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Analytical Toxicology

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https://www.readbyqxmd.com/read/27919805/uplc-ms-for-metabolomics-a-giant-step-forward-in-support-of-pharmaceutical-research
#1
REVIEW
Ala F Nassar, Terence Wu, Samuel F Nassar, Adam V Wisnewski
Metabolomics is a relatively new and rapidly growing area of post-genomic biological research. As use of metabolomics technology grows throughout the spectrum of drug discovery and development, and its applications broaden, its impact is expanding dramatically. This review seeks to provide the reader with a brief history of the development of metabolomics, its significance and strategies for conducting metabolomics studies. The most widely used analytical tools for metabolomics: NMR, LC-MS and GC-MS, are discussed along with considerations for their use...
December 2, 2016: Drug Discovery Today
https://www.readbyqxmd.com/read/27918432/recent-advances-and-future-challenges-in-modified-mycotoxin-analysis-why-hrms-has-become-a-key-instrument-in-food-contaminant-research
#2
REVIEW
Laura Righetti, Giuseppe Paglia, Gianni Galaverna, Chiara Dall'Asta
Mycotoxins are secondary metabolites produced by pathogenic fungi in crops worldwide. These compounds can undergo modification in plants, leading to the formation of a large number of possible modified forms, whose toxicological relevance and occurrence in food and feed is still largely unexplored. The analysis of modified mycotoxins by liquid chromatography-mass spectrometry remains a challenge because of their chemical diversity, the large number of isomeric forms, and the lack of analytical standards. Here, the potential benefits of high-resolution and ion mobility mass spectrometry as a tool for separation and structure confirmation of modified mycotoxins have been investigated/reviewed...
December 2, 2016: Toxins
https://www.readbyqxmd.com/read/27915431/time-dependent-postmortem-redistribution-of-morphine-and-its-metabolites-in-blood-and-alternative-matrices-application-of-ct-guided-biopsy-sampling
#3
Sandra N Staeheli, Dominic Gascho, Lars C Ebert, Thomas Kraemer, Andrea E Steuer
Interpretation of postmortem morphine concentrations in forensic toxicology provides several pitfalls such as missing information on tolerance, analyte stability, or postmortem redistribution (PMR). Recently, it had been shown that computed tomography (CT)-guided collection of biopsies using a robotic arm (virtobot) provides a valuable strategy for systematic studies on time-dependent PMR. Using this technique, time-dependent PMR of morphine and its metabolites was investigated in 12 cases. At admission to the institute (t1), femoral and heart blood (right ventricle) as well as biopsies from the right lung, the right kidney, liver, spleen, and muscle tissue were collected...
December 3, 2016: International Journal of Legal Medicine
https://www.readbyqxmd.com/read/27905399/cellular-reactions-to-long-term-volatile-organic-compound-voc-exposures
#4
Johanna M Gostner, Johannes Zeisler, Mohammad Tauqeer Alam, Peter Gruber, Dietmar Fuchs, Kathrin Becker, Kerstin Neubert, Markus Kleinhappl, Stefan Martini, Florian Überall
Investigations of cellular processes initiated by volatile organic compounds (VOCs) are limited when modelling realistic long-term exposure scenarios at low concentrations. Exposure to indoor VOCs is associated with a range of adverse effects, but data on molecular changes at regulatory threshold limits are lacking. Activity analysis of VOC in vitro can be a valuable complement to inhalation toxicological evaluations. We developed an exposure platform that generates a stable VOC atmosphere and allows the exposure of cells for longer periods...
December 1, 2016: Scientific Reports
https://www.readbyqxmd.com/read/27881618/simultaneous-screening-and-quantification-of-basic-neutral-and-acidic-drugs-in-blood-using-uplc-qtof-ms
#5
Sergei Bidny, Kim Gago, Phuong Chung, Desdemona Albertyn, Daniel Pasin
An analytical method using ultra performance liquid chromatography (UPLC) quadrupole time-of-flight mass spectrometry (QTOF-MS) was developed and validated for the targeted toxicological screening and quantification of commonly used pharmaceuticals and drugs of abuse in postmortem blood using 100 µL sample. It screens for more than 185 drugs and metabolites and quantifies more than 90 drugs. The selected compounds include classes of pharmaceuticals and drugs of abuse such as: antidepressants, antipsychotics, analgesics (including narcotic analgesics), anti-inflammatory drugs, benzodiazepines, beta-blockers, amphetamines, new psychoactive substances (NPS), cocaine and metabolites...
