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https://www.readbyqxmd.com/read/29793200/influence-of-auxochrome-group-in-disperse-dyes-bearing-azo-groups-as-chromophore-center-in-the-biotransformation-and-molecular-docking-prediction-by-reductase-enzyme-implications-and-assessment-for-environmental-toxicity-of-xenobiotics
#1
Jefferson Honorio Franco, Bianca F da Silva, Elisangela Franciscon G Dias, Alexandre A de Castro, Teodorico C Ramalho, Maria Valnice Boldrin Zanoni
Synthetic azo dyes have increasingly become a matter of great concern as a result of the genotoxic and mutagenic potential of the products derived from azo dye biotransformation. This work evaluates the manner in which reducing enzymes produced by Escherichia coli (E. coli) act on three disperse dyes bearing azo groups, namely Disperse Red 73 (DR 73), Disperse Red 78 (DR 78), and Disperse Red 167 (DR 167). UV-Vis spectrophotometry, high-performance liquid chromatography with diode array detector (HPLC-DAD), and liquid chromatography mass spectrometry (LC-MS/MS) were applied towards the identification of the main products...
May 21, 2018: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/29793195/alcohol-and-drugs-use-among-drivers-injured-in-road-accidents-in-campania-italy-a-8-years-retrospective-analysis
#2
Anna Carfora, Carlo Pietro Campobasso, Paola Cassandro, Raffaella Petrella, Renata Borriello
A recent update of the Italian Road Traffic Law (RTL 41/2016), established severe penal sanctions when drivers, driving under the influence of alcohol (DUI) or drugs (DUID), are involved in road accident that results in death or injuries. A study was carried out to assess the trends of consumption of alcohol, illicit drugs or pharmaceutical among injured drivers suspected for DUI or DUID from 2009 to 2016 in the region of Campania (Italy). Confirmation toxicological analyses were performed on 780 blood samples and 1017 urine samples collected from 1797 injured drivers...
May 9, 2018: Forensic Science International
https://www.readbyqxmd.com/read/29793194/simultaneous-determination-of-18-psychoactive-agents-and-6-metabolites-in-plasma-using-lc-ms-ms-and-application-to-actual-plasma-samples-from-conscription-candidates
#3
Dongeun Park, Hyeyoung Choi, Moonhee Jang, Hyejin Chang, Sanghee Woo, Wonkyung Yang
In Korea, an increasing number of people attempt to evade military conscription by posing as mental health patients. To verify the authenticity of mental illness, there is a need to detect wide range of psychoactive agents in biological specimens of conscription candidates. In this study, we developed and validated a liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for simultaneous determination of 18 psychoactive agents and 6 metabolites in human plasma. The method was characterized by the use of a simple, fast and cheap protein precipitation as sample preparation, a rapid run time (11min) and a low volume of plasma sample (200μL)...
April 22, 2018: Forensic Science International
https://www.readbyqxmd.com/read/29792921/characterization-of-solution-stress-degradation-products-of-aliskiren-and-prediction-of-their-physicochemical-and-admet-properties
#4
Bhoopendra Singh Kushwah, Jugal Gupta, Dilip Kumar Singh, Moolchand Kurmi, Archana Sahu, Saranjit Singh
Forced degradation studies on aliskiren were carried out according to ICH and WHO guidelines. Six degradation products were formed in total in the solution state. Their separation among themselves and from the drug was successfully achieved on a C-18 column utilizing acetonitrile and phosphate buffer (pH 3.0) in the mobile phase, which was run in a gradient mode. To characterize them, a complete mass fragmentation pathway of the drug was first established with the help of MS/TOF and MSn data. This was followed by LC-MS/TOF studies on the degradation products...
May 21, 2018: European Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/29792685/vertical-ultrafiltration-facilitated-dna-digestion-for-rapid-and-sensitive-uhplc-ms-ms-detection-of-dna-modifications
#5
Weiyi Lai, Cong Lyu, Hailin Wang
LC-MS/MS technologies provide important and powerful analytical tools for chemical structure-dependent identification and quantification of epigenetically crucial DNA modifications. To perform LC-MS/MS analysis, it is better to convert DNA to 2'-deoxynucleosides through enzymatic digestion. Here, we observed that inorganic cations Na+ and K+ and phosphate buffers, which were often found in various DNA solutions, significantly inhibited DNA digestion as catalyzed by typical set of DNase I, snake venom phosphodiesterase, and calf intestine alkaline phosphatase, leading to poor or varying performance on UHPLC-MS/MS analysis...
