacuated so that later not appear in dangerous concentration in the biosphere. In Mexico, the main generators of radioactive wastes are the nuclear power plant of Laguna Verde in Veracruz, Hospitals of the public and private sector, in addition Instituto Nacional de Investigaciones Nucleares (ININ) some institutes and facilities of the UNAM and Instituto Politecnico Nacional (IPN) and industries among others. The aqueous radioactive wastes, particularly those from the nuclear power plants contain traces of cobalt-60. Currently there is no model or analytical technique for the separation of this radionuclide, so it became necessary to develop an analytical model for separation and facilitate their disposal. In this paper was shown that atomic absorption and gamma spectrometry techniques can separate the active concentration of the inactive, which is important because the total concentration can be associated through direct relationships with the wear of metal parts of the nuclear reactor, since the metal alloys of the same reactor containing a fraction of cobalt. Also this analytical and mathematical model that can be reproducible and applicable to full sets of samples and that this

Integration of datasets from different analytical techniques to assess the impact of nutrition on human metabolome

Directory of Open Access Journals (Sweden)

Pamela eVernocchi

2012-12-01

Full Text Available Bacteria colonizing the human intestinal tract exhibit a high phylogenetic diversity that reflects their immense metabolic potentials. The catalytic activity of gut microbes has an important impact on gastrointestinal (GI functions and host health. The microbial conversion of carbohydrates and other food components leads to the formation of a large number of compounds that affect the host metabolome and have beneficial or adverse effects on human health. Meabolomics is a metabolic-biology system approach focused on the metabolic responses understanding of living systems to physio-pathological stimuli by using multivariate statistical data on human body fluids obtained by different instrumental techniques. A metabolomic approach based on an analytical platform could be able to separate, detect, characterize and quantify a wide range of metabolites and its metabolic pathways. This approach has been recently applied to study the metabolic changes triggered in the gut microbiota by specific diet components and diet variations, specific diseases, probiotic and synbiotic food intake.This review describes the metabolomic data obtained by analyzing human fluids by using different techniques and particularly Gas Chromatography Mass Spectrometry Solid-phase Micro Extraction (GC-MS/SPME, Proton Nuclear Magnetic Resonance (1H-NMR Spectroscopy and Fourier Transform Infrared (FTIR Spectroscopy. This instrumental approach have a good potential in the identification and detection of specific food intake and diseases biomarkers.

Carbon and nitrogen determination in Zr by photon or proton activation analysis. Comparison between the results obtained by this method and other analytical techniques

International Nuclear Information System (INIS)

Petit, J.; Gosset, J.; Engelmann, C.

1977-01-01

Carbon and nitrogen are determined by the following nuclear reactions: 12 C(γ,n) 11 C and 14 N(p,α) 11 C. The performances of the method and the main interferences are considered. The process developed for the separation of carbon-11 from zirconium is described and its efficiency evaluated. The results obtained are compared with those given by different laboratories using various analytical techniques [fr

Novel analytical methods for characterising binding media and protective coatings in artworks

International Nuclear Information System (INIS)

Domenech-Carbo, Maria Teresa

2008-01-01