November 22, 2016: Journal of Analytical Toxicology
https://www.readbyqxmd.com/read/27873001/1-2-dimethylimidazole-4-sulfonyl-chloride-dmisc-a-novel-derivatization-strategy-for-the-analysis-of-propofol-by-lc-esi-ms-ms
#6
Alexandra Maas, Christoph Maier, Beate Michel-Lauter, Burkhard Madea, Cornelius Hess
Analysis of the anesthetic agent propofol in biological samples by LC-MS/MS is a great challenge due to weak fragmentation and poor ionization efficacy of propofol resulting in weak signal intensities. Improvements of the ionization and fragmentation efficacy can be achieved by conversion of propofol to its dimethylimidazolesulfonyl (DMIS) derivative by a derivatization reaction using 1,2-dimethylimidazole-4-sulfonyl chloride (DMISC). This DMIS derivative produced intense [M + H](+) ions in positive-ion LC-ESI-MS/MS with the dimethylimidazole moieties representing the most abundant product ions...
November 21, 2016: Analytical and Bioanalytical Chemistry
https://www.readbyqxmd.com/read/27863142/identification-and-analytical-characterization-of-nine-synthetic-cathinone-derivatives-n-ethylhexedrone-4-cl-pentedrone-4-cl-%C3%AE-eapp-propylone-n-ethylnorpentylone-6-meo-bk-mdma-%C3%AE-pihp-4-cl-%C3%AE-php-and-4-f-%C3%AE-php
#7
Cuimei Liu, Wei Jia, Tao Li, Zhendong Hua, Zhenhua Qian
Clinical and forensic toxicology laboratories are continuously confronted by analytical challenges when dealing with the new psychoactive substances phenomenon. In this study, the analytical characterization of nine synthetic cathinones is described: 2-(ethylamino)-1-phenylhexan-1-one (N-ethylhexedrone 1), 1-(4-chlorophenyl)-2-(methylamino)pentan-1-one (4-Cl-pentedrone 2), 1-(4-chlorophenyl)-2-(ethylamino)pentan-1-one (4-Cl-α-EAPP 3), 1-(3,4-methylenedioxyphenyl)-2-propylaminopropan-1-one (propylone 4), 1-(3,4-methylenedioxyphenyl)-2-ethylaminopentan-1-one (N-ethylnorpentylone 5), 1-(6-methoxy-3,4-methylenedioxyphenyl)-2-methylaminopropan-1-one (6-MeO-bk-MDMA 6), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP 7), 1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-Cl-α-PHP 8), and 1-(4-fluorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-F-α-PHP 9)...
November 9, 2016: Drug Testing and Analysis
https://www.readbyqxmd.com/read/27855972/transformation-products-in-the-water-cycle-and-the-unsolved-problem-of-their-proactive-assessment-a-combined-in-vitro-in-silico-approach
#8
Jakob Menz, Anju Priya Toolaram, Tushar Rastogi, Christoph Leder, Oliver Olsson, Klaus Kümmerer, Mandy Schneider
Transformation products (TPs) emerging from incomplete degradation of micropollutants in aquatic systems can retain the biological activity of the parent compound, or may even possess new unexpected toxic properties. The chemical identities of these substances remain largely unknown, and consequently, the risks caused by their presence in the water cycle cannot be assessed thoroughly. In this study, a combined approach for the proactive identification of hazardous elements in the chemical structures of TPs, comprising analytical, bioanalytical and computational methods, was assessed by the example of the pharmaceutically active micropollutant propranolol (PPL)...
November 15, 2016: Environment International
https://www.readbyqxmd.com/read/27842784/common-interferences-in-drug-testing
#9
REVIEW
Michael P Smith, Martin H Bluth
Interferences relating to laboratory toxicology testing refer to results which differ from their true value and are often encountered in the setting of a drug screen compared with confirmatory testing. Such interferences fall into two general categories; those that cause false positive results (when a drug screen is positive but confirmatory testing is negative) and those that cause false negative results (when a drug screen is negative when in reality the sample donor has ingested the tested substance). Such interferences can result from differences in laboratory testing methodology, reagent and analyte cross reactivity, limits of analyte detection, instrument resolution, reporting cutoff, sample processing, tissue type and sample adulteration among others...
December 2016: Clinics in Laboratory Medicine
https://www.readbyqxmd.com/read/27842783/liquid-chromatography-tandem-mass-spectrometry-an-emerging-technology-in-the-toxicology-laboratory
#10
REVIEW
Yan Victoria Zhang, Bin Wei, Yu Zhu, Yanhua Zhang, Martin H Bluth
In the last decade, liquid chromatography-tandem mass spectrometry (LC-MS/MS) has seen enormous growth in routine toxicology laboratories. LC-MS/MS offers significant advantages over other traditional testing, such as immunoassay and gas chromatography-mass spectrometry methodologies. Major strengths of LC-MS/MS include improvement in specificity, flexibility, and sample throughput when compared with other technologies. Here, the basic principles of LC-MS/MS technology are reviewed, followed by advantages and disadvantages of this technology compared with other traditional techniques...
December 2016: Clinics in Laboratory Medicine
https://www.readbyqxmd.com/read/27834143/distribution-of-synthetic-cannabinoids-jwh-210-rcs-4-and-%C3%A2-9-tetrahydrocannabinol-after-intravenous-administration-to-pigs
#11
Nadine Schaefer, Mattias Kettner, Matthias W Laschke, Julia Schlote, Andreas H Ewald, Michael D Menger, Hans H Maurer, Peter H Schmidt
Synthetic cannabinoids (SCs) have become an increasing issue in forensic toxicology. Controlled human studies evaluating pharmacokinetic data of SCs are lacking and only few animal studies have been published. Thus, an interpretation of analytical results found in intoxicated or poisoned individuals is difficult. Therefore, the distribution of two selected SCs, namely 4-ethylnaphthalen-1-yl-(1-pentylindol-3-yl)methanone (JWH-210) and 2-(4-methoxyphenyl)-1-(1-pentyl-indol-3-yl)methanone (RCS-4) as well as ∆9-tetrahydrocannabinol (THC) as reference were examined in pigs...
November 11, 2016: Current Neuropharmacology
https://www.readbyqxmd.com/read/27825624/quantification-of-suvorexant-in-urine-using-gas-chromatography-mass-spectrometry
#12
Mariah Carson, Sarah Kerrigan
Suvorexant (Belsomra(®)) is a novel sedative hypnotic drug that is prescribed to promote sleep in patients with insomnia. It is the first of a new class of drugs classified as dual orexin receptor antagonists (DORAs). Sedative hypnotics with central nervous system depressant effects feature prominently in forensic toxicology investigations. For this reason, a new analytical method was developed to identify suvorexant in urine using liquid-liquid extraction (LLE) and gas chromatography/mass spectrometry (GC/MS)...
November 2, 2016: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
https://www.readbyqxmd.com/read/27814027/harnessing-big-data-for-systems-pharmacology
#13
Lei Xie, Eli J Draizen, Philip E Bourne
Systems pharmacology aims to holistically understand mechanisms of drug actions to support drug discovery and clinical practice. Systems pharmacology modeling (SPM) is data driven. It integrates an exponentially growing amount of data at multiple scales (genetic, molecular, cellular, organismal, and environmental). The goal of SPM is to develop mechanistic or predictive multiscale models that are interpretable and actionable. The current explosions in genomics and other omics data, as well as the tremendous advances in big data technologies, have already enabled biologists to generate novel hypotheses and gain new knowledge through computational models of genome-wide, heterogeneous, and dynamic data sets...
October 13, 2016: Annual Review of Pharmacology and Toxicology
https://www.readbyqxmd.com/read/27803290/deciphering-sources-of-variability-in-clinical-pathology-it-s-not-just-about-the-numbers
#14
Niraj K Tripathi, Nancy E Everds, A Eric Schultze, Armando R Irizarry, Robert L Hall, Anne Provencher, Adam Aulbach
The objectives of this session were to explore causes of variability in clinical pathology data due to preanalytical and analytical variables as well as study design and other procedures that occur in toxicity testing studies. The presenters highlighted challenges associated with such variability in differentiating test article-related effects from the effects of experimental procedures and its impact on overall data interpretation. These presentations focused on preanalytical and analytical variables and study design-related factors and their influence on clinical pathology data, and the importance of various factors that influence data interpretation including statistical analysis and reference intervals...
November 1, 2016: Toxicologic Pathology
https://www.readbyqxmd.com/read/27799033/non-allowed-pharmacologically-active-substances-in-physical-and-sexual-performance-enhancing-products
#15
Manuela Pellegrini, Maria Concetta Rotolo, Francesco Paolo Busardò, Roberta Pacifici, Simona Pichini
Recently, a large amount of physical and sexual performance enhancing products have started to be freely sold mainly on internet web sites as dietary supplements. However, there a high suspicion that pharmacologically active substance, prohibited in these products, can be present to provide the expected effect. A simple and rapid systematic toxicological analysis by gas chromatography-mass spectrometry and liquid chromatography-tandem mass spectrometry has been applied after a liquid-liquid extraction at acidic, neutral and alkaline pH with chloroform-isopropanol (9:1 v/v)...