May 24, 2018: Analytical Chemistry
https://www.readbyqxmd.com/read/29792680/quantification-of-cellular-folate-species-by-lc-ms-after-stabilization-by-derivatization
#6
Matthias Schittmayer, Ruth Birner-Gruenberger, Nicola Zamboni
Folate cofactors play a key role in one-carbon metabolism. Analysis of individual folate species is hampered by the low chemical stability and high inter-convertibility of folates which can lead to severe experimental bias. Here we present a complete workflow that employs simultaneous extraction and stabilization of folates by derivatization. We perform reductive methylation employing stable isotope labelled reagents to retain information on position and redox state of one carbon units as well as the redox state of the pteridine ring...
May 24, 2018: Analytical Chemistry
https://www.readbyqxmd.com/read/29792678/combinatorially-screened-peptide-as-targeted-covalent-binder-alteration-of-bait-conjugated-peptide-to-reactive-modifier
#7
Shuta Uematsu, Yudai Tabuchi, Yuji Ito, Masumi Taki
A peptide-type covalent binder for a target protein was obtained by combinatorial screening of fluoroprobe-conjugated peptide libraries on bacteriophage T7. The solvatochromic fluoroprobe works as a bait during the affinity selection process of phage display. To obtain the targeted covalent binder, the bait in the selected consensus peptide was altered into a reactive warhead possessing a sulfonyl fluoride. The reaction efficiency and site / position specificity of the covalent conjugation between the binder and the target protein were evaluated by liquid chromatography-tandem mass spectrometry (LC-MS/MS), and rationalized by a protein-ligand docking simulation...
May 24, 2018: Bioconjugate Chemistry
https://www.readbyqxmd.com/read/29792548/comparison-of-the-ocular-penetration-and-pharmacokinetics-between-natamycin-and-voriconazole-after-topical-instillation-in-rabbits
#8
Xin Zhao, Yang Tong, Xiaotong Wang, Xian Zhang, Shichao Chen, Hong Lu
PURPOSE: To investigate the ocular penetration of natamycin (NAT) and voriconazole (VRC) after topical instillation in New Zealand white rabbits using simplified liquid chromatography-tandem mass spectrometry (LC-MS/MS) and high-performance liquid chromatography. METHODS: Seventy-eight healthy rabbits were randomly divided into 3 groups. In the first 2 groups, 72 rabbits were used for single-dose testing (36 for NAT, 36 for VRC), in which 50 μL of 5.0% NAT or 1...
May 24, 2018: Journal of Ocular Pharmacology and Therapeutics
https://www.readbyqxmd.com/read/29792329/residual-complexity-does-impact-organic-chemistry-and-drug-discovery-the-case-of-rufomyazine-and-rufomycin
#9
Mary P Choules, Larry L Klein, David C Lankin, James B McAlpine, Sang-Hyun Cho, Jinhua Cheng, Hanki Lee, Joo-Won Suh, Birgit U Jaki, Scott G Franzblau, Guido F Pauli
Residual complexity (RC) involves the impact of subtle but critical structural and biological features on drug lead validation, including unexplained effects related to unidentified impurities. RC commonly plagues drug discovery efforts due to the inherent imperfections of chromatographic separation methods. The new diketopiperazine, rufomyazine (6), and the previously known antibiotic, rufomycin (7), represent a prototypical case of RC that (almost) resulted in the misassignment of biological activity. The case exemplifies that impurities well below the natural abundance of 13 C (1...
May 24, 2018: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/29792192/detection-technologies-and-metabolic-profiling-of-bile-acids-a-comprehensive-review
#10
REVIEW
Yanan Liu, Zhihui Rong, Dong Xiang, Chengliang Zhang, Dong Liu
Bile acids (BAs) are important regulatory factors of life activities, which are involved in the regulation of glucose, lipid and energy metabolisms, and closely associated with intestinal hormones, microbiotas and energy balance. BAs abnormalities easily lead to inflammation and metabolic diseases, in turn, the progress of diseases could influence characteristics of BAs. Therefore, accurate detection of BAs contents is of great significance to disease prevention, diagnosis and treatment. At present, the most widely used enzymatic method in clinical practice is applicable to the detection of total bile acid (TBA)...
