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A novel spinel coating on cobalt‐based Superalloy GH605 via an in‐situ oxidation approach

Published: Feb 1, 2018

Author(s): Kai Zhang, Jinglei Liu, Binbin Bao, Hong Xu

Journal: Surface and Interface Analysis

Cr‐Mn‐O spinel coating was prepared on the surface of cobalt‐based superalloy GH605 via an in‐situ oxidation method in H2O‐H2 environment. The composition, morphology, and chemical value state of the oxide spinel coatings were investigated by SEM, EDS, XRD, Raman spectra, and XPS. It indicated that the morphology of coating varied with oxidation temperature, and granular surface appeared when oxidation temperature increased to 1100°C. The formed...

Read More thumbnail image: A novel spinel coating on cobaltbased Superalloy GH605 via an insitu oxidation approach

Interview with David A. Case: On force fields, biomolecular modeling, and NMR

Published: Feb 1, 2018

Author(s): David A. Case, Nikolai R. Skrynnikov

Journal: Concepts in Magnetic Resonance Part A

Abstract Prof. David Case is based in the Department of Chemistry and Chemical Biology at Rutgers University. In this interview he speaks about force field development and validation, predictive power of MD models, combining physics‐based force fields with empirical scoring functions, MD modeling of disordered proteins and RNA, synergies between MD simulations and NMR measurements, and chemical shift calculations. The video of this...

Read More thumbnail image: Interview with David A_ Case On force fields biomolecular modeling and NMR

Van't Hoff analysis in chiral chromatography

Published: Jan 31, 2018

Author(s): Leonid D. Asnin, Maria V. Stepanova

Journal: Journal of Separation Science

Abstract The present review discusses the theory and application of van't Hoff analysis in chiral chromatography, with main focus on liquid chromatography. The topics considered include the physical meaning of van't Hoff equation's parameters, interpretation of thermodynamic data in terms of retention and enantioseparation mechanisms, abnormal behavior of van't Hoff plots, and best practices to avoid biased results. ...

Read More thumbnail image: Vant Hoff analysis in chiral chromatography

Systematic study on metabolism and activity evaluation of Radix Scutellaria extract in rat plasma using UHPLC with quadrupole time‐of‐flight mass spectrometry and microdialysis intensity‐fading mass spectrometry

Published: Jan 31, 2018

Author(s): Xueju Zhang, Shu Liu, Junpeng Xing, Zifeng Pi, Zhiqiang Liu, Fengrui Song

Journal: Journal of Separation Science

Abstract Radix Scutellaria is a widely used traditional Chinese medicine in the treatment of various diseases. However, the activities of the absorbed components and metabolites of its main flavones in rat plasma need further investigation. In this study, a systematic method based on ultra‐high performance liquid chromatography with quadruple time‐of‐flight mass spectrometry was developed to speculate the absorbed components and...

Read More thumbnail image: Systematic study on metabolism and activity evaluation of Radix Scutellaria extract in rat plasma using UHPLC with quadrupole timeofflight mass spectrometry and microdialysis intensityfading mass spectrometry

β‐Cyclodextrin polymer@Fe 3 O 4 based magnetic solid‐phase extraction coupled with HPLC for the determination of benzoylurea insecticides from honey, tomato, and environmental water samples

Published: Jan 31, 2018

Author(s): Xinyu Liang, Ruiyang Ma, Lin Hao, Chun Wang, Qiuhua Wu, Zhi Wang

Journal: Journal of Separation Science

Abstract In this work, a magnetic β‐cyclodextrin polymer was successfully prepared and used as an adsorbent for the magnetic solid‐phase extraction of six benzoylurea insecticides (diflubenzuron, triflumuron, hexaflumuron, teflubenzuron, flufenoxuron, and chlorfluazuron) from honey, tomato, and environmental water samples. The influence of the main experimental conditions on the extraction was studied. Under the optimized...

Read More thumbnail image: Cyclodextrin polymerFe 3 O 4 based magnetic solidphase extraction coupled with HPLC for the determination of benzoylurea insecticides from honey tomato and environmental water samples

Coupling colloidal forces with yield stress of charged inorganic particle suspension: A review

Published: Jan 31, 2018

Author(s): Akira Otsuki

Journal: ELECTROPHORESIS

Abstract This paper aims to summarize the series of investigations on coupling suspension yield stress and DLVO (Derjaguin‐Landau‐Verwey‐Overbeek) forces, i.e. van der Waals and electrical double layer forces. This summary provides a better understanding of the basic phenomena associated, historical development and current status of this useful coupling, and also discusses the applicability and limitations/variations of such...

Read More thumbnail image: Coupling colloidal forces with yield stress of charged inorganic particle suspension A review

EDXRF analysis of suspended particulate matter (SPM) from residential and industrial areas in Cairo, Egypt

Published: Jan 30, 2018

Author(s): Abdallah A. Shaltout, Salwa K. Hassan, Andreas G. Karydas, Messaoud Harfouche, Omar H. Abd‐Elkader, Peter Kregsamer, Peter Wobrauschek, Christina Streli

Journal: X-Ray Spectrometry

Due to the remarkable increasing of the mass concentrations of suspended particulate matter (SPM) as an air pollution indicator in Greater Cairo‐Egypt, regular sampling during autumn 2014 and winter 2014/2015 seasons has been performed from industrial and residential areas. It was found that the average mass concentrations of the SPM collected from residential and industrial areas are equal to 531 ± 198 and...

Read More thumbnail image: EDXRF analysis of suspended particulate matter SPM from residential and industrial areas in Cairo Egypt

HPLC‐MS/MS analysis of anthocyanins in human plasma and urine using protein precipitation and dilute‐and‐shoot sample preparation methods, respectively

Published: Jan 30, 2018

Author(s): Junguo Liu, Jiuxue Song, Karen Huang, Deborah Michel, Jim Fang

Journal: Biomedical Chromatography

Abstract A high‐performance liquid chromatography tandem–mass spectrometry (HPLC‐MS/MS) method has been developed to analyze anthocyanins in urine and plasma to further understand their absorption, distribution, metabolism and excretion. The method employed a Synergi RP‐Max column (250 × 4.6 mm, 4 μm) and an API 4000 mass spectrometer. A gradient elution system consisted of mobile phase A (water–1% formic acid) and mobile phase B...

Read More thumbnail image: HPLCMSMS analysis of anthocyanins in human plasma and urine using protein precipitation and diluteandshoot sample preparation methods respectively

Sol–gel niobia sorbent with a positively charged octadecyl ligand providing enhanced enrichment of nucleotides and organophosphorus pesticides in capillary microextraction for online HPLC analysis

Published: Jan 30, 2018

Author(s): Sheshanka Kesani, Abdul Malik

Journal: Journal of Separation Science

Abstract A niobia‐based sol–gel organic–inorganic hybrid sorbent carrying a positively charged C18 ligand (Nb2O5‐C18(+ve)) was synthesized to achieve enhanced enrichment capability in capillary microextraction of organophosphorus compounds (which include organophosphorus pesticides and nucleotides) before their online analysis by high‐performance liquid chromatography. The sorbent was designed to simultaneously provide three different types of...

Read More thumbnail image: Solgel niobia sorbent with a positively charged octadecyl ligand providing enhanced enrichment of nucleotides and organophosphorus pesticides in capillary microextraction for online HPLC analysis

Development of an immunochromatographic strip incorporating anti‐mitragynine monoclonal antibody conjugated to colloidal gold for kratom alkaloids detection

Published: Jan 30, 2018

Author(s): Supattra Limsuwanchote, Waraporn Putalun, Hiroyuki Tanaka, Satoshi Morimoto, Niwat Keawpradub, Juraithip Wungsintaweekul

Journal: Drug Testing and Analysis

Abstract A lateral flow‐based immunochromatographic strip was developed for the rapid detection of mitragynine (MG), a dominant alkaloid found in the leaves of kratom. Monoclonal antibody (mAb) against MG (anti‐MG mAb) was conjugated to colloidal gold and used as a recognition probe. MG‐ovalbumin conjugate (MG‐OVA) and goat anti‐mouse IgG were immobilized on the strip to produce a test zone and control zone, respectively. Based on...

Read More thumbnail image: Development of an immunochromatographic strip incorporating antimitragynine monoclonal antibody conjugated to colloidal gold for kratom alkaloids detection

Phase I metabolism of the recently emerged synthetic cannabinoid CUMYL‐PEGACLONE and detection in human urine samples

Published: Jan 30, 2018

Author(s): Lukas Mogler, Maurice Wilde, Laura M. Huppertz, Georg Weinfurtner, Florian Franz, Volker Auwärter

Journal: Drug Testing and Analysis

Abstract Indole‐, indazole‐, or azaindole‐based synthetic cannabinoids (SCs), bearing a cumyl substituent are a widespread, recreationally used subgroup of new psychoactive substances (NPS). The latest cumyl‐derivative, CUMYL‐PEGACLONE, emerged in December 2016 on the German drug market. The substance features a novel γ‐carboline core structure, which is most likely synthesized to bypass generic legislative approaches to control SCs by...

Read More thumbnail image: Phase I metabolism of the recently emerged synthetic cannabinoid CUMYLPEGACLONE and detection in human urine samples

Increased hyperpolarized [1‐ 13 C] lactate production in a model of joint inflammation is not accompanied by tissue acidosis as assessed using hyperpolarized 13 C‐labelled bicarbonate

Published: Jan 30, 2018

Author(s): Alan J. Wright, Zoé M.A. Husson, De‐En Hu, Gerard Callejo, Kevin M. Brindle, Ewan St. John Smith

Journal: NMR in Biomedicine

Arthritic conditions are a major source of chronic pain. Furthering our understanding of disease mechanisms creates the opportunity to develop more targeted therapeutics. In rheumatoid arthritis (RA), measurements of pH in human synovial fluid suggest that acidosis occurs, but that this is highly variable between individuals. Here we sought to determine if tissue acidosis occurs in a widely used rodent arthritis model: complete Freund's...

Read More thumbnail image: Increased hyperpolarized 1 13 C lactate production in a model of joint inflammation is not accompanied by tissue acidosis as assessed using hyperpolarized 13 Clabelled bicarbonate

Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?

Published: Jan 30, 2018

Author(s): Kunal Roy, Pravin Ambure, Supratik Kar, Probir Kumar Ojha

Journal: Journal of Chemometrics

Abstract Quantitative structure‐activity/property/toxicity relationship (QSAR/QSPR/QSTR) models are effectively employed to fill data gaps by predicting a given response from known structural features or physicochemical properties of new query compounds. The performance of a model should be assessed based on the quality of predictions checked through diverse validation metrics, which confirm the reliability of the developed QSAR...

Read More thumbnail image: Is it possible to improve the quality of predictions from an intelligent use of multiple QSARQSPRQSTR models

Raman spectrum of ethane in methane environment

Published: Jan 30, 2018

Author(s): Dmitry V. Petrov

Journal: Journal of Raman Spectroscopy

Abstract Changes are investigated in the positions, half‐widths, and intensities of the Q‐branches of the main ethane Raman bands (ν3, 2ν6, 2ν2, 2ν8, and ν1) in the methane/ethane mixture depending on methane concentration at the fixed pressure of 25 bar. It was found that with increasing methane fraction, the above‐mentioned ethane Raman bands, with the exception of ν3, are shifted to the high wavenumbers, and the bands of 2ν8/ν1 Fermi doublet...

Read More thumbnail image: Raman spectrum of ethane in methane environment

Surface‐enhanced Raman spectroscopy solution and solid substrates with built‐in calibration for quantitative applications

Published: Jan 30, 2018

Author(s): Si‐Rong Wu, Xiang‐Dong Tian, Si‐Ying Liu, Yun Zhang, Jian‐Feng Li

Journal: Journal of Raman Spectroscopy

Abstract Quantitative analysis is a significant step forward for expanding the applications of surface‐enhanced Raman spectroscopy (SERS) in various fields. The reproducibility of the SERS measurement relies on the quality of the SERS substrates. Therefore, high enhancement SERS substrate with high uniformity and reproducibility is highly demanded for quantitative analysis. However, it remains a challenge to realize all the...

Read More thumbnail image: Surfaceenhanced Raman spectroscopy solution and solid substrates with builtin calibration for quantitative applications

The quality is in the eye of the beholder: The perspective of FTIR and UV resonant Raman spectroscopies on extracted nucleic acids

Published: Jan 30, 2018

Author(s): P. Zucchiatti, K. Latella, G. Birarda, L. Vaccari, B. Rossi, A. Gessini, C. Masciovecchio, F. D'Amico

Journal: Journal of Raman Spectroscopy

Abstract The quality of a sample has always to be considered with respect to its purposes and to the technique used for assessing it. The aim of this work is to point out the most common interfering agents that vibrational spectroscopists may find when analyzing nucleic acids extracted from cellular cultures. Fourier transformed infrared and ultraviolet‐resonant Raman measurements have been carried out on DNA and RNA samples...

Read More thumbnail image: The quality is in the eye of the beholder The perspective of FTIR and UV resonant Raman spectroscopies on extracted nucleic acids

Raman spectroscopic studies across the ferroelectric transition in cobalt substituted dimethyl amine manganese formate

Published: Jan 30, 2018

Author(s): M. Premila, A. Bharathi, R. Rajaraman, Shamima Hussain, P. D. Babu, C. S. Sundar, G. Amarendra

Journal: Journal of Raman Spectroscopy

Abstract Temperature‐dependent Raman studies, across the ferroelectric transition, Tc, in the metal organic framework material, [(CH3)2NH2][Mn(HCOO)3]—DMMn, and its cobalt (Co) doped analogues have been carried out to look for the changes in the lattice and intramolecular modes associated with the orientational ordering of the central dimethyl ammonium cation (DMA+) driven by the hydrogen‐bonded interaction between the DMA cation and the formate anion. A...

Read More thumbnail image: Raman spectroscopic studies across the ferroelectric transition in cobalt substituted dimethyl amine manganese formate

Sequentially shifted excitation: A tool for suppression of laser‐induced fluorescence in mineralogical applications using portable Raman spectrometers

Published: Jan 30, 2018

Author(s): Adam Culka, Jan Jehlička

Journal: Journal of Raman Spectroscopy

Abstract Laser‐induced fluorescence is a phenomenon that can be encountered in the Raman spectra of minerals, and it complicates the acquisition of high quality Raman spectra when using portable instruments. A novel portable Raman spectrometer utilizing sequentially shifted excitation was used for analyses of the minerals anhydrite, apatite, and zircon that frequently exhibit laser‐induced fluorescence, especially when 785 nm...

Read More thumbnail image: Sequentially shifted excitation A tool for suppression of laserinduced fluorescence in mineralogical applications using portable Raman spectrometers

Preparation of β‐cyclodextrin‐gold nanoparticles modified open tubular column for capillary electrochromatographic separation of chiral drugs

Published: Jan 30, 2018

Author(s): Li Zhou, Shenmeng Jiang, Xue Zhang, Linlin Fang, Xingjie Guo

Journal: ELECTROPHORESIS

Abstract In this paper, β‐cyclodextrin (β‐CD) modified gold nanoparticles (AuNPs) coated open tubular column (OT column) was prepared for capillary electrochromatography. The open tubular column was constructed through self‐assembly of gold nanoparticles on 3‐mercaptopropyl‐trimethoxysilane (MPTMS) prederivatized capillary and subsequent modification of thiols β‐cyclodextrin (SH‐β‐CD). Scanning electron microscopy (SEM),...

Read More thumbnail image: Preparation of cyclodextringold nanoparticles modified open tubular column for capillary electrochromatographic separation of chiral drugs

Performance of the Early Access AmpliSeq™ Mitochondrial Panel with degraded DNA samples using the Ion Torrent™ platform

Published: Jan 30, 2018

Author(s): Ka Tak Wai, Mark Barash, Peter Gunn

Journal: ELECTROPHORESIS

Abstract The Early Access AmpliSeq™ Mitochondrial Panel amplifies whole mitochondrial genomes for phylogenetic and kinship identifications, using Ion Torrent™ technology. There is currently limited information on its performance with degraded DNA, a common occurrence in forensic samples. This study evaluated the performance of the Panel with DNA samples degraded in vitro, to mimic conditions commonly found in forensic...

Read More thumbnail image: Performance of the Early Access AmpliSeq Mitochondrial Panel with degraded DNA samples using the Ion Torrent platform
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