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https://www.readbyqxmd.com/read/29331119/molecular-dynamics-investigation-of-water-exchange-reactions-on-lanthanide-ions-in-water-1-ethyl-3-methylimidazolium-trifluoromethylsufate-emim-otf
#1
Yi-Jung Tu, Zhijin Lin, Matthew J Allen, G Andrés Cisneros
We report a kinetic study of the water exchange on lanthanide ions in water/[1-ethyl-3-methylimidazolium][trifluoromethylsufate] (water/[EMIm][OTf]). The results from 17O-NMR measurements show that the water-exchange rates in water/[EMIm][OTf] increase with decreasing size of the lanthanide ions. This trend for water-exchange is similar to the previously reported trend in water/1-ethyl-3-methylimidazolium ethyl sulfate (water/[EMIm][EtSO4]) but opposite to that in water. To gain atomic-level insight into these water-exchange reactions, molecular dynamics simulations for lanthanide ions in water/[EMIm][OTf] have been performed using the atomic-multipole-optimized-energetics-for-biomolecular-application polarizable force field...
January 14, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29304397/evaluation-of-a-novel-method-for-the-analysis-of-alcohol-biomarkers-ethyl-glucuronide-ethyl-sulfate-and-phosphatidylethanol
#2
Van Long Nguyen, Phillip Paull, Paul S Haber, Kate Chitty, Devanshi Seth
Currently available markers and methods to evaluate alcohol consumption are indirect and suboptimal, or rely on self-report, which have inherent problems. Direct metabolites of alcohol, phosphatidylethanol (PEth), ethyl sulfate (EtS), and ethyl glucuronide (EtG), are known to improve diagnostic accuracy. In this study, methods were established for the identification of PEth in erythrocytes and EtG and EtS in serum using ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS). The three biomarkers were tested and validated in volunteer teetotalers (n = 4) and drinkers (n = 10), and applied in patients (n = 8) hospitalized with alcohol-related problems...
August 31, 2017: Alcohol
https://www.readbyqxmd.com/read/29200128/tro40303-ameliorates-alcohol-induced-pancreatitis-through-reduction-of-fatty-acid-ethyl-ester-induced-mitochondrial-injury-and-necrotic-cell-death
#3
Muhammad Ahsan Javed, Li Wen, Muhammad Awais, Diane Latawiec, Wei Huang, Michael Chvanov, Sophie Schaller, Thierry Bordet, Magali Michaud, Rebecca Pruss, Alexei Tepikin, David Criddle, Robert Sutton
OBJECTIVES: Mitochondrial permeability transition pore inhibition is a promising approach to treat acute pancreatitis (AP). We sought to determine (i) the effects of the mitochondrial permeability transition pore inhibitor 3,5-seco-4-nor-cholestan-5-one oxime-3-ol (TRO40303) on murine and human pancreatic acinar cell (PAC) injury induced by fatty acid ethyl esters (FAEEs) or taurolithocholic acid-3-sulfate and (ii) TRO40303 pharmacokinetics and efficacy in experimental alcoholic AP (FAEE-AP)...
December 2, 2017: Pancreas
https://www.readbyqxmd.com/read/29199562/immunomodulatory-effects-of-extracellular-%C3%AE-glucan-isolated-from-the-king-oyster-mushroom-pleurotus-eryngii-agaricomycetes-and-its-sulfated-form-on-signaling-molecules-involved-in-innate-immunity
#4
Yong Hyun Kim, Eui-Gil Jung, Kook-Il Han, Bharat Bhusan Patnaik, Hyun-Jung Kwon, Hyoun-Su Lee, Wan Jong Kim, Man-Deuk Han
The aim of this study was to determine, using murine RAW 264.7 macrophages, the immunomodulatory effect of extracellular β-glucan isolated from Pleurotus eryngii (PEBG) and its sulfated derivative (PEBG-S) on signaling molecules implicated in host innate immunity. β-Glucan was extracted and purified from the mycelial culture using optimal medium concentrations. It was then chemically converted to its sulfated form. Monosaccharide composition of β-glucan was characterized with p-aminobenzoic acid ethyl ester-derivatized sugars through highperformance liquid chromatography analysis...
2017: International Journal of Medicinal Mushrooms
https://www.readbyqxmd.com/read/29089857/extraction-of-proanthocyanidins-and-anthocyanins-from-grape-skin-by-using-ionic-liquids
#5
Natka Ćurko, Marina Tomašević, Marina Cvjetko Bubalo, Leo Gracin, Ivana Radojčić Redovniković, Karin Kovačević Ganić
In this study, eight different types of imidazolium-based ionic liquids (ILs) were applied as new solvents in the extraction of flavonoids from grape skin, and compared to the conventional organic solvent extraction that was not reported earlier. The structure of anions, cations and concentration of ILs significantly affected extraction yields. The highest mass fractions of proanthocyanidins and anthocyanins were obtained with 2.5 mol/L of 1-butyl-3-methylimidazolium bromide [C4mim][Br] and 2.5 mol/L of 1-ethyl-3-methylimidazolium bromide [C2mim][Br], respectively...
