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Spectroscopic characterization of adsorbate confined in small mesopores: Distinction of first surface‐adsorbed layer, polymolecular layers, and liquid clusters

Published: Oct 1, 2018

Author(s): Vladimir G. Arakcheev, Alexey N. Bekin, Viacheslav B. Morozov

Journal: Journal of Raman Spectroscopy

Abstract Coherent anti‐Stokes Raman scattering is applied to distinguish dense phases of carbon dioxide adsorbed in mesoporous glass Vycor with pores of 2 nm in radius. Each of the phases is identified by their Raman shifts corresponding to the CO2 band at 1388 cm−1. The results show that the first layer adsorbed on the pore wall and the polymolecular layers adsorbed upon it can be spectroscopically distinguished from each other....

Read More thumbnail image: Spectroscopic characterization of adsorbate confined in small mesopores Distinction of first surfaceadsorbed layer polymolecular layers and liquid clusters

Updated protocols for the detection of Sotatercept and Luspatercept in human serum

Published: Oct 1, 2018

Author(s): Christian Reichel, Günter Gmeiner, Katja Walpurgis, Mario Thevis

Journal: Drug Testing and Analysis

Abstract We recently published two protocols for the detection of Sotatercept (ACE‐011, ACVR2A‐Fc) and Luspatercept (ACE‐536, ACVR2B‐Fc) in human serum. Both methods used covalently immobilized antibodies on agarose beads for immunoprecipitation and SAR‐PAGE/Western blotting for detection. Disadvantages were the relatively high amount of antibody required per sample (10 μg) and the need of a secondary antibody for the final...

Read More thumbnail image: Updated protocols for the detection of Sotatercept and Luspatercept in human serum

Synthesis and pharmacology of new psychoactive substance 5F‐CUMYL‐P7AICA, a scaffold‐ hopping analog of synthetic cannabinoid receptor agonists 5F‐CUMYL‐PICA and 5F‐CUMYL‐PINACA

Published: Oct 1, 2018

Author(s): Samuel D. Banister, Axel Adams, Richard C. Kevin, Christa Macdonald, Michelle Glass, Rochelle Boyd, Mark Connor, Iain S. McGregor, Christopher M. Havel, Stephen J. Bright, Mireia Ventura Vilamala, Cristina Gil Lladanosa, Monica J. Barratt, Roy R. Gerona

Journal: Drug Testing and Analysis

Abstract Synthetic cannabinoid receptor agonists (SCRAs) are a dynamic class of new psychoactive substances (NPS), with novel chemotypes emerging each year. Following the putative detection of 5F‐CUMYL‐P7AICA in Australia in 2016, the scaffold‐hopping SCRAs 5F‐CUMYL‐PICA, 5F‐CUMYL‐PINACA, and 5F‐CUMYL‐P7AICA were synthesized and characterized by nuclear magnetic resonance (NMR) spectroscopy, gas chromatography–mass spectrometry...

Read More thumbnail image: Synthesis and pharmacology of new psychoactive substance 5FCUMYLP7AICA a scaffold hopping analog of synthetic cannabinoid receptor agonists 5FCUMYLPICA and 5FCUMYLPINACA

Sample and feature augmentation strategies for calibration updating

Published: Oct 1, 2018

Author(s): Erik Andries, John H. Kalivas, Anit Gurung

Journal: Journal of Chemometrics

Calibration updating—transfer and/or maintenance—has historically been implemented using a simple but effective technique: in addition to primary samples, include a small number of secondary samples and weight them. It would be beneficial if these classical weighting techniques could be enhanced. Moreover, it would be ideal if we could only use secondary spectra without reference measurements. In this paper, we examine multiple...

Read More thumbnail image: Sample and feature augmentation strategies for calibration updating

Methods and approaches for determination and enantioseparation of ( RS )‐propranolol

Published: Sep 30, 2018

Author(s): Sonika Batra, Ravi Bhushan

Journal: Biomedical Chromatography

Abstract Propranolol, a β‐adrenergic receptor antagonist, is a chiral compound that is marketed as a racemate, but only the (S)‐(−)‐enantiomer is responsible for the β‐adrenoceptor blocking activity. Different chromatographic methods have been applied for separation and determination of enantiomers of (RS)‐propranolol. In this article a review is presented on different liquid chromatographic methods used for enantioseparation of...