October 28, 2016: Current Neuropharmacology
https://www.readbyqxmd.com/read/27788407/determination-of-clozapine-and-five-antidepressants-in-human-plasma-serum-and-whole-blood-by-gas-chromatography-mass-spectrometry-a-simple-tool-for-clinical-and-postmortem-toxicological-analysis
#16
Vassiliki A Boumba, George Rallis, Petros Petrikis, Theodore Vougiouklakis, Venetsanos Mavreas
In this study, we describe a simple and rapid method for the determination of the antipsychotic drug clozapine and five commonly co-administered antidepressants - bupropion, mirtazapine, sertraline, clomipramine and citalopram - in serum, plasma and whole blood. Sample preparation includes solid phase extraction of analytes and determination of drug concentrations by gas chromatography-mass spectrometry without any derivatization steps. The method was fully validated according to international criteria and can be successfully applied for routine analyses...
October 21, 2016: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
https://www.readbyqxmd.com/read/27783122/development-of-an-analytical-method-to-determine-oxy-pahs-and-pahs-in-taxus-baccata-leaves
#17
Christophe Walgraeve, Patrick De Wispelaere, Fé Van der Elst, Herman Van Langenhove
An analytical method was developed and optimized for the quantification of 16 polycyclic aromatic hydrocarbons (PAHs) and 12 oxygenated PAHs in Taxus baccata leaves. Emphasis was given to the development of an in-cell cleanup step using pressurized solvent extraction, a cleanup step using solid-phase extraction, and the instrumental analysis by GC-HRMS. Different extraction temperatures (between 50 and 200 °C) and Florisil quantities were evaluated for the extraction process. Based on the evaluation of both recoveries and matrix effect factors, a temperature of 200 °C and 1 g Florisil was selected as the optimum...
October 25, 2016: Analytical and Bioanalytical Chemistry
https://www.readbyqxmd.com/read/27776637/untargeted-screening-of-unknown-xenobiotics-and-potential-toxins-in-plasma-of-poisoned-patients-using-high-resolution-mass-spectrometry-generation-of-xenobiotic-fingerprint-using-background-subtraction
#18
Chang Chen, Ariane Wohlfarth, Hui Xu, Dan Su, Xin Wang, Hongliang Jiang, Yulin Feng, Mingshe Zhu
A novel analytical workflow was developed and applied for the detection and identification of unknown xenobiotics in biological samples. High-resolution mass spectrometry (HRMS)-based data-independent MS(E) acquisition was employed to record full scan MS and fragment spectral datasets of test and control samples. Then, an untargeted data-mining technique, background subtraction, was utilized to find xenobiotics present only in test samples. Structural elucidation of the detected xenobiotics was accomplished by database search, spectral interpretation, and/or comparison with reference standards...
November 9, 2016: Analytica Chimica Acta
https://www.readbyqxmd.com/read/27761595/biosensors-and-their-applications-in-detection-of-organophosphorus-pesticides-in-the-environment
#19
Shokoufeh Hassani, Saeideh Momtaz, Faezeh Vakhshiteh, Armin Salek Maghsoudi, Mohammad Reza Ganjali, Parviz Norouzi, Mohammad Abdollahi
This review discusses the past and recent advancements of biosensors focusing on detection of organophosphorus pesticides (OPs) due to their exceptional use during the last decades. Apart from agricultural benefits, OPs also impose adverse toxicological effects on animal and human population. Conventional approaches such as chromatographic techniques used for pesticide detection are associated with several limitations. A biosensor technology is unique due to the detection sensitivity, selectivity, remarkable performance capabilities, simplicity and on-site operation, fabrication and incorporation with nanomaterials...
October 19, 2016: Archives of Toxicology
https://www.readbyqxmd.com/read/27757476/coupling-of-in-vitro-bioassays-with-planar-chromatography-in-effect-directed-analysis
#20
Stefan C Weiss, Nicole Egetenmeyer, Wolfgang Schulz
Modern analytical test methods increasingly detect anthropogenic organic substances and their transformation products in water samples and in the environment. The presence of these compounds might pose a risk to the aquatic environment. To determine a possible (eco)toxicological risk, aquatic samples are tested using various bioassays, including sub-organismic assays such as the luminescent bacteria inhibition test, the acetylcholinesterase inhibition test, and the umu-test. The effect-directed analysis (EDA) combines physicochemical separation methods with biological (in vitro) tests...
October 19, 2016: Advances in Biochemical Engineering/biotechnology
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