May 23, 2018: Lipids in Health and Disease
https://www.readbyqxmd.com/read/29792094/regulatory-context-and-validation-of-assays-for-clinical-mass-spectrometry-proteomics-cmsp-methods
#11
Christophe Hirtz, Pauline Bros, Cato Brede, Pierre Lescuyer, Aleksandra M Maceski, Jerome Vialaret, Vincent Delatour, Sylvain Lehmann
Clinical mass spectrometry proteomics (cMSP) assays are being increasingly used in clinical laboratories for analyzing peptides and proteins. It has therefore become urgent to characterize and validate the methods available for liquid chromatography-tandem mass spectrometry (LC/MS-MS) targeted quantification of peptide and protein biomarkers in biological fluids in the context of in vitro diagnostics. LC-MS/MS for the detection of peptides and proteins is currently the main approach used in the field of cMSP...
May 23, 2018: Critical Reviews in Clinical Laboratory Sciences
https://www.readbyqxmd.com/read/29792048/annals-express-a-novel-high-throughput-assay-for-the-measurement-of-salivary-progesterone-by-liquid-chromatography-tandem-mass-spectrometry
#12
Lina Schiffer, Joanne Elaine Adaway, Elizabeth S Baranowski, Wiebke Arlt, Brian G Keevil
BACKGROUND: Liquid chromatography tandem mass spectrometry (LC-MS/MS) enables specific and sensitive quantification of steroids with a high-throughput. Saliva sampling is advantageous for multi-sample profiling over longer periods of time as it is non-invasive, cheap, can be carried out at home and does not require the attendance of clinical personnel. We developed a rapid LC-MS/MS for the measurement of salivary progesterone, frequently assessed as ovulation marker in patients desiring fertility...
January 1, 2018: Annals of Clinical Biochemistry
https://www.readbyqxmd.com/read/29792047/annals-express-phenotyping-and-relative-quantification-of-vitamin-d-binding-protein-in-a-pediatric-population-by-liquid-chromatography-tandem-mass-spectrometry
#13
Ana Isabel Cillero, Eduardo Martínez-Morillo, Laura Mantecón, Mª Agustina Alonso, Helena Gil-Peña, Fernando Santos, Francisco V Alvarez
BACKGROUND: Adequate levels of vitamin D are required to ensure bone health and minimize the incidence of multiple extraskeletal diseases. Although total 25-hydroxyvitamin D (25OHD) remains the recommended biomarker for assessing vitamin D status, it has been speculated that free 25OHD correlates better with clinical outcomes. The calculation of free 25OHD depends on the levels of vitamin D binding protein (DBP), the determination of which involves different immunoassays and has led to varying results and conclusions...
January 1, 2018: Annals of Clinical Biochemistry
https://www.readbyqxmd.com/read/29790936/simextargid-a-comprehensive-package-for-real-time-lc-ms-data-acquisition-and-analysis
#14
William M B Edmands, Josie Hayes, Stephen M Rappaport
Summary: Liquid chromatography mass spectrometry (LC-MS) is the favored method for untargeted metabolomic analysis of small molecules in biofluids. Here we present SimExTargId, an open-source R package for autonomous analysis of metabolomic data and real-time observation of experimental runs. This simultaneous, fully automated and multi-threaded (optional) package is a wrapper for vendor-independent format conversion (ProteoWizard), xcms- and CAMERA- based peak-picking, MetMSLine-based pre-processing and covariate-based statistical analysis...
May 22, 2018: Bioinformatics
https://www.readbyqxmd.com/read/29790907/application-of-network-smoothing-to-glycan-lc-ms-profiling
#15
Joshua Klein, Luis Carvalho, Joseph Zaia
Motivation: Glycosylation is one of the most heterogeneous and complex protein post-translational modifications. Liquid chromatography coupled mass spectrometry (LC-MS) is a common high throughput method for analyzing complex biological samples. Accurate study of glycans require high resolution mass spectrometry. Mass spectrometry data contains intricate sub-structures that encode mass and abundance, requiring several transformations before it can be used to identify biological molecules, requiring automated tools to analyze samples in a high throughput setting...
May 22, 2018: Bioinformatics
https://www.readbyqxmd.com/read/29790819/effects-of-astragaloside-iv-on-the-pharmacokinetics-of-puerarin-in-rats
#16
Lu Liu, Pihong Li, Lujun Qiao, Xiaohua Li
1. Radix astragali and puerarin are always used together for cardiovascular disease in China clinics. 2. This study investigates the effects of astragaloside IV (AS-IV, the main components of radix astragali) on the pharmacokinetics of puerarin in rats. 3. The pharmacokinetics of orally administered puerarin (50 mg/kg) with or without AS-IV pretreatment (100 mg/kg/day for 7 days) were investigated. The plasma concentration of puerarin was determined using LC-MS/MS method, and the pharmacokinetics profiles were calculated and compared...
