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Conformational differentiation of α‐cyanohydroxycinnamic acid isomers: a Raman spectroscopic study

Published: Jul 27, 2017

Author(s): Jayson Vedad, Maciej E. Domaradzki, Elmer‐Rico E. Mojica, Emmanuel J. Chang, Adam A. Profit, Ruel Z. B. Desamero

Journal: Journal of Raman Spectroscopy

Two α‐cyanohydroxycinnamic acid positional isomers, α‐cyano‐4‐hydroxycinnamic acid (CHCA4) and α‐cyano‐3‐hydroxycinnamic acid (CHCA3), were characterized by using Raman spectroscopy. We analysed the implications of the collected Raman spectral shifts, and verified them through other spectroscopic techniques, to arrive at plausible three dimensional structures of CHCA3 and CHCA4. The positions of these groups were mapped by systematically...

Read More thumbnail image: Conformational differentiation of cyanohydroxycinnamic acid isomers a Raman spectroscopic study

Development and applications of nonlinear optical spectroscopy: 15th ECONOS/35th ECW meeting in Gothenburg (Sweden)

Published: Jul 27, 2017

Author(s): Stina Hemdal, David Sedarsky, Johannes Kiefer, Julian Moger

Journal: Journal of Raman Spectroscopy

Read More thumbnail image: Development and applications of nonlinear optical spectroscopy 15th ECONOS35th ECW meeting in Gothenburg Sweden

Enhanced Raman and photoluminescence response in monolayer MoS 2 due to laser healing of defects

Published: Jul 27, 2017

Author(s): Achintya Bera, D. V. S. Muthu, A. K. Sood

Journal: Journal of Raman Spectroscopy

Bound quasiparticles, negatively charged trions and neutral excitons are associated with the direct optical transitions at the K‐points of the Brillouin zone for monolayer MoS2. The change in the carrier concentration, surrounding dielectric constant, and defect concentration can modulate the photoluminescence and Raman spectra. Here, we show that exposing the monolayer MoS2 in air to a modest laser intensity for a brief period of time enhances...

Read More thumbnail image: Enhanced Raman and photoluminescence response in monolayer MoS 2 due to laser healing of defects

The application of Raman spectroscopy to djerfisherite identification

Published: Jul 26, 2017

Author(s): Alexander V. Golovin, Sergey V. Goryainov, Svetlana N. Kokh, Igor S. Sharygin, Sergey V. Rashchenko, Konstantin A. Kokh, Ella V. Sokol, Anna S. Devyatiyarova

Journal: Journal of Raman Spectroscopy

Raman spectra were acquired from the synthetic cubic K6Fe25S26Cl phase (55.3 wt% Fe) and ten natural djerfisherites K6(Fe,Cu,Ni)25S26Cl with various contents of Fe (from 15.5 to 22.6 atoms per formula unit (apfu)) and Ni + Cu + Co (from 1.4 to 9.0 apfu). The natural samples came from rocks of the Udachnaya, Obnazhennaya and Vtorogodnitsa kimberlite pipes and high‐grade contact marbles near Kochumdek River (Siberian craton,...

Read More thumbnail image: The application of Raman spectroscopy to djerfisherite identification

Comparison of seven portable Raman spectrometers: beryl as a case study

Published: Jul 26, 2017

Author(s): Jan Jehlička, Adam Culka, Danilo Bersani, Peter Vandenabeele

Journal: Journal of Raman Spectroscopy

In this paper, a series of beryl varieties with the accent on emeralds was investigated using seven portable Raman spectrometers equipped mainly with 785‐ and 532‐nm excitation lasers. Additionally, one dual system and a new portable sequentially shifted excitation Raman spectrometer were applied. The advantage of using handheld instrumentation for investigations to be carried out outside the laboratory is well documented. For major part...

Read More thumbnail image: Comparison of seven portable Raman spectrometers beryl as a case study

Metabolism of novel opioid agonists U‐47700 and U‐49900 using human liver microsomes with confirmation in authentic urine specimens from drug users

Published: Jul 26, 2017

Author(s): Alex J. Krotulski, Amanda L. A. Mohr, Donna M. Papsun, Barry K. Logan

Journal: Drug Testing and Analysis

Recently, the number of adverse events, including death, involving novel opioids has continued to increase, providing additional and sustained challenges for forensic and medical communities. Identification of emerging novel opioids can be challenging, compounded by detection windows and unknown metabolic profiles. In this study, human liver microsomes were used for the generation of in vitro metabolic profiles of U‐47700 and U‐49900....

Read More thumbnail image: Metabolism of novel opioid agonists U47700 and U49900 using human liver microsomes with confirmation in authentic urine specimens from drug users

Analytical methodologies for the stereoselective determination of fluoxetine: An overview

Published: Jul 26, 2017

Author(s): Gabriel Hancu, Melania Cârcu‐Dobrin, Monica Budău, Aura Rusu

Journal: Biomedical Chromatography

Abstract Fluoxetine is a widely used antidepressant belonging to the selective serotonin reuptake inhibitor class; it is used in the treatment of major depression, obsessive compulsive, premenstrual dysphoric, panic and post‐traumatic stress disorders. Fluoxetine is an optical active pharmaceutical substance, which is used as a racemate in therapy, but stereospecific interactions associated with the serotonin‐reuptake carrier, for...

Read More thumbnail image: Analytical methodologies for the stereoselective determination of fluoxetine An overview

Elevated levels of liver methylglyoxal and d ‐lactate in early‐stage hepatitis in rats

Published: Jul 26, 2017

Author(s): Wen‐Chuang Wang, Chu‐Kuang Chou, Ming‐Cheng Chuang, Yi‐Chieh Li, Jen‐Ai Lee

Journal: Biomedical Chromatography

Abstract Methylglyoxal (MGO) is highly cytotoxic and its levels are elevated in diabetes, nephropathy and atherosclerosis. However, it has never been studied in liver disease. For this reason, we aimed to assess the levels of MGO and its metabolite d‐lactate in an early hepatitis model. Wistar rats were administered CCl4 (0.75 mL/kg, i.p.) to induce hepatitis. In either CCl4‐treated or untreated rats, alanine transaminase and aspartate transaminase levels...

Read More thumbnail image: Elevated levels of liver methylglyoxal and d lactate in earlystage hepatitis in rats

Simultaneous determination of ginsenoside Rb1, ginsenoside Rg1, paeoniflorin, albiflorin and oxypaeoniflorin in rat plasma by liquid chromatography–tandem mass spectrometry: Application to a pharmacokinetic study of wen‐Yang‐Huo‐Xue soft capsule

Published: Jul 26, 2017

Author(s): Xiujun Wu, Yang You, Gonglin Qu, Ran Ma, Mingxue Zhang

Journal: Biomedical Chromatography

Abstract A simple and sensitive HPLC–MS/MS method was developed and fully validated for simultaneous determination of ginsenoside Rb1, ginsenoside Rg1, paeoniflorin, albiflorin and oxypaeoniflorin in rat plasma. Plasma samples were pretreated with protein precipitation using acetonitrile. The chromatographic separation was carried out on a C18 column with a gradient mobile phase consisting of acetonitrile and water (containing 0.1% formic...

Read More thumbnail image: Simultaneous determination of ginsenoside Rb1 ginsenoside Rg1 paeoniflorin albiflorin and oxypaeoniflorin in rat plasma by liquid chromatographytandem mass spectrometry Application to a pharmacokinetic study of wenYangHuoXue soft capsule

Raman excitation profiles of hybrid systems constituted by single‐layer graphene and free base phthalocyanine: Manifestations of two mechanisms of graphene‐enhanced Raman scattering

Published: Jul 26, 2017

Author(s): Tereza Uhlířová, Peter Mojzeš, Zuzana Melniková, Martin Kalbáč, Veronika Sutrová, Ivana Šloufová, Blanka Vlčková

Journal: Journal of Raman Spectroscopy

The ability of single‐layer graphene (SLG) to enhance Raman scattering of planar aromatic molecules denoted graphene‐enhanced Raman scattering (GERS) is currently the subject of focused interest. We report on manifestations of two mechanisms of GERS in Raman spectra of glass/SLG/free base phthalocyanine (H2Pc) monolayer (ML) hybrid systems: (i) photoinduced charge transfer from SLG Fermi level to LUMO of H2Pc excited at onset of the near IR region,...