Read More thumbnail image: Methods and approaches for determination and enantioseparation of  RS propranolol

Interactions of phenethylamine‐derived psychoactive substances of the 2C‐series with human monoamine oxidases

Published: Sep 28, 2018

Author(s): Lea Wagmann, Simon D. Brandt, Alexander Stratford, Hans H. Maurer, Markus R. Meyer

Journal: Drug Testing and Analysis

Abstract Psychoactive substances of the 2C‐series (2Cs) are phenethylamine‐derived designer drugs that can induce psychostimulant and hallucinogenic effects. Chemically, the classic 2Cs contain two methoxy groups in positions 2 and 5 of the phenyl ring, whereas substances of the so‐called FLY series contain rigidified methoxy groups integrated in a 2,3,6,7‐tetrahydrobenzo[1,2‐b:4,5‐b’]difuran core. One of the pharmacological...

Read More thumbnail image: Interactions of phenethylaminederived psychoactive substances of the 2Cseries with human monoamine oxidases

Postharvest metabolomic changes in Pyrus ussuriensis Maxim. wild accession ‘Zaoshu Shanli’

Published: Sep 28, 2018

Author(s): Jiayu Xu, Ying Zhang, Dan Qi, Hongliang Huo, Xingguang Dong, Luming Tian, Xiaoshuang Zhang, Chao Liu, Yufen Cao

Journal: Journal of Separation Science

Abstract There are strong economic drivers for understanding the process of fruit post‐harvest softening. In this study, liquid chromatography with electrospray ionization tandem mass spectrometry was used to analyze metabolite changes in ‘Zaoshu Shanli’ fruit after different storage periods; this wild accession of Pyrus ussuriensis presents good fruit quality and relatively low flesh firmness after fruit storage. The lipid metabolites in...

Read More thumbnail image: Postharvest metabolomic changes in Pyrus ussuriensis Maxim_ wild accession Zaoshu Shanli

MaSS‐Simulator: A Highly Configurable Simulator for Generating MS/MS Datasets for Benchmarking of Proteomics Algorithms

Published: Sep 28, 2018

Author(s): Muaaz Gul Awan, Fahad Saeed

Journal: PROTEOMICS

Abstract Mass Spectrometry (MS)‐based proteomics has become an essential tool in the study of proteins. With the advent of modern MS machines huge amounts of data is being generated, which can only be processed by novel algorithmic tools. However, in the absence of data benchmarks and ground truth datasets algorithmic integrity testing and reproducibility is a challenging problem. To this end, MaSS‐Simulator has been presented,...

Read More thumbnail image: MaSSSimulator A Highly Configurable Simulator for Generating MSMS Datasets for Benchmarking of Proteomics Algorithms

Sample preparation for the analysis of fire debris – Past and present

Published: Sep 28, 2018

Author(s): Tanya J. Kerr

Journal: Journal of Separation Science

Abstract Identification of ignitable liquids from fire debris is such a major part of an arson investigation that much time and effort has gone into advancing sample preparation techniques to capture complicated and unexpected hydrocarbon compounds. Advancements in sample preparation have been made in order to account for biodegradation of commonly used accelerants, rarely encountered compounds, such as vegetable oils, biodiesel,...

Read More thumbnail image: Sample preparation for the analysis of fire debris  Past and present

Dielectric relaxation spectroscopy of aqueous micellar electrolyte solutions: A novel application to infer Dukhin number and zeta potential of a micelle

Published: Sep 28, 2018

Author(s): Mahmoud Khademi, Dominik P. J. Barz

Journal: ELECTROPHORESIS

Abstract The complex permittivities of aqueous SDS solutions, with and without the addition of sodium chloride (NaCl), are measured in the frequency range from 200 MHz to 14 GHz. The SDS concentrations are chosen such that the SDS molecules aggregate to micelles. In this frequency range, the measured spectra allow for the identification of two different relaxation processes. That is, the relaxation of the water molecules at...