May 23, 2018: Xenobiotica; the Fate of Foreign Compounds in Biological Systems
https://www.readbyqxmd.com/read/29790809/characterization-of-in-vitro-and-in-vivo-metabolism-of-leelamine-using-liquid-chromatography-tandem-mass-spectrometry
#17
Riya Shrestha, Jung Jae Jo, DooHyun Lee, Taeho Lee, Sangkyu Lee
1. Leelamine is a diterpene compound found in the bark of pine trees and has garnered considerable interest owing to its potent anticancer properties. The aim of the present study was to investigate the metabolic profile of leelamine in human liver microsomes (HLMs) and mice using liquid chromatography-tandem mass spectrometry (LC-MS/MS). 2. We found that leelamine undergoes only Phase I metabolism, which generates one metabolite that is mono-hydroxylated at the C9 carbon of the octahydrophenanthrene ring (M1) both in vitro and in vivo...
May 23, 2018: Xenobiotica; the Fate of Foreign Compounds in Biological Systems
https://www.readbyqxmd.com/read/29790754/epiprofile-2-0-a-computational-platform-for-processing-epi-proteomics-mass-spectrometry-data
#18
Zuo-Fei Yuan, Simone Sidoli, Dylan M Marchione, Johayra Simithy, Kevin A Janssen, Mary R Szurgot, Benjamin A Garcia
Epigenetics has become a fundamental scientific discipline with various implications for biology and medicine. Epigenetic marks, mostly DNA methylation and histone post-translational modifications (PTMs), play important roles in chromatin structure and function. Accurate quantification of these marks is an ongoing challenge due to the variety of modifications and their wide dynamic range of abundance. Here, we present EpiProfile 2.0, an extended version of our 2015 software (v1.0) for accurate quantification of histone peptides based on liquid chromatography - tandem mass spectrometry (LC-MS/MS) analysis...
May 23, 2018: Journal of Proteome Research
https://www.readbyqxmd.com/read/29790688/loganic-acid-and-anthocyanins-from-cornelian-cherry-cornus-mas-l-fruits-modulate-diet-induced-atherosclerosis-and-redox-status-in-rabbits
#19
Tomasz Sozański, Alicja Z Kucharska, Stanisław Dzimira, Jan Magdalan, Dorota Szumny, Agnieszka Matuszewska, Beata Nowak, Narcyz Piórecki, Adam Szeląg, Małgorzata Trocha
BACKGROUND: Cornelian cherry (Cornus mas L.) is a plant growing in southeast Europe, in the past used in folk medicine. There are many previous publications showing the preventive effects of (poly)phenolic compounds, especially anthocyanins, on cardiovascular diseases, but there is a lack of studies comparing the effects of (poly)phenolics and other constituents of fruits. OBJECTIVES: We have attempted to determine if iridoids and anthocyanins from cornelian cherry fruits may affect the formation of atherosclerotic plaques in the aorta as well as lipid peroxidation and oxidative stress in the livers of cholesterol-fed rabbits...
April 25, 2018: Advances in Clinical and Experimental Medicine: Official Organ Wroclaw Medical University
https://www.readbyqxmd.com/read/29790685/f2-isoprostanes-and-f4-neuroprostanes-as-markers-of-intracranial-aneurysm-development
#20
Anna Syta-Krzyżanowska, Iwona Jarocka-Karpowicz, Jan Kochanowicz, Grzegorz Turek, Robert Rutkowski, Krzysztof Gorbacz, Zenon Mariak, Elżbieta Skrzydlewska
BACKGROUND: Intracranial aneurysms are common, occurring in about 1-2% of the population. Saccular aneurysm is a pouch-like pathological dilatation of an intracranial artery that develops when the cerebral artery wall becomes too weak to resist hemodynamic pressure and distends. OBJECTIVES: The aim of this study was to determine whether the development of intracranial aneurysms and subarachnoid hemorrhage (SAH) affects neuronal phospholipid metabolism, and what influence different invasive treatments have on brain free radical phospholipid metabolism...
April 24, 2018: Advances in Clinical and Experimental Medicine: Official Organ Wroclaw Medical University
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