Read More thumbnail image: Raman excitation profiles of hybrid systems constituted by singlelayer graphene and free base phthalocyanine Manifestations of two mechanisms of grapheneenhanced Raman scattering

Syntheses, analytical and pharmacological characterizations of the ‘legal high’ 4‐[1‐(3‐methoxyphenyl)cyclohexyl]morpholine (3‐MeO‐PCMo) and analogues

Published: Jul 26, 2017

Author(s): Tristan Colestock, Jason Wallach, Matt Mansi, Nadine Filemban, Hamilton Morris, Simon P. Elliott, Folker Westphal, Simon D. Brandt, Adeboye Adejare

Journal: Drug Testing and Analysis

New psychoactive substances (NPS) are commonly referred to as ‘research chemicals’, ‘designer drugs’ or ‘legal highs’. One NPS class is represented by dissociative anesthetics, which include analogues of the arylcyclohexylamine phencyclidine (PCP), ketamine and diphenidine. A recent addition to the NPS market was 4‐[1‐(3‐methoxyphenyl)cyclohexyl]morpholine (3‐MeO‐PCMo), a morpholine analogue of 3‐MeO‐PCP. Although suspected to have...

Read More thumbnail image: Syntheses analytical and pharmacological characterizations of the legal high 413methoxyphenylcyclohexylmorpholine 3MeOPCMo and analogues

Assessing the toxicological significance of new psychoactive substances in fatalities

Published: Jul 26, 2017

Author(s): Simon Elliott, Roumen Sedefov, Michael Evans‐Brown

Journal: Drug Testing and Analysis

Read More thumbnail image: Assessing the toxicological significance of new psychoactive substances in fatalities

An LC–MS/MS method for determination of bioactive components of liquorice and Semen Strychni in rat plasma: Application to a pharmacokinetics study

Published: Jul 26, 2017

Author(s): Min Zhang, Yang Deng, Chao Wang, Hua‐Lin Cai, Jing Wen, Ping‐Fei Fang, Bi‐Kui Zhang, Huan‐De Li, Miao Yan

Journal: Drug Testing and Analysis

Semen Strychni is known for its treatment of rheumatic arthritis with a low therapeutic index. Liquorice contributes a lot in herb detoxification according to the traditional Chinese medicine theory. A simple, rapid, and sensitive liquid chromatography–mass spectrometric method (LC–MS) was developed and validated for simultaneous determination of main bioactive ingredients in liquorice and Semen Strychni in rat plasma. Using moclobemide...

Read More thumbnail image: An LCMSMS method for determination of bioactive components of liquorice and Semen Strychni in rat plasma Application to a pharmacokinetics study

RpeakChrom: Novel R package for the automated characterization and optimization of column efficiency in high‐performance liquid chromatography analysis

Published: Jul 26, 2017

Author(s): Manuel David Peris‐Díaz, Maria Isabel Alcoriza‐Balaguer, Juan Carlos García‐Cañaveras, Francisco Santonja, Enrique Sentandreu, Agustín Lahoz

Journal: ELECTROPHORESIS

Characterization of chromatographic columns using the traditional van Deemter method is limited by the necessity of calculating extra‐column variance, issue particularly relevant when modeling asymmetrical peaks eluted from monolithic columns. A novel R package that implements Parabolic Variance Modified Gaussian approach for accurate peak modeling, van Deemter equation and two alternatives approaches, based on van Deemter, has been...

Read More thumbnail image: RpeakChrom Novel R package for the automated characterization and optimization of column efficiency in highperformance liquid chromatography analysis

Enantioselective determination of R ‐(−)‐manidipine and S ‐(+)‐manidipine in human plasma by a sensitive and selective chiral LC–MS/MS assay

Published: Jul 25, 2017

Author(s): Vinayender Adireddy, Bhavani Prasanna Kumar Bimireddy, Venkateswarlu Ponneri

Journal: Biomedical Chromatography

Abstract A sensitive and selective liquid chromatography–tandem mass spectrometric (LC–MS/MS) assay method has been developed and validated for the enantioselective determination of manidipine in human plasma using isotope‐labeled compounds as internal standards. After solid‐phase extraction, R‐(−)‐manidipine and S‐(+)‐manidipine were chromatographed on a Chiralpack IC‐3 C18 column using a isocratic mobile phase composed of 2 mm ammonium...