Read More thumbnail image: Dielectric relaxation spectroscopy of aqueous micellar electrolyte solutions A novel application to infer Dukhin number and zeta potential of a micelle

Enhancing intravoxel incoherent motion parameter mapping in the brain using kb PCA

Published: Sep 28, 2018

Author(s): Georg R. Spinner, Johannes F.M. Schmidt, Constantin Deuster, Christian Federau, Christian T. Stoeck, Sebastian Kozerke

Journal: NMR in Biomedicine

Intravoxel incoherent motion (IVIM) imaging of diffusion and perfusion parameters in the brain using parallel imaging suffers from local noise amplification. To address the issue, signal correlations in space and along the diffusion encoding dimension are exploited jointly using a constrained image reconstruction approach. IVIM imaging was performed on a clinical 3 T MR system with diffusion weighting along six gradient directions...

Read More thumbnail image: Enhancing intravoxel incoherent motion parameter mapping in the brain using k  b PCA

Analytical feasibility of a solvent‐assisted flavour evaporation method for aroma analyses in bread crumb

Published: Sep 27, 2018

Author(s): Joana Pico, Fernanda Oduber, Manuel Gómez, José Bernal

Journal: Journal of Separation Science

Abstract The analysis of bread aroma is essential in order to evaluate its quality as well as to improve it. The use of different methodologies for the analysis of volatile compounds lead to varying results. In the present study, the matrix effect, extraction efficiency, limits of detection and quantification as well as the precision of a proposed solvent‐assisted flavour evaporation methodology were evaluated for the first time and...

Read More thumbnail image: Analytical feasibility of a solventassisted flavour evaporation method for aroma analyses in bread crumb

Open source capillary electrophoresis

Published: Sep 27, 2018

Author(s): Petr Kubáň, František Foret, Guillaume Erny

Journal: ELECTROPHORESIS

Abstract Open source paradigm is becoming widely accepted in scientific communities and open source hardware is finding its steady place in chemistry research. In this review article, we provide the reader with the most up‐to‐date information on open source hardware and software resources enabling the construction and utilization of an “open source capillary electrophoresis instrument”. While CE is still underused as a separation...

Read More thumbnail image: Open source capillary electrophoresis

Localization of double‐bond positions in lipids by tandem mass spectrometry succeeding high‐performance liquid chromatography with post‐column derivatization

Published: Sep 27, 2018

Author(s): Viola Jeck, Ansgar Korf, Christian Vosse, Heiko Hayen

Journal: Rapid Communications in Mass Spectrometry

Rationale Lipids are a group of biomolecules known for their importance in a broad variety of biological tasks, which is attributed to the diversity of their molecular structures. The exact position of the double bond in a lipid affects its biological properties. Therefore, the determination of its position is highly important. Nevertheless, the unambiguous assignment is still a challenging task and requires...

Read More thumbnail image: Localization of doublebond positions in lipids by tandem mass spectrometry succeeding highperformance liquid chromatography with postcolumn derivatization

Connectomic imaging reveals Huntington‐related pathological and pharmaceutical effects in a mouse model

Published: Sep 27, 2018

Author(s): Wei‐Tang Chang, Fiftarina Puspitasari, Marta Garcia‐Miralles, Ling Yun Yeow, Hui‐Chien Tay, Katrianne Bethia Koh, Liang Juin Tan, Mahmoud A. Pouladi, Kai‐Hsiang Chuang

Journal: NMR in Biomedicine

Recent studies suggest that neurodegenerative diseases could affect brain structure and function in disease‐specific network patterns; however, how spontaneous activity affects structural covariance network (SC) is not clear. We hypothesized that hyper‐excitability in Huntington disease (HD) disrupts the coordinated structural and functional connectivity, and treatment with memantine helps to reduce excitotoxicity and normalize the...