September 2017: Food Technology and Biotechnology
https://www.readbyqxmd.com/read/28982313/biomarkers-of-alcohol-consumption-in-body-fluids-possibilities-and-limitations-of-application-in-toxicological-analysis
#6
Mateusz K Woźniak, Marek Wiergowski, Jacek Namieśnik, Marek Biziuk
Ethyl alcohol is the most popular legal drug, but its excessive consumption causes social problems. Despite many public campaigns against alcohol use, car accidents, instances of aggressive behaviour, sexual assaults and deterioration in labor productivity caused by inebriated people is still commonplace. Fast and easy diagnosis of alcohol consumption is required in order to introduce proper and effective therapy, and is crucial in forensic toxicology analysis. The easiest method to prove alcohol intake is determination of ethanol in body fluids or in breath...
October 5, 2017: Current Medicinal Chemistry
https://www.readbyqxmd.com/read/28937695/trinuclear-complexes-of-palladium-ii-with-chalcogenated-n-heterocyclic-carbenes-catalysis-of-selective-nitrile-primary-amide-interconversion-and-sonogashira-coupling
#7
Pooja Dubey, Sonu Gupta, Ajai K Singh
3-Methyl-1-(2-(phenylthio/seleno)ethyl)-1H-benzo[d]imidazol-3-ium iodide (L1/L2), a precursor of sulfated/selenated N-heterocyclic carbene, was synthesized by the reaction of benzimidazole with 1,2-dichloroethane followed by treatment with PhS/SeNa and MeI. The reaction of L1/L2 with Ag2O followed by treatment with [Pd(CH3CN)2Cl2] (metal to ligand ratio 3 : 2), i.e. transmetallation, resulted in trinuclear palladium(ii) complexes [Pd3(L1/L2-HI)2(CH3CN)Cl6] (1-2). The complexes were characterized with (1)H, (13)C{(1)H} and (77)Se{(1)H} NMR (2 only), elemental analyses, HR-MS and single-crystal X-ray diffraction...
September 22, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28930329/impact-of-scill-catalysts-for-the-s-s-coupling-of-thiols-to-disulfides
#8
Octavian D Pavel, Iunia Podolean, Vasile I Parvulescu, S F Rebecca Taylor, Haresh G Manyar, Kathryn Ralphs, Peter Goodrich, Christopher Hardacre
This study reports the behaviour of SCILL based catalysts in the oxidative S-S coupling of aliphatic and aromatic thiols, namely 1-butanethiol and thiophenol, to dibutyl disulfide and diphenyl disulfide. A range of ionic liquids (1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide) and metal supported catalysts (5% Pt/SiO2; 5% Ru/SiO2; 5% Ru/C; 5% Pt/OMS-2) were used to prepare the SCILL catalysts and all were found to be active for the reaction following the trend 5% Pt-OMS-2 > 5% Pt/SiO2 > 5% Ru/C > 5% Ru/SiO2...
September 20, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28917670/morphological-characterization-and-biocontrol-effects-of-vibrio-vulnificus-phages-against-vibriosis-in-the-shrimp-aquaculture-environment
#9
Pappu Srinivasan, Palaniappan Ramasamy
The re-emerging field of phage therapy is the potential biocontrol agents for the transfer of virulence factor and to kill their bacterial hosts. In this study, the lytic Vibrio vulnificus phages were studied to provide a better understanding of phage-host interactions and development of phage therapy. Four new V. vulnificus phages were detected from shrimp aquaculture system, named VV1, VV2, VV3 and VV4. All lytic V. vulnificus phages are the Tectiviruses of the family Tectiviridae with typical double layered elongated icosahedral head and tailless morphology...
October 2017: Microbial Pathogenesis
https://www.readbyqxmd.com/read/28855472/analytical-method-for-nitroimidazoles-and-their-major-metabolites-in-livestock-and-fishery-products-using-lc-ms-ms
#10
Takatoshi Sakai, Satoru Nemoto, Reiko Teshima, Hiroshi Akiyama
A sensitive and reliable method for the simultaneous determination of four nitroimidazoles (ipronidazole (IPZ), dimetridazole (DMZ), metronidazole (MNZ) and ronidazole (RNZ)) and three metabolites (IPZ-OH, MNZ-OH and 2-hydroxymethyl-1-methyl-5-nitroimidazole (HMMNI)) in livestock and fishery products was developed. The analytes were extracted from samples with acetone containing acetic acid. The crude extracts were defatted by liquid-liquid partition using acetonitrile and n-hexane followed by solid-phase extraction using a cartridge column packed with divinylbenzene-N-vinylpyrolidone copolymer bearing sulfo groups...
2017: Shokuhin Eiseigaku Zasshi. Journal of the Food Hygienic Society of Japan
https://www.readbyqxmd.com/read/28852244/value-of-ethyl-glucuronide-and-ethyl-sulfate-in-serum-as-biomarkers-of-alcohol-consumption
#11
Lekhansh Shukla, Priyamvada Sharma, Suhas Ganesha, Deepak Ghadigaonkar, Evan Thomas, Arun Kandasamy, Pratima Murthy, Vivek Benegal
BACKGROUND: Urinary Ethyl glucuronide (EtG) and Ethyl sulfate (EtS) are established markers of alcohol conumption. Measurement of these markers in serum offers certain advantages. This outpatient department based study evaluated performance of serum Ethyl glucuronide (EtG) and Ethyl sulphate (EtS) as biomarkers of recent alcohol consumption in alcohol dependent subjects. It also evaluated effect of alcohol dose and time since consumption on serum EtG and EtS concentration. METHODS: Information regarding alcohol intake was collected using Time line follow back calendar method from 152 subjects...
July 2017: Indian Journal of Psychological Medicine
https://www.readbyqxmd.com/read/28821307/determination-of-residues-of-diazinon-and-chlorpyrifos-in-lavender-and-rosemary-leaves-by-gas-chromatography
#12
Mamdouh R Rezk, Abd El-Aziz B Abd El-Aleem, Shaban M Khalile, Omneya K El-Naggar
A sensitive gas chromatographic (GC) GC method has been developed for the determination of diazinon and chlorpyrifos residues in lavender and rosemary leaves. The developed method consists of blending weighed samples of chopped leaves with sodium sulfate as the dehydrating agent, extraction with ethyl acetate, filtration, evaporation with a rotary evaporator, and, finally, capillary GC determination of the pesticides. The recoveries of the method were greater than 90%, and the LOQ was less than 0.1 µg/mL...
August 18, 2017: Journal of AOAC International
https://www.readbyqxmd.com/read/28767237/heterogeneous-organophosphate-ethanolysis-degradation-of-phosphonothioate-neurotoxin-by-a-supported-molybdenum-peroxo-polymer
#13
Louis Y Kuo, Andrew Bennett, Qianli Miao
A polystyrene-supported molybdenum peroxo material [Mo-Y(s)] was applied toward the oxidative degradation of the organophosphate neurotoxin O,S-diethylphenyl phosphonothioate (1) through ethanolysis. In addition to the operational advantages of the heterogeneous reactivity, oxidative ethanolysis with a 10-fold excess of hydrogen peroxide yields only P-S bond scission to produce diethylphenyl phosphonate and ethyl sulfate. This is the first report of a molybdenum solid support that promotes the degradation of sulfur-containing organophosphate with the turnover benefits of heterogeneous catalysis...
August 2, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28762331/quantitative-determination-of-synthesized-genotoxic-impurities-in-nifuroxazide-capsules-by-validated-chromatographic-methods
#14
Nada S Abdelwahab, Nouruddin W Ali, Marco M Zaki, M Abdelkawy, Mohammed T El-Saadi
Two accurate, selective, and precise chromatographic methods, namely TLC-densitometric and reversed-phase (RP)-HPLC, were developed and validated for the simultaneous determination of nifuroxazide (NIF) and its four synthesized impurities, which are also reported to be its related substances in the range of 10–100 μg/band and 10–100 μg/mL for NIF in the TLC and RP-HPLC methods, respectively. The developed TLC-densitometric method depended on the separation and quantitation of the studied components on silica gel 60 F254 TLC plates...
July 31, 2017: Journal of AOAC International
https://www.readbyqxmd.com/read/28762065/lc-high-resolution-ms-ms-for-identification-of-69-metabolites-of-the-new-psychoactive-substance-1-4-ethylphenyl-n-2-methoxyphenyl-methyl-propane-2-amine-4-ea-nbome-in-rat-urine-and-human-liver-s9-incubates-and-comparison-of-its-screening-power-with-further
#15
Achim T Caspar, Folker Westphal, Markus R Meyer, Hans H Maurer
4-EA-NBOMe (N-(2-methoxybenzyl)-4-ethylamphetamine, 1-(4-ethylphenyl-)-N-[(2-methoxyphenyl)methyl]propane-2-amine) is an amphetamine-derived new psychoactive substance (NPS) of the N-methoxybenzyl (NBOMe) group first seized by German custom authorities. In contrast to the phenethylamine NBOMes, studies on the pharmacological, toxicological, or metabolic properties are not yet published. The aims of the presented work were the use of LC-HR-MS/MS for identification of the phase I and II metabolites of 4-EA-NBOMe in rat urine and pooled human S9 fraction (pS9) incubations, to compare metabolite formation in both models, to identify involved monooxygenases, and to elucidate its detectability in standard urine screening approaches (SUSAs) using GC-MS, LC-MS(n), and LC-HR-MS/MS...