Read More thumbnail image: Enantioselective determination of R manidipine and S manidipine in human plasma by a sensitive and selective chiral LCMSMS assay

Determination of silodosin and its active glucuronide metabolite KMD‐3213G in human plasma by LC–MS/MS for a bioequivalence study

Published: Jul 25, 2017

Author(s): Priyanka A. Shah, Pranav S. Shrivastav

Journal: Biomedical Chromatography

Abstract A sensitive and selective liquid chromatography–tandem mass spectrometry (LC–MS/MS) method is described for the simultaneous determination of silodosin (SLD) and its active metabolite silodosin β‐d‐glucuronide (KMD‐3213G) in human plasma. Liquid–liquid extraction of plasma samples was carried out with ethyl acetate and methyl tert‐butyl ether solvent mixture using deuterated analogs as internal standards. The extraction recoveries of...

Read More thumbnail image: Determination of silodosin and its active glucuronide metabolite KMD3213G in human plasma by LCMSMS for a bioequivalence study

Recent applications of metal–organic frameworks in sample pretreatment

Published: Jul 20, 2017

Author(s): Yonghua Wang, Min Rui, Guanghua Lu

Journal: Journal of Separation Science

Metal–organic frameworks are promising materials in diverse analytical applications especially in sample pretreatment by virtue of their diverse structure topology, tunable pore size, permanent nanoscale porosity, high surface area, and good thermostability. According to hydrostability, metal–organic frameworks are divided into moisture‐sensitive and water‐stable types. In the actual applications, both kinds of metal–organic frameworks...

Read More thumbnail image: Recent applications of metalorganic frameworks in sample pretreatment

Polychromatic simultaneous WDXRF for chemical state analysis using laboratory X‐ray source

Published: Jul 20, 2017

Author(s): Kenji Sato, Akihiro Nishimura, Masatomo Kaino, Susumu Adachi

Journal: X-Ray Spectrometry

The authors have started the development of a new scanning‐free, wavelength‐dispersive X‐ray fluorescence spectrometer, which uses a silicon strip detector instead of a goniometer, a slit, flat analyzing crystal, and laboratory X‐ray source. The X‐rays dispersed by the slit and flat analyzing crystal are detected simultaneously by different silicon strip detector channels, and a high energy resolution is achieved by limiting the...

Read More thumbnail image: Polychromatic simultaneous WDXRF for chemical state analysis using laboratory Xray source

Quantitative bioanalysis of bavachalcone in rat plasma by LC–MS/MS and its application in a pharmacokinetics study

Published: Jul 20, 2017

Author(s): Dan Zhou, Lianhua An, Yan Xia, Yuanyi Wang, Xingliang Li

Journal: Biomedical Chromatography

Abstract This study aims to develop and validate a simple and sensitive liquid chromatography with tandem mass spectrometry (LC–MS/MS) method for investigating the pharmacokinetic characteristics of bavachalcone. Liquid–liquid extraction was used to prepare plasma sample. Chromatographic separation of bavachalcone and IS was achieved using a Venusil ASB C18 (2.1 × 50 mm, 5 μm) column with a mobile phase of methanol (A)–water (B) (70:30, v/v)....

Read More thumbnail image: Quantitative bioanalysis of bavachalcone in rat plasma by LCMSMS and its application in a pharmacokinetics study

Fatal intoxication by 5F–ADB and diphenidine: Detection, quantification, and investigation of their main metabolic pathways in humans by LC/MS/MS and LC/Q‐TOFMS

Published: Jul 19, 2017

Author(s): Maiko Kusano, Kei Zaitsu, Kentaro Taki, Kazuaki Hisatsune, Jun'ichi Nakajima, Takako Moriyasu, Tomomi Asano, Yumi Hayashi, Hitoshi Tsuchihashi, Akira Ishii

Journal: Drug Testing and Analysis

Despite the implementation of a new blanket scheduling system in 2013, new psychoactive substance (NPS) abuse remains a serious social concern in Japan. We present a fatal intoxication case involving 5F–ADB (methyl 2‐[1‐(5‐fluoropentyl)‐1H–indazole‐3‐carboxamido]‐3,3‐dimethylbutanoate) and diphenidine. Postmortem blood screening by liquid chromatography/quadrupole time‐of‐flight mass spectrometry (LC/Q‐TOFMS) in the information‐dependent acquisition...

Read More thumbnail image: Fatal intoxication by 5FADB and diphenidine Detection quantification and investigation of their main metabolic pathways in humans by LCMSMS and LCQTOFMS
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