Read More thumbnail image: Connectomic imaging reveals Huntingtonrelated pathological and pharmaceutical effects in a mouse model

A tetrad apparatus for protein gel casting, electrophoresis, staining, and scanning techniques with dual sensors for automatic detection of gel polymerization and protein migration

Published: Sep 27, 2018

Author(s): Praveen Maurye, Arpita Basu, Malay Naskar, Tapas Kumar Bandyopadhyay, Jayanta Kumar Biswas

Journal: ELECTROPHORESIS

Abstract Recent advancements in biochemical sciences have facilitated researchers to explore the structure and function of macro molecules in a cell. PAGE is one of the most favored and adapted laboratory techniques. Due to its simple and economical procedures, several variants or new modifications are routinely observed in the basic electrophoresis technique that comprises gel casting, electrophoresis, staining, and imaging process...

Read More thumbnail image: A tetrad apparatus for protein gel casting electrophoresis staining and scanning techniques with dual sensors for automatic detection of gel polymerization and protein migration

Bioinformatic removal of NUMT‐associated variants in mitotiling next‐generation sequencing data from whole blood samples

Published: Sep 27, 2018

Author(s): Joseph David Ring, Kimberly Sturk‐Andreaggi, Michelle Alyse Peck, Charla Marshall

Journal: ELECTROPHORESIS

Abstract Nuclear mitochondrial DNA segments (NUMTs) have arisen because of the transposition of segments of the mitochondrial DNA genome (mitogenome) into the nuclear genome. When using a “mitotiling” strategy, NUMTs may be more readily amplified when targeting the entire mitogenome compared to the control region, as hundreds of primers are required for complete sequencing coverage. In samples with a high percentage of nuclear DNA...

Read More thumbnail image: Bioinformatic removal of NUMTassociated variants in mitotiling nextgeneration sequencing data from whole blood samples

Development and validation of an LC–MS/MS method for the determination of DPHB in rat plasma and its application in pharmacokinetic studies

Published: Sep 26, 2018

Author(s): Qi Wen, Hai‐Long Li, Feng Chen, Jing‐Wen Gong, Wei‐Wei Guan, Nai‐Guang Fu, Yin‐Feng Tan

Journal: Biomedical Chromatography

Abstract The aim of the present study was to develop a rapid, specific and sensitive LC–MS/MS method for the determination of DPHB [7‐(4″‐hydroxy‐3″‐methoxyphenyl)‐1‐phenyl‐4‐hepten‐3‐one] in rat plasma using yakuchinone A as an internal standard (IS). n‐Hexane was used for the extraction of DPHB from rat plasma. Chromatographic separation of DPHB was achieved using a Kinetex XB‐C18 column (2.10 × 50 mm, 2.6 μm) at 40°C. The mobile...

Read More thumbnail image: Development and validation of an LCMSMS method for the determination of DPHB in rat plasma and its application in pharmacokinetic studies

Simultaneous determination of tiopronin and its primary metabolite in plasma and ocular tissues by HPLC

Published: Sep 26, 2018

Author(s): Justin Beltz, Annalise Pfaff, Nuran Ercal

Journal: Biomedical Chromatography

Abstract Tiopronin, formally 2‐mercaptopropionylglycine (MPG), is currently prescribed to treat cystinuria and rheumatoid arthritis, and its antioxidant properties have led to its investigation as a treatment for cataracts, a condition in which oxidative stress is strongly implicated. To study its accumulation in the eye, a reliable, isocratic HPLC method was developed for the determination of MPG and its primary metabolite...

Read More thumbnail image: Simultaneous determination of tiopronin and its primary metabolite in plasma and ocular tissues by HPLC

Stability of reagents used for chiral amino acid analysis during spaceflight missions in high‐radiation environments

Published: Sep 26, 2018

Author(s): Jessica S. Creamer, Maria F. Mora, Peter A. Willis

Journal: ELECTROPHORESIS

Abstract The search for biosignatures on spaceflight missions requires in situ instrumentation capable of highly selective and sensitive organic analyses. To this end, CE–LIF is a uniquely promising technique, capable of determining the type, abundance, and chirality of amino acids present in environmental samples at nanomolar concentrations. However, this type of assay requires several reagents that have not yet been used on...

Read More thumbnail image: Stability of reagents used for chiral amino acid analysis during spaceflight missions in highradiation environments
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