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Over‐discretized SENSE reconstruction and B 0 correction for accelerated non‐lipid‐suppressed 1 H FID MRSI of the human brain at 9.4 T

Published: Oct 18, 2018

Author(s): Sahar Nassirpour, Paul Chang, Thomas Kirchner, Anke Henning

Journal: NMR in Biomedicine

The aim of this work was to use post‐processing methods to improve the data quality of metabolite maps acquired on the human brain at 9.4 T with accelerated acquisition schemes. This was accomplished by combining an improved sensitivity encoding (SENSE) reconstruction with a B0 correction of spatially over‐discretized magnetic resonance spectroscopic imaging (MRSI) data. Since MRSI scans suffer from long scan...

Read More thumbnail image: Overdiscretized SENSE reconstruction and B 0 correction for accelerated nonlipidsuppressed 1 H FID MRSI of the human brain at 9_4 T

Ratiometric NOE(−1.6) contrast in brain tumors

Published: Oct 18, 2018

Author(s): Zhongliang Zu

Journal: NMR in Biomedicine

Recently, a new nuclear Overhauser enhancement (NOE)‐mediated saturation transfer effect at around −1.6 ppm from water, termed NOE(−1.6), was reported to show hypointense signals in brain tumors. Similar to chemical exchange saturation transfer or magnetization transfer (MT) effects, which depend on the solute pool concentration, the exchange/coupling rate, the solute transverse relaxation rate, etc., the NOE(−1.6) effect should also...

Read More thumbnail image: Ratiometric NOE1_6 contrast in brain tumors

Preparation and adhesive properties of colored Ti/Zr‐based conversion coating on aluminum foil for lithium battery packaging

Published: Oct 18, 2018

Author(s): Yingying Gu, Songnan Wang, Shiai Xu

Journal: Surface and Interface Analysis

In this study, an aluminum (Al) foil used for lithium ion battery packaging film was treated with titanium (Ti)/zirconium (Zr) solution containing hexafluorotitanic acid and hexafluorozirconic acid using tannic acid as a colorant and metavanadate as an accelerator, respectively, and a golden conversion coating was successfully deposited on the surface of Al foil. The morphology and composition of the coating were characterized by scanning...

Read More thumbnail image: Preparation and adhesive properties of colored TiZrbased conversion coating on aluminum foil for lithium battery packaging

Proteomic fingerprinting of apple fruit, juice, and cider via combinatorial peptide ligand libraries and MS analysis

Published: Oct 18, 2018

Author(s): María Jesús Lerma‐García, Maria Nicoletti, Ernesto Francisco Simó‐Alfonso, Pier Giorgio Righetti, Elisa Fasoli

Journal: ELECTROPHORESIS

Abstract Combinatorial peptide ligand libraries coupled to MS was applied to extensively map the proteome of apple fruit, and to detect its presence in commercial apple juice and cider to evaluate their authenticity and genuineness. Using the Uniprot_Malus database, 96 proteins were detected in apples, among which 30 proteins were specifically captured via combinatorial peptide ligand libraries. Next, three proteins, previously recognized in...

Read More thumbnail image: Proteomic fingerprinting of apple fruit juice and cider via combinatorial peptide ligand libraries and MS analysis

Plasmon‐enhanced inelastic scattering by 2 D and 3 D superlattices made of silver nanocrystals

Published: Oct 18, 2018

Author(s): Alexa Courty, Maxime Bayle, Robert Carles

Journal: Journal of Raman Spectroscopy

Abstract The lattice dynamics of natural crystals, artificial superlattices, or self‐organized nanocrystals intimately mix confinement, coupling, periodicity, and dissipative effects. The low wavenumber vibrational response of the new class of nanomaterials called “supercrystals” does contain relevant information concerning finite size effects on atomic movements inside each nanocrystal, mechanical coupling between adjacent...

Read More thumbnail image: Plasmonenhanced inelastic scattering by 2 D and 3 D superlattices made of silver nanocrystals

Identification of new psychoactive substances ( NPS ) by Raman spectroscopy

Published: Oct 18, 2018

Author(s): Jone Omar, Boleslaw Slowikowski, Claude Guillou, Fabiano Reniero, Margaret Holland, Ana Boix

Journal: Journal of Raman Spectroscopy

Abstract There is an increasing need of developing methods for fast recognition and identification of new psychoactive substances (NPS). The chemical identification of these new substances produced with the intention of mimicking the effects of controlled drugs is a challenge for forensic and Customs laboratories. In this study, we aim to test the potential of Raman spectroscopy for the identification and classification of seized...

