EarlyView Articles
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Optimizing FEG‐SEM combined with an SDD EDX system for automated GSR analysis
Published: Aug 10, 2013
Author(s): Elad S. Izraeli, Tsadok Tsach, Nadav Levin
Journal: X-Ray Spectrometry
Gunshot residue (GSR) analysis by scanning electron microscopy/energy dispersive x‐ray spectrometry (SEM/EDX) is routinely performed in forensic science laboratories. At the end of 2011, a field emission gun (FEG)‐SEM was installed at the authors' laboratory for this type of examination. Following the installation of the FEG‐SEM, an extensive process was conducted, in order to determine the optimal operating parameters of this instrument...
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An overview of on‐line systems using drug metabolizing enzymes integrated into capillary electrophoresis
Published: Aug 9, 2013
Author(s): Paweł Nowak, Michał Woźniakiewicz, Paweł Kościelniak
Journal: ELECTROPHORESIS
Enzymatic assays using CE are now among the most noteworthy applications of this analytical technique in pharmacology‐related investigations. Studies of metabolic pathways of new chemical entities mediated by drug metabolizing enzymes are attracting particular attention. Conventional CE‐based enzymatic in vitro assays are generally restricted to the separation of reagents after incubation performed off‐line. EMMA represents an alternative...
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Stereospecific micellar electrokinetic chromatography assay of methionine sulfoxide reductase activity employing a multiple layer coated capillary
Published: Aug 9, 2013
Author(s): Qingfu Zhu, Rabab G. El‐Mergawy, Stefan H. Heinemann, Roland Schönherr, Pavel Jáč, Gerhard K. E. Scriba
Journal: ELECTROPHORESIS
A micellar electrokinetic chromatography method for the analysis of the l‐methionine sulfoxide diastereomers employing a successive multiple ionic‐polymer layer coated fused‐silica capillary was developed and validated in order to investigate the stereospecificity of methionine sulfoxide reductases. The capillary coating consisted of a first layer of hexadimethrine and a second layer of dextran sulfate providing a stable strong cathodic EOF ...
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A proteomic study of spike development inhibition in bread wheat
Published: Aug 9, 2013
Author(s): Yong‐Sheng Zheng, Jun‐Xian Guo, Jin‐Peng Zhang, Ai‐Nong Gao, Xin‐Ming Yang, Xiu‐Quan Li, Wei‐Hua Liu, Li‐Hui Li
Journal: PROTEOMICS
Spike development in wheat is a complicated development process and determines the wheat propagation and survival. We report herein a proteomic study on the bread wheat mutant strain 5660M underlying spike development inhibition. A total of 121 differentially expressed proteins, which were involved in cold stress response, protein folding and assembly, cell‐cycle regulation, scavenging of ROS, and the autonomous pathway were identified...
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An improved workflow for identifying ubiquitin/ubiquitin‐like protein conjugation sites from tandem mass spectra
Published: Aug 9, 2013
Author(s): Changming Xu, Jiyang Zