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Serum N ‐glycans outperform CA19‐9 in diagnosis of extrahepatic cholangiocarcinoma

Published: Aug 25, 2017

Author(s): Mengmeng Wang, Meng Fang, Jianhui Zhu, Huijuan Feng, Elisa Warner, Changhong Yi, Jun Ji, Xing Gu, Chunfang Gao

Journal: ELECTROPHORESIS

Extensive efforts have been devoted to improve the diagnosis of extrahepatic cholangiocarcinoma (ECCA) due to its silent clinical character and lack of effective diagnostic biomarkers. Specific alterations in N‐glycosylation of glycoproteins are considered a key component in cancer progression, which can serve as a distinct molecular signature for cancer detection. This study aims to find potential serum N‐glycan markers for ECCA. In total, 255 serum...

Read More thumbnail image: Serum N glycans outperform CA199 in diagnosis of extrahepatic cholangiocarcinoma

Quantitative spontaneous Raman scattering spectroscopy in artificial binary lipid membranes

Published: Aug 25, 2017

Author(s): S. Rieger, D. Grill, V. Gerke, C. Fallnich

Journal: Journal of Raman Spectroscopy

The cholesterol concentration in lipid membranes is an important parameter that influences signaling processes as well as the structure of membranes. We show that the cholesterol content in giant unilamellar vesicles from binary lipid mixtures of cholesterol and 1‐palmitoyl‐2‐oleoyl‐sn‐glycero‐3‐phosphocholine can be quantitatively assessed with spontaneous Raman scattering spectroscopy. An analytical model employing correlation analysis...

Read More thumbnail image: Quantitative spontaneous Raman scattering spectroscopy in artificial binary lipid membranes

Validated LC–MS/MS method for quantitation of demethylbellidifolin in rat plasma and its application to pharmacokinetic and bioavailability studies

Published: Aug 24, 2017

Author(s): Jie Zhang, Huiyu Yan, Xiaoyu Qu, Wei Zhou

Journal: Biomedical Chromatography

Abstract Demethylbellidifolin, a major xanthone compound of Swertia davidi Franch, shows many beneficial pharmacological effects including antioxidation, anti‐inflammation, anti‐fibrosis and cardiovascular protection effects. In this research, a rapid and sensitive LC–MS/MS method for the quantitative analysis of demethylbellidifolin in rat plasma was developed. The demethylbellidifolin and internal standard of aurantio‐obtusin were extracted...

Read More thumbnail image: Validated LCMSMS method for quantitation of demethylbellidifolin in rat plasma and its application to pharmacokinetic and bioavailability studies

Tip‐enhanced Raman scattering of graphene

Published: Aug 24, 2017

Author(s): Ryan Beams

Journal: Journal of Raman Spectroscopy

This article reviews the mechanism of tip‐enhanced Raman spectroscopy (TERS) and its importance for characterizing graphene. The theoretical foundation of TERS and experimental implementation are discussed. Conventionally, Raman scattering is treated as a spatially incoherent process where the total signal is proportional to the scattering volume. However, in the near‐field regime, the scattered fields can add coherently because the TERS...

Read More thumbnail image: Tipenhanced Raman scattering of graphene

Heroin in Malaysia and Singapore

Published: Aug 24, 2017

Author(s): Maimonah Sulaiman, Vanitha Kunalan, Angeline T. W. Yap, Wendy J. L. Lim, Joey Joo Yee Ng, Samuel Wei Xiong Loh, K. B. Chan

Journal: Drug Testing and Analysis

Abstract Clandestine heroin laboratories have been a feature of the Malaysian illicit drug scene since soon after the abuse of heroin emerged in 1972. The first few clandestine heroin laboratories which synthesised heroin via the acetylation of imported morphine were uncovered in 1973 and 1977. By the mid‐1980s, this type of laboratory was replaced by heroin‐cutting laboratories whereby imported high‐grade heroin was cut to street...

Read More thumbnail image: Heroin in Malaysia and Singapore

Development and validation of an LC–MS/MS method for the simultaneous quantification of seven constituents in rat plasma and application in a pharmacokinetic study of the Zaoren Anshen prescription

Published: Aug 24, 2017

Author(s): Ajing Zhao, Li Zhang, Rong Li, Jiao Shang, Huihui Yi, Yuan Wang, Dian Zhang, Shixiang Wang, Minfeng Fang

Journal: Biomedical Chromatography

Abstract A sensitive, specific and accurate liquid chromatography–tandem mass spectrometry (LC–MS/MS) method was developed and validated for the simultaneous determination of seven constituents of the Zaoren Anshen prescription (ZAP) in rat plasma after oral administration of the ZAP: spinosin, salvianic acid A, 6′′′‐feruloylspinosin, protocatechualdehyde, salvianolic acid B, schisandrin and deoxyschisandrin. The plasma samples and...

Read More thumbnail image: Development and validation of an LCMSMS method for the simultaneous quantification of seven constituents in rat plasma and application in a pharmacokinetic study of the Zaoren Anshen prescription

Chemical and spectroscopic investigations of K‐H3O‐Na jarosite solid solutions applicable for Mars explorations

Published: Aug 24, 2017

Author(s): Fengke Cao, Zongcheng Ling, Yuheng Ni

Journal: Journal of Raman Spectroscopy

Jarosite is the first definitely discovered ferric sulfate mineral on Mars, indicating a highly acidic environment in Martian history. K‐H3O and Na‐H3O jarosite solid solutions were synthesized under hydrothermal conditions. Phase identifications and chemical compositions were determined by X‐ray diffraction and scanning electron microscopy coupled with energy dispersive spectroscopy. Raman spectra of those two series of jarosite solid...

Read More thumbnail image: Chemical and spectroscopic investigations of KH3ONa jarosite solid solutions applicable for Mars explorations

SERS , Raman , and DFT analyses of fentanyl and carfentanil: Toward detection of trace samples

Published: Aug 24, 2017

Author(s): Jennifer Leonard, Abed Haddad, Omar Green, Ronald L. Birke, Thomas Kubic, Ali Kocak, John R. Lombardi

Journal: Journal of Raman Spectroscopy

Abstract We examine the normal Raman and the surface‐enhanced Raman spectra of fentanyl and carfentanil. As an aid in the assignment of the spectral lines, we present a density functional theory calculation. Although Raman spectroscopy is a valuable analytic tool for the detection and identification of molecular species, it is a weak effect and requires specialized equipment for detection of trace samples. We therefore turn to...

Read More thumbnail image: SERS  Raman  and DFT analyses of fentanyl and carfentanil Toward detection of trace samples

Physicochemical and rheological characterization of different Carnoy's solutions applied in oral and maxillofacial surgery

Published: Aug 24, 2017

Author(s): Francisco Samuel Rodrigues Carvalho, Victor Pinheiro Feitosa, Said Gonçalves Cruz Fonseca, Thiago Dias Vasconcelos Araújo, Eduardo Costa Studart Soares, Cristiane Sá Roriz Fonteles, Thyciana Rodrigues Ribeiro, Fábio Wildson Gurgel Costa

Journal: Journal of Raman Spectroscopy

Abstract Carnoy's solution has been widely undertaken as adjunctive therapy for benign odontogenic tumors. Although its outcomes were highly investigated, little information is available regarding its mechanism of action and the role of chloroform in composition. The aim of this study was to characterize Carnoy's solution (with and without chloroform) in order to survey its physicochemical and pharmacological properties. UV/Vis...

Read More thumbnail image: Physicochemical and rheological characterization of different Carnoys solutions applied in oral and maxillofacial surgery

Painting and heating: A nonconventional, scalable route to sensitive biomolecular analysis with plasmon‐enhanced spectroscopy

Published: Aug 24, 2017

Author(s): Zufang Huang, Soumik Siddhanta, Chi Zhang, Thomas Kickler, Gang Zheng, Ishan Barman

Journal: Journal of Raman Spectroscopy

Abstract We present a solution‐processed method of silver nanostructured layer formation over a cellulose membrane to develop a low‐cost, paper‐based surface‐enhanced Raman spectroscopy (SERS) molecular detection platform. Our synthesis method enables the formation of distinct spatial regions with controllable wettabilities for optimum analyte flow through the paper analytical device. The ink‐based coating technique ensures uniform...

Read More thumbnail image: Painting and heating A nonconventional scalable route to sensitive biomolecular analysis with plasmonenhanced spectroscopy

Silibinin affects the pharmacokinetics of methadone in rats

Published: Aug 24, 2017

Author(s): Pei‐Pei Pan, Jun Wang, Jun Luo, Shuang‐Hu Wang, Yun‐Fang Zhou, Sai‐Zhen Chen, Zhou Du

Journal: Drug Testing and Analysis

The aim of the present study was to investigate the pharmacokinetic effect of silibinin on methadone in rats. Twenty‐four male Sprague–Dawley rats were randomly divided into 4 groups: control group, single dose of 100 mg/kg group, multiple doses of 100 mg/kg group, and multiple doses of 30 mg/kg group. A single dose of 6 mg/kg methadone was administrated to rats orally without or with silibinin. Plasma samples were...

Read More thumbnail image: Silibinin affects the pharmacokinetics of methadone in rats

Detection of metabolites of the new synthetic cannabinoid CUMYL‐4CN‐BINACA in authentic urine samples and human liver microsomes using high‐resolution mass spectrometry

Published: Aug 24, 2017

Author(s): Yeter Erol Öztürk, Oya Yeter, Serkan Öztürk, Goksun Karakus, Ismail Ates, Yalçın Buyuk, Turkan Yurdun

Journal: Drug Testing and Analysis

Abstract CUMYL‐4CN‐BINACA(1‐(4‐cyanobutyl)‐N‐(2‐phenylpropan‐2‐yl)‐1H–indazole‐3‐carboxamide) is a recently introduced indazole‐3‐carboxamide‐type synthetic cannabinoid (SC) that was detected in herbal incense seized by of the Council of Forensic Medicine, Istanbul Narcotics Department, in May 2016 in Turkey. Recently introduced SCs are not detected in routine toxicological analysis; therefore, analytical methods to measure these compounds ...

Read More thumbnail image: Detection of metabolites of the new synthetic cannabinoid CUMYL4CNBINACA in authentic urine samples and human liver microsomes using highresolution mass spectrometry

Fault detection based on weighted difference principal component analysis

Published: Aug 23, 2017

Author(s): Jinyu Guo, Xin Wang, Yuan Li, Guozhu Wang

Journal: Journal of Chemometrics

Abstract Recently, multivariate statistical methods, such as principal component analysis (PCA), have drawn increasing attention for fault detection applications in industrial processes. However, industrial processes typically have complex multimodal and nonlinear characteristics. In these situations, the traditional PCA method performs poorly due to its assumption that the process data are linear and unimodal. To improve fault...

Read More thumbnail image: Fault detection based on weighted difference principal component analysis

Independent component analysis based on data‐driven reconstruction of multi‐fault diagnosis

Published: Aug 23, 2017

Author(s): Lin Feng, Yingwei Zhang, Xuguang Li, Yuanjian Fu

Journal: Journal of Chemometrics

Abstract Independent component analysis based on data‐driven reconstruction has been widely used in online fault diagnosis for industrial processes. As an alternative to conventional contribution plots, the reconstruction‐based fault diagnosis method has been drawing special attention. The method detects fault information with a specific reconstruction model based on historical fault data. In this paper, a novel method was proposed...

Read More thumbnail image: Independent component analysis based on datadriven reconstruction of multifault diagnosis

Development and validation of an optical biosensor for rapid monitoring of adalimumab in serum of patients with Crohn's disease

Published: Aug 23, 2017

Author(s): Sumin Bian, Jiadi Lu, Filip Delport, Séverine Vermeire, Dragana Spasic, Jeroen Lammertyn, Ann Gils

Journal: Drug Testing and Analysis

Abstract Therapeutic drug monitoring of adalimumab is recommended to improve therapeutic outcome in patients with Crohn's disease. Performing an ELISA requires a rather long time‐to‐result and the necessity of collecting multiple samples to decrease the cost per adalimumab determination. In this study, we aim to develop and validate a rapid assay suitable for measuring a single adalimumab serum sample using a fiber‐optic surface...