Read More thumbnail image: Identification of new psychoactive substances  NPS  by Raman spectroscopy

Probing the origin of dihydrofolate reductase inhibition via proteochemometric modeling

Published: Oct 18, 2018

Author(s): Safoura Hariri, Jahan B. Ghasemi, Farhad Shirini, Behnam Rasti

Journal: Journal of Chemometrics

Abstract Dihydrofolate reductase (DHFR) is an essential enzyme in the folate metabolism pathway and an important target of antineoplastic, antimicrobial, antiprotozoal, and antiinflammatory drugs. Despite the clinical effectiveness of current antifolate treatments, new drugs are needed to be designed due to developing resistance of this enzyme through multiple‐site mutagenesis. Understanding the factors affecting the ligand binding...

Read More thumbnail image: Probing the origin of dihydrofolate reductase inhibition via proteochemometric modeling

Cocaine adulteration with the anthelminthic tetramisole (levamisole/dexamisole): Long‐term monitoring of its intake by chiral LC–MS/MS analysis of cocaine‐positive hair samples

Published: Oct 17, 2018

Author(s): Milena M. Madry, Thomas Kraemer, Markus R. Baumgartner

Journal: Drug Testing and Analysis

Abstract Recent studies indicate that not only the anthelminthic levamisole but also the racemate tetramisole (R‐/S‐phenyltetraimidazothiazole, PTHIT) was found as an adulterant for cocaine. We herein report on the investigation of the prevalence of PTHIT among cocaine‐positive hair samples and the discrimination of the presence of its stereoisomers levamisole and dexamisole. Cocaine‐positive hair samples were collected in a forensic context in...

Read More thumbnail image: Cocaine adulteration with the anthelminthic tetramisole levamisoledexamisole Longterm monitoring of its intake by chiral LCMSMS analysis of cocainepositive hair samples

Semi‐quantitative determination of designer steroids by high‐performance liquid chromatography with ultraviolet detection in the absence of reference material

Published: Oct 17, 2018

Author(s): Sarah E. Voelker, Lisa M. Lorenz, Jonathan J. Litzau

Journal: Drug Testing and Analysis

Abstract New designer steroids are continually being encountered in dietary supplements that claim to increase muscle mass, but quantitative analysis of such ingredients is challenging due to the availability, quality, or cost of commercial reference materials. Although standard reference material typically becomes available for these emerging compounds, laboratories often face the challenge of finding properly certified materials...

Read More thumbnail image: Semiquantitative determination of designer steroids by highperformance liquid chromatography with ultraviolet detection in the absence of reference material

Identification of the anabolic steroid 6β‐chlorotestosterone in a dietary supplement

Published: Oct 17, 2018

Author(s): Travis M. Falconer, Rick A. Flurer, Mary B. Jones, Lisa M. Lorenz, Sarah E. Voelker

Journal: Drug Testing and Analysis

Abstract Capsules that were labeled to be performance‐enhancing dietary supplements obtained during an investigation were found to contain an unrecognized steroid‐like substance. This compound was isolated by liquid chromatography (LC) fraction collection and characterized using several qualitative analytical techniques, including ultraviolet (UV) spectroscopy, gas chromatography–mass spectrometry (GC–MS), liquid chromatography‐high...

Read More thumbnail image: Identification of the anabolic steroid 6chlorotestosterone in a dietary supplement

Lomerizine, trimetazidine and bis‐(4‐fluorophenyl)‐methylpiperazine in human urine after oral administration of lomerizine dihydrochloride: analysis by liquid chromatography‐high resolution‐tandem mass spectrometry

Published: Oct 17, 2018

Author(s): Masato Okano, Mitsuhiko Sato, Shinji Kageyama

Journal: Drug Testing and Analysis

Abstract In sports drugs testing, the differentiation between the abuse of the prohibited substance trimetazidine and that of the permitted drug lomerizine is required because trimetazidine is one of the metabolites of lomerizine. Therefore, it is important to identify a lomerizine‐specific metabolite in urine that allows making the distinction. In this study, a simple dilute‐and‐shoot method employing liquid chromatography–high...

