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https://www.readbyqxmd.com/read/28340480/using-uhplc-q-trap-ms-as-a-complementary-technique-to-in-depth-mine-uplc-q-tof-ms-data-for-identifying-modified-nucleosides-in-urine
#1
Zhiwei Lu, Qing Wang, Meiling Wang, Shuang Fu, Qingqing Zhang, Zhixin Zhang, Huizhen Zhao, Yuehong Liu, Zhenhai Huang, Ziye Xie, Honghong Yu, Xiaoyan Gao
Modified nucleosides, metabolites of RNA, are potential biomarkers of cancer before the appearance of morphological abnormalities. It is of great significance to comprehensively detect and identify nucleosides in human urine for discovery of cancer biomarkers. However, the lower abundance, the greater polarity and the matrix effects make it difficult to detect urinary nucleosides. In this paper, an integrated method consisted of sample preparation followed by ultraperformance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC Q-TOF/MS) detection and primary identification, then ultra-high performance liquid chromatography coupled with hybrid triple quadrupole linear ion trap mass spectrometer (UHPLC Q-Trap/MS) further identification and validation were introduced...
March 12, 2017: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
https://www.readbyqxmd.com/read/28340474/studying-the-effects-of-natural-extracts-with-metabolomics-a-longitudinal-study-on-the-supplementation-of-healthy-rats-with-polygonum-cuspidatum-sieb-et-zucc
#2
Gregorio Peron, Jalal Uddin, Matteo Stocchero, Stefano Mammi, Elisabetta Schievano, Stefano Dall'Acqua
BACKGROUND: A longitudinal study was performed to evaluate the effects of Polygonum cuspidatum extract (standardized at 20% resveratrol) supplementation on healthy rats. The effects were explored by monitoring urinary metabolome changes using UPLC-HRMS and (1)H NMR-based approaches. The aim of the study was to explore the effects of P. cuspidatum supplementation on a healthy animal model using metabolomics, in order to determine possible modes of action and obtain information on bioactivity...
March 16, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/28340140/lipidomic-profiling-of-endometrial-fluid-in-women-with-ovarian-endometriosis
#3
Francisco Domínguez, Marcos Ferrando, Patricia Díaz-Gimeno, Fernando Quintana, Gemma Fernández, Inés Castells, Carlos Simón
The proteomic content of the endometrial fluid from patients with endometriosis has been investigated, but the lipidomic profile has not been analyzed yet in detail. This study is a comparative untargeted lipidomic analysis of human endometrial fluid obtained from thirty-five patients (12 endometriosis and 23 controls). Global differential lipidomic profile was analyzed in both groups by ultrahigh performance liquid chromatography (UPLC) coupled to mass spectrometry (MS). 123 out of the 457 metabolites identified in the endometrial fluid were found to be significantly differentially expressed between ovarian endometriosis versus controls...
March 18, 2017: Biology of Reproduction
https://www.readbyqxmd.com/read/28339202/a-novel-acylated-flavonol-tetraglycoside-with-inhibitory-effect-on-lipid-accumulation-in-3t3-l1-cells-from-lu-an-guapian-tea-and-quantification-of-flavonoid-glycosides-in-six-major-processing-types-of-tea-running-title-a-novel-acylated-flavonol-tetraglycoside
#4
Wu-Xia Bai, Chao Wang, Yijun Wang, Wen-Jun Zheng, Wei Wang, Xiaochun Wan, Guan-Hu Bao
A novel acylated flavonol tetraglycoside, kaempferol 3-O-[(E)-p- coumaroyl-(1→2)][α-L-arabinopyranosyl-(1→3)][β-D-glucopyranosyl (1→3)-α-L- rhamnopyranosyl (1→6)]-β-D-glucopyranoside (camellikaempferoside C, 1), together with two flavonol and eighteen flavone and flavonol glycosides (FGs) (2-21) was isolated from the green tea Lu'an GuaPian (Camellia sinensis L.O. Kuntze). Their structures were identified by spectroscopic and chemical methods. Four acylated FGs (1, 7, 8, 9) were found to inhibit the proliferation and differentiation of 3T3-L1 preadipocytes at the concentrations 25, 50, 100 µM (P < 0...
March 24, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28335440/profile-of-polyphenol-compounds-of-five-muscadine-grapes-cultivated-in-the-united-states-and-in-newly-adapted-locations-in-china
#5
Zheng Wei, Jianming Luo, Yu Huang, Wenfeng Guo, Yali Zhang, Huan Guan, Changmou Xu, Jiang Lu
Polyphenol compositions and concentrations in skins and seeds of five muscadine grapes (cv. "Noble", "Alachua", "Carlos", "Fry", and "Granny Val") cultivated in the United States (Tallahassee-Florida, TA-FL) and South China (Nanning-Guangxi, NN-GX and Pu'er-Yunnan, PE-YN) were investigated, using ultra performance liquid chromatography tandem triple quadrupole time-of-flight mass spectrometry (UPLC Triple TOF MS/MS). Fourteen ellagitannins were newly identified in these muscadine grapes. The grapes grown in NN-GX accumulated higher levels of ellagic acid, methyl brevifolin carboxylate, and ellagic acid glucoside in skins, and penta-O-galloyl-glucose in seeds...