Read More thumbnail image: Development and validation of an optical biosensor for rapid monitoring of adalimumab in serum of patients with Crohns disease

UPLC–MS/MS method for therapeutic drug monitoring of 10 antibiotics used in intensive care units

Published: Aug 23, 2017

Author(s): Nahed El‐Najjar, Julian Hösl, Thomas Holzmann, Jonathan Jantsch, André Gessner

Journal: Drug Testing and Analysis

A large variation in the levels of different ß‐lactams and other antibiotics used in critically ill patients has been documented. The aim of this study is to establish and validate a fast, ultra‐performance liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) method for the simultaneous analysis of ten antibiotics (Meropenem, Cefepime, Ceftazidime, Piperacillin, Benzylpenicillin, Ampicillin, Flucloxacillin, Linezolid, and...

Read More thumbnail image: UPLCMSMS method for therapeutic drug monitoring of 10 antibiotics used in intensive care units

Discrimination between closely related synthetic cannabinoids by GC–Cold–EI–MS

Published: Aug 23, 2017

Author(s): Evgeny Smolianitski‐Fabian, Etia Cohen, Marina Dronova, Anna Voloshenko‐Rossin, Ovadia Lev

Journal: Drug Testing and Analysis

Gas chromatography thermal‐electron ionization mass spectrometry (GC–EI–MS) is an established method for the identification of mind‐altering substances and is routinely used by forensic laboratories. However, some commonly analyzed drugs of abuse, relating to the synthetic cannabinoids receptor agonist group (SCs), pose a challenge for this conventional technique. As the molecular cation radicals of many excited SCs...

Read More thumbnail image: Discrimination between closely related synthetic cannabinoids by GCColdEIMS

Determination of testosterone esters in the hair of male greyhound dogs using liquid chromatography–high resolution mass spectrometry

Published: Aug 23, 2017

Author(s): Jayasree Leela Devi, Paul Zahra, John H. Vine, Ted Whittem

Journal: Drug Testing and Analysis

The doping of greyhound dogs with testosterone is done in an attempt to improve their athletic performance, but such doping cannot easily be confirmed, especially in male dogs owing to the natural presence of endogenous testosterone. As testosterone is usually administered as its esters, their direct detection in hair would provide confirmatory evidence of the administration of a pharmaceutical product. This article demonstrates that the...

Read More thumbnail image: Determination of testosterone esters in the hair of male greyhound dogs using liquid chromatographyhigh resolution mass spectrometry

Identification of hit compounds for squalene synthase: Three‐dimensional quantitative structure‐activity relationship pharmacophore modeling, virtual screening, molecular docking, binding free energy calculation, and molecular dynamic simulation

Published: Aug 23, 2017

Author(s): M. Hou, G. Yan, X. Ma, J. Luo, X. Hou, M. Zhou, C. Pu, X. Han, W. Zhang, M. Zhang, J. Shi, R. Li

Journal: Journal of Chemometrics

Squalene synthase (SQS) is the key precursor in the synthesis of cholesterol. Located downstream in relation to hydroxy methylglutaryl coenzyme A reductase and having no influence on the formation of biologically necessary isoprenoids make it an interesting target for the development of cholesterol lowering drugs with fewer side effects. To discover novel SQS inhibitors, three‐dimensional quantitative structure‐activity relationship...

Read More thumbnail image: Identification of hit compounds for squalene synthase Threedimensional quantitative structureactivity relationship pharmacophore modeling virtual screening molecular docking binding free energy calculation and molecular dynamic simulation

Calculation of topological indices from molecular structures and applications

Published: Aug 23, 2017

Author(s): Qingyou Zhang, Kaixia Xiao, Mengyao Chen, Lu Xu

Journal: Journal of Chemometrics

Abstract This mini review presents a brief description of the research efforts for new topological indices of organic molecular structures undertaken in the authors' laboratory at Changchun Institute of Applied Chemistry, Chinese Academy of Sciences. They were used for the processing of chemical information, as highly selective topological indices for uniqueness determination, as highly selective atomic chiral indices for chiral...

Read More thumbnail image: Calculation of topological indices from molecular structures and applications
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