Read More thumbnail image: Lomerizine trimetazidine and bis4fluorophenylmethylpiperazine in human urine after oral administration of lomerizine dihydrochloride analysis by liquid chromatographyhigh resolutiontandem mass spectrometry

Effects of Centella asiatica extract on antioxidant status and liver metabolome of rotenone‐treated rats using GC–MS

Published: Oct 17, 2018

Author(s): Thidarat Intararuchikul, Narudol Teerapattarakan, Ratchanee Rodsiri, Mayuree Tantisira, Gert Wohlgemuth, Oliver Fiehn, Rossarin Tansawat

Journal: Biomedical Chromatography

Abstract Centella asiatica has been used as a culinary vegetable or medicinal herb. In this study, the hepatoprotective effect of the standardized extract of C. asiatica (ECa233) in rotenone‐treated rats was examined using a GC–MS‐based metabolomic approach. ECa233 contains >80% triterpenoids with a ratio of madecassoside to asiaticoside of 1.5(±0.5):1. Rats were randomly divided into three groups (with six rats/group): sham...

Read More thumbnail image: Effects of Centella asiatica extract on antioxidant status and liver metabolome of rotenonetreated rats using GCMS

Ultra‐performance liquid chromatography tandem mass spectrometry for the rapid, simultaneous analysis of ziprasidone and its impurities

Published: Oct 17, 2018

Author(s): Marija Čarapić, Katarina Nikolic, Bojan Marković, Miloš Petković, Milena Pavlovic, Danica Agbaba

Journal: Biomedical Chromatography

Abstract The separation and characterization of the unknown degradation product of second‐generation antipsychotic drug ziprasidone are essential for defining the genotoxic potential of the compound. The aim of this study was to develop a simple UHPLC method coupled with tandem mass spectrometry (MS/MS) for chemical characterization of an unknown degradant, and the separation and quantification of ziprasidone and its five main...

Read More thumbnail image: Ultraperformance liquid chromatography tandem mass spectrometry for the rapid simultaneous analysis of ziprasidone and its impurities

Multi‐component profiles through the blood–brain barrier in rat after oral administration of over‐the‐counter drug Keke capsule by ultra‐performance liquid chromatography/quadrupole‐ time‐of‐flight MS E method

Published: Oct 17, 2018

Author(s): Pengfei Xu, Yonggui Song, Bingwei Feng, Qiang Zeng, Baixi Shan, Kuangyi Liu, Dan Su

Journal: Biomedical Chromatography

Abstract Keke capsule as a traditional Chinese medicine formulation is used to relieve cough, for analgesia and to reduce bronchial asthma. The multi‐components are absorbed into the blood and brain after oral administration of Keke capsule, with no systematic investigation so far. A reliable and rapid UPLC–QTOF–MSE combined with a data processing software platform was used to characterize the components of Keke capsule and simultaneously ...

Read More thumbnail image: Multicomponent profiles through the bloodbrain barrier in rat after oral administration of overthecounter drug Keke capsule by ultraperformance liquid chromatographyquadrupole timeofflight MS E method

Residual detection of naproxen, methyltestosterone and 17 α ‐hydroxyprogesterone caproate in aquatic products by simple liquid–liquid extraction method coupled with liquid chromatography–tandem mass spectrometry

Published: Oct 17, 2018

Author(s): Weijia Zheng, Kyung‐Hee Yoo, Jeong‐Min Choi, Da‐Hee Park, Seong‐Kwan Kim, Young‐Sun Kang, A. M. Abd El‐Aty, Ahmet Hacımüftüoğlu, Jing Wang, Jae‐Han Shim, Ho‐Chul Shin

Journal: Biomedical Chromatography

Abstract In the present study, we aimed to develop a reliable screening method based on liquid chromatography coupled with tandem mass spectrometry (LC–MS/MS) for the detection and quantification of naproxen, methyltestosterone and 17α‐hydroxyprogesterone caproate residues. The target analytes were extracted from samples of eel, flatfish and shrimp using acetonitrile with 1% acetic acid, followed by liquid–liquid purification with n‐hexane....

Read More thumbnail image: Residual detection of naproxen methyltestosterone and 17  hydroxyprogesterone caproate in aquatic products by simple liquidliquid extraction method coupled with liquid chromatographytandem mass spectrometry

A new validated HPLC method for the determination of levodopa: Application to study the impact of ketogenic diet on the pharmacokinetics of levodopa in Parkinson's participants

Published: Oct 17, 2018

Author(s): Fawzy Elbarbry, Van Nguyen, Alar Mirka, Heather Zwickey, Richard Rosenbaum

Journal: Biomedical Chromatography

Abstract A simple, accurate, and reproducible HPLC‐UV method has been developed and validated for the quantification of levodopa (l‐Dopa) in human plasma. The method involves a simple protein precipitation procedure to extract both l‐Dopa and methyldopa, the internal standard. The chromatographic analysis was achieved on a Shimadzu LC 20A HPLC system equipped with a Zorbax Eclipse XDB C18 column and an isocratic mobile phase consisting of 20 mm KH2PO4...

Read More thumbnail image: A new validated HPLC method for the determination of levodopa Application to study the impact of ketogenic diet on the pharmacokinetics of levodopa in Parkinsons participants

Dielectrophoretic manipulation of nanomaterials: A review

Published: Oct 17, 2018

Author(s): Linbo Liu, Ke Chen, Nan Xiang, Zhonghua Ni

Journal: ELECTROPHORESIS

Abstract Nanomaterials manipulation using dielectrophoresis (DEP) is one of the major research areas that could potentially benefit the micro/nano science for diverse applications, such as microfluidics, nanomachine, and biosensor. The innovation and development of basic theories, methods or applications will have a huge impact on the entire related field. Specifically, for DEP manipulation of nanomaterials, improvements in...

Read More thumbnail image: Dielectrophoretic manipulation of nanomaterials A review

Metabolic profiling of listeria rhombencephalitis in small ruminants by 1 H high‐resolution magic angle spinning NMR spectroscopy

Published: Oct 17, 2018

Author(s): Christina Precht, Gaëlle Diserens, Martina Vermathen, Anna Oevermann, Josiane Lauper, Peter Vermathen

Journal: NMR in Biomedicine

Listeria rhombencephalitis is caused by infection with Listeria monocytogenes and is associated with a high mortality rate in humans and ruminants. Little is known about the metabolic changes associated with neurolisteriosis in particular and infectious central nervous system (CNS) diseases in general. The purpose of our study was to investigate the metabolic changes associated with listeria rhombencephalitis in small ruminants (goats and sheep) as ...

Read More thumbnail image: Metabolic profiling of listeria rhombencephalitis in small ruminants by 1 H highresolution magic angle spinning NMR spectroscopy

Fault detection method based on principal component difference associated with DPCA

Published: Oct 17, 2018

Author(s): Cheng Zhang, Qingxiu Guo, Yuan Li

Journal: Journal of Chemometrics

Abstract Aiming at the fault detection in a dynamic process with nonlinear or multimodal features, a new fault detection strategy based on principal component difference associated with dynamic PCA (Diff‐DPCA) is proposed in this paper. First, augment the training data set using the time lag, and then obtain an augmented training data set. Second, find the K‐nearest neighbor set of each sample in the augmented training set and...

Read More thumbnail image: Fault detection method based on principal component difference associated with DPCA

A general gas‐assisted three‐liquid‐phase extraction method for separation and concentration of puerarin, 3′‐methoxydaidzin, puerarinxyloside, daidzin and daidzein from puerariae extract

Published: Oct 16, 2018

Author(s): Weilun Hu, Qian Shao, Xingjun Xi, Qiao Chu, Tao Lan, Fenfang Che, Yuanyuan Liu, Yanzhen Lu, Yun Wei

Journal: Biomedical Chromatography

Abstract In this work, a general and novel separation technique gas‐assisted three‐liquid‐phase extraction was established and applied in separating and concentrating isoflavonoids from the actual sample of puerariae extract by one step. For the gas‐assisted three‐liquid‐phase extraction method, optimal conditions were selected: polyethylene glycol 2000 and ethyl acetate as the flotation solvent, pH 5, (NH4)2SO4 concentration...

Read More thumbnail image: A general gasassisted threeliquidphase extraction method for separation and concentration of puerarin 3methoxydaidzin puerarinxyloside daidzin and daidzein from puerariae extract
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