March 14, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28333075/metabolic-profile-of-skimmianine-in-rats-determined-by-ultra-performance-liquid-chromatography-coupled-with-quadrupole-time-of-flight-tandem-mass-spectrometry
#6
Aihua Huang, Hui Xu, Ruoting Zhan, Weiwen Chen, Jiawei Liu, Yuguang Chi, Daidi Chen, Xiaoyu Ji, Chaoquan Luo
Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family. It has been reported to have analgesic, antispastic, sedative, anti-inflammatory, and other pharmacologic activities. Despite its critical pharmacological function, its metabolite profiling is still unclear. In this study, the in vivo metabolite profiling of skimmianine in rats was investigated using ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC/Q-TOF-MS). The metabolites were predicted using MetabolitePilot(TM) software...
March 23, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28332747/ultra-performance-liquid-chromatography-hyphenated-with-quadrupole-orbitrap-mass-spectrometry-for-simultaneous-determination-of-necine-core-structure-pyrrolizidine-alkaloids-in-crotalaria-sessiliflora-l-without-all-corresponding-standards
#7
Wei Zhang, Wenbei Huai, Yi Zhang, Jincan Shen, Xunyou Tang, Xiujuan Xie, Ke Wang, Huajun Fan
INTRODUCTION: Crotalaria sessiliflora L. is a Chinese traditional herb for treatment of cutaneum carcinoma and cervical carcinoma. In addition to monocrotaline, coexisting pyrrolizidine alkaloids (PAs) also require further quantification for quality control and pharmaceutical uses of the herb. OBJECTIVE: To establish a UPLC-Q-Orbitrap/MS method of simultaneous determination of coexisting PAs with same parent structure for quality control and comprehensive researches of Crotalaria sessiliflora L...
March 23, 2017: Phytochemical Analysis: PCA
https://www.readbyqxmd.com/read/28332443/migration-assessment-and-the-threshold-of-toxicological-concern-applied-to-the-safe-design-of-an-acrylic-adhesive-for-food-contact-laminates
#8
Elena Canellas, Paula Vera, Cristina Nerín
Adhesives are widely used in food packaging. The suitability of an acrylic adhesive used on food packaging has been studied. Six potential migrants have been identified using GC-MS and UPLC-QTOF. Five compounds were intentionally added (2-butoxyethanol and 2,4,7,9-tetramethyl-5-decyne-4,7-diol (TMDD) and TMDD ethoxylates). Moreover, one of the compounds identified as 2-(12-(methacryloyloxy)dodecyl)malonic acid was a non-intenionally added substance (NIAS), that could be a methyl metacrylate derivative. This has demonstrated that the identification of compounds in food packaging is an essential step when the risk evaluation of the package is being studied...
March 23, 2017: Food Additives & Contaminants. Part A, Chemistry, Analysis, Control, Exposure & Risk Assessment
https://www.readbyqxmd.com/read/28332230/screening-and-identification-of-multiple-constituents-and-their-metabolites-of-zhi-zi-chi-decoction-in-rat-urine-and-bile-by-uplc-q-tof-ms-ms
#9
Wei Feng, Qiuju Dong, Minyan Liu, Si Li, Ting Liu, Xinguo Wang, Liying Niu
Zhi-zi-chi decoction (ZZCD) is a classical formula widely used in Chinese clinical application. In the present study, a novel and efficient strategy has been developed for screening and identification of multiple constituents and their metabolites of ZZCD using ultra high performance liquid chromatography combined with triple TOF mass spectrometry. The novel approach of an on-line data acquisition method dependent on multiple mass defect filter and dynamic background subtraction is combined with multiple data processing techniques...
March 23, 2017: Biomedical Chromatography: BMC
https://www.readbyqxmd.com/read/28331852/effects-of-fmo3-polymorphisms-on-pharmacokinetics-of-sulindac-in-chinese-healthy-male-volunteers
#10
Yong-Jun Tang, Kai Hu, Wei-Hua Huang, Chong-Zhi Wang, Zhi Liu, Yao Chen, Dong-Sheng Ouyang, Zhi-Rong Tan, Hong-Hao Zhou, Chun-Su Yuan
Sulindac is a nonsteroidal anti-inflammatory drug, which is clinically used for the ailments of various inflammations. This study investigated the allele frequencies of FMO3 E158K and E308G and evaluated the influences of these two genetic polymorphisms on the pharmacokinetics of sulindac and its metabolites in Chinese healthy male volunteers. Eight FMO3 wild-type (FMO3 HHDD) subjects and seven FMO3 homozygotes E158K and E308G mutant (FMO3 hhdd) subjects were recruited from 247 healthy male volunteers genotyped by PCR-RFLP method...
2017: BioMed Research International
https://www.readbyqxmd.com/read/28330526/different-spectrophotometric-and-chromatographic-methods-for-determination-of-mepivacaine-and-its-toxic-impurity
#11
Nada S Abdelwahab, Nehal F Fared, Mohamed Elagawany, Esraa H Abdelmomen
Stability-indicating spectrophotometric, TLC-densitometric, and ultra-performance LC (UPLC) methods were developed forthe determination of mepivacaine HCl (MEP) in the presence of its toxic impurity, 2,6-dimethylanaline (DMA). Different spectrophotometric methods were developed for the determination of MEP and DMA. In a dual-wavelength method combined with direct spectrophotometric measurement, the absorbance difference between 221.4 and 240 nm was used for MEP measurements, whereas the absorbance at 283 nm was used for measuring DMA in the binary mixture...
February 21, 2017: Journal of AOAC International
https://www.readbyqxmd.com/read/28329708/transformation-of-para-arsanilic-acid-by-manganese-oxide-adsorption-oxidation-and-influencing-factors
#12
Tista Prasai Joshi, Gong Zhang, Hanyang Cheng, Ruiping Liu, Huijuan Liu, Jiuhui Qu
Aromatic organoarsenic compounds tend to transform into more mobile toxic inorganic arsenic via several processes, and can inadvertently spread toxic inorganic arsenic through the environment to water sources. To gain insight into the transformation mechanisms, we herein investigated how the process of para arsanilic acid (p-ASA) transformation works in detail on the surface of adsorbents by comparing it with phenylarsonic acid (PA) and aniline, which have similar chemical structures. In contrast to the values of 0...
March 18, 2017: Water Research
https://www.readbyqxmd.com/read/28328523/real-life-dabigatran-and-metabolite-concentrations-focused-on-inter-patient-variability-and-assay-differences-in-patients-with-atrial-fibrillation
#13
Kristel Boonen, Ellen Schmitz, Fleur Rozestraten, Dennis van den Heuvel, Luc Brunsveld, Pepijn van der Voort, Daan van de Kerkhof
BACKGROUND: Dabigatran is prescribed to increasing numbers of patients with atrial fibrillation (AF). Although routine monitoring is not considered to be useful, measuring drug concentrations can be clinically relevant in specific situations. The aim of this study was the comparison of different functional and non-functional assays for determination of dabigatran concentrations at different timepoints in a real-life patient population with AF. We focused on the differences between assays in identifying patients with low drug concentrations...
March 22, 2017: Clinical Chemistry and Laboratory Medicine: CCLM
https://www.readbyqxmd.com/read/28328039/reduction-of-metal-adducts-in-oligonucleotide-mass-spectra-in-ion-pair-reversed-phase-chromatography-mass-spectrometry-analysis
#14
Robert E Birdsall, Martin Gilar, Henry Shion, Ying Qing Yu, Weibin Chen
RATIONALE: Electrospray ionization mass spectrometry (ESI-MS)-based techniques commonly used in oligonucleotide analyses are known to be sensitive to alkali metal adduct formation. Adducts directly impact the sensitivity of MS-based analyses as the available charge is distributed across the parent peak and adduct(s). The current study systematically evaluated common liquid chromatography (LC) components in LC/ESI-MS configurations used in oligonucleotide analysis to identify metal adduct contributions from LC instrumentation...
July 30, 2016: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28328036/use-of-a-stable-isotope-labeled-reporter-peptide-and-antioxidants-for-reliable-quantification-of-methionine-oxidation-in-a-monoclonal-antibody-by-liquid-chromatography-mass-spectrometry
#15
Pilsoo Kang, Tanya Mezhebovsky, Wei Chen, James A McCardle, Sheng Zhang, Eric P Sullivan, Philip M Sass, Eric Routhier
RATIONALE: Accurate quantification of methionine oxidation in therapeutic proteins by liquid chromatography/mass spectrometry (LC/MS) is challenging due to the potential artifacts introduced during sample preparation and analysis in the peptide mapping workflow. In this study, a systematic approach for optimization of the peptide mapping procedure to achieve reliable quantification of endogenous methionine oxidation in monoclonal antibodies was developed. METHODS: The approach is based on usage of a stable-isotope-labeled reporter peptide, identical in sequence to the tryptic peptide of an IgG1 monoclonal antibody containing the methionine residue most prone to oxidation...