July 31, 2017: Analytical and Bioanalytical Chemistry
https://www.readbyqxmd.com/read/28741862/in-vivo-comparison-of-jellyfish-and-bovine-collagen-sponges-as-prototype-medical-devices
#16
Jonathan P Widdowson, Alex J Picton, Valerie Vince, Chris J Wright, Andrew Mearns-Spragg
Jellyfish have emerged as a source of next generation collagen that is an attractive alternative to existing sources, such as bovine and porcine, due to a plentiful supply and providing a safer source through lack of bovine spongiform encephalopathy (BSE) transmission risk and potential viral vectors, both of which could be transmitted to humans. Here we compare collagen implantable sponges derived for the first time from the Rhizostoma pulmo jellyfish. A further novelty for the research was that there was a comparison for sponges that were either uncrosslinked or crosslinked using 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride (EDC), and an assessment on how this affected resorption, as well as their biocompatibility compared to bovine type I collagen sponges...
July 25, 2017: Journal of Biomedical Materials Research. Part B, Applied Biomaterials
https://www.readbyqxmd.com/read/28728424/annals-express-false-negative-results-in-the-immunoassay-analysis-of-drugs-of-abuse-can-adulterants-be-detected-by-sample-check-test
#17
Barbara Matriciani, Bernd Huppertz, Ruprecht Keller, Ralf Weiskirchen
BACKGROUND: The dilution or adulteration of urine is a serious problem in drugs of abuse (DOA) testing. Tests to identify adulteration are currently available. This study investigated the ability of the CEDIA® sample check to detect adulteration. METHODS: Eight different DOAs were added to a urine sample obtained from a healthy, drug free subject: 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine, 3,4-methylenedioxyamphetamine, benzoylecgonine, D-amphetaminesulfate, ethyl-D-glucuronide, morphine sulfate, oxazepam, (-)-11-nor-9-carboxy-∆(9)-tetrahydrocannabinol...
January 1, 2017: Annals of Clinical Biochemistry
https://www.readbyqxmd.com/read/28699536/supramolecular-self-assembled-nanogels-a-new-platform-for-anticancer-drug-delivery
#18
Jaleh Varshosaz, Somayeh Taymouri, Erfaneh Ghassami
Polymer micellar nanogels are a group of core-shell polymeric micelles with swelling properties in aqueous media. Nanogel systems have proven their potential in controlled, sustained and targetable drug delivery area with no immunological responses. This review includes a comprehensive wide range of self-assembly of polymeric nanogels as delivery systems for anticancer drugs. Nanogels are nanoparticulate drug delivery systems which are specially designed for enhanced target oriented and cellular uptake of drugs with emphasis on chemotherapeutic agents studied in this review...
July 10, 2017: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/28692891/degradation-studies-of-quizalofop-p-and-related-compounds-in-soils-using-liquid-chromatography-coupled-to-low-and-high-resolution-mass-analyzers
#19
Rosalía López-Ruiz, Roberto Romero-González, José Luis Martínez Vidal, Manuel Fernández-Pérez, Antonia Garrido Frenich
A comprehensive degradation study of quizalofop-p, quizalofop-p-ethyl, quizalofop-p-tefuryl and propaquizafop in soil samples have been firstly performed using ultra high performance liquid chromatography coupled to Orbitrap mass spectrometry (UHPLC-Orbitrap-MS). Thus, metabolites or degradation products, such as CHHQ (dihydroxychloroquinoxalin), CHQ (6-chloroquinoxalin-2-ol), PPA ((R)-2-(4-hydroxyphenoxy)propionic acid) and 2,3-dihydroxyquinoxaline were also monitored. An extraction procedure based on QuEChERS procedure was used...
December 31, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28688172/potential-impact-of-the-sewer-system-on-the-applicability-of-alcohol-and-tobacco-biomarkers-in-wastewater-based-epidemiology
#20
Andrew P W Banks, Foon Yin Lai, Jochen F Mueller, Guangming Jiang, Steve Carter, Phong K Thai
Understanding the actual consumption of alcohol and tobacco in the population is important for forming public health policy. For this purpose, wastewater-based epidemiology has been applied as a complementary method to estimate the overall alcohol and tobacco consumption in different communities. However, the stability of their consumption biomarkers, ethyl sulfate, ethyl glucuronide, cotinine and trans-3'-hydroxycotinine, in the sewer system has not yet been assessed. This study aimed to conduct such assessment using sewer reactors mimicking conditions of rising main, gravity sewer and wastewater alone, over a 12-hour period...
July 8, 2017: Drug Testing and Analysis
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