July 30, 2016: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28322061/potential-biomarkers-for-monitoring-the-toxicity-of-long-term-exposure-to-atrazine-in-rat-by-metabonomic-analysis
#16
Xiao-Feng Zhang, Chong-Hua Zhang, Jing Zheng, Long-Xue Li, Tian-Qi Geng, Yang Zhang
1. Herbicide atrazine (ATR) poses harmful effects on human health. The purpose of this study is to study potential biomarkers used for monitoring the toxic effects after chronic exposure to ATR by studying urine metabolites. 2. Rats were assigned into clinical chemistry and metabonomics arms, and each arm was divided into low-dose, high-dose and control groups. ATR was administered to rats along with their feed. At the end of 16, 20 and 24 weeks, clinical parameters and histopathologic changes was assessed to monitor the toxic effects...
March 21, 2017: Xenobiotica; the Fate of Foreign Compounds in Biological Systems
https://www.readbyqxmd.com/read/28322047/thiol-ene-monolithic-pepsin-microreactor-with-a-3d-printed-interface-for-efficient-uplc-ms-peptide-mapping-analyses
#17
Alexander Jönsson, Rasmus R Svejdal, Nanna B Bøgelund, Tam T T N Nguyen, Henrik Flindt, Jörg P Kutter, Kasper D Rand, Josiane Penelope Lafleur
To improve the sample handling, and reduce cost and preparation time, of peptide mapping LC-MS workflows in protein analytical research, we here investigate the possibility of replacing conventional enzymatic digestion methods with a polymer microfluidic chip-based enzyme reactor. Off-stoichiometric thiol-ene is utilized as both bulk material and as a monolithic stationary phase for immobilization of the proteolytic enzyme pepsin. The digestion efficiency of the, thiol-ene based, immobilized enzym reactor (IMER) is compared to that of a conventional, agarose packed bed, pepsin IMER column commonly used in LC-MS-based protein analyses...
March 21, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28322044/furocoumarin-kinetics-in-plasma-and-urine-of-healthy-adults-following-consumption-of-grapefruit-citrus-paradisi-macf-and-grapefruit-juice
#18
Melissa Moser Melough, Terrence M Vance, Sang Gil Lee, Anthony A Provatas, Christopher Perkins, Abrar Qureshi, Eunyoung Cho, Ock K Chun
Furocoumarins are a class of organic compounds found in a variety of vegetables and fruits. Relatively little is known about the absorption and excretion of these compounds following ingestion. The objective of this study was to identify furocoumarins in grapefruit and grapefruit juice, and observe their kinetics in blood and urine. The furocoumarins detected in grapefruit using UPLC-MS/MS were bergamottin, 6',7'-dihydroxybergamottin (6',7'-DHB), epoxybergamottin, and bergaptol. Bergamottin, 6',7'-DHB, bergaptol, and bergapten were detected in grapefruit juice...
March 21, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28318234/light-absorbing-brown-carbon-aerosol-constituents-from-combustion-of-indonesian-peat-and-biomass
#19
Sri Hapsari Budisulistiorini, Matthieu Riva, Michael Williams, Jing Chen, Masayuki Itoh, Jason Douglas Surratt, Mikinori Kuwata
Light-absorbing brown carbon (BrC) constituents of organic aerosol (OA) have been shown to significantly absorb ultra-violet (UV) and visible light, and thus, impact radiative forcing. However, molecular identification of the BrC constituents is still limited. In this study, we characterize BrC constituents at the molecular level in: i) aerosols emitted by combustion of peat, fern/leaf, and charcoal from Indonesia and ii) ambient aerosols collected in Singapore during the 2015 haze episode. Aerosols were analyzed using ultra-performance liquid chromatography interfaced to a diode array detector and electrospray ionization high-resolution quadrupole time-of-flight mass spectrometer (UPLC/DAD-(-)ESI-HR-QTOFMS) operated in the negative ion mode...
March 20, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/28317265/simultaneous-determination-of-eight-alkaloids-and-oleandrin-in-herbal-cosmetics-by-dispersive-solid-phase-extraction-coupled-with-ultra-high-performance-liquid-chromatography-and-tandem-mass-spectrometry
#20
Zhiqing Xun, Donghong Liu, Rongrong Huang, Shuang He, Du Hu, Xindong Guo, Yanping Xian
We utilized ultra high performance liquid chromatography with tandem mass spectrometry and dispersive solid-phase extraction to develop a new method for the detection of nine analytes (scopolamine, cephaeline, strychnine, hyoscyamine, brucine, hydrastine, ajmalicine, colchicine and oleandrin) in herbal cosmetics. Acetonitrile/water and 2-propylaminoethylamine were used to disperse and purify during the dispersive solid-phase extraction step. The analytes were separated by a Waters UPLC HSS T3 column and detected through electrospray ionization source in the positive mode with multi-reaction monitoring conditions...
March 20, 2017: Journal of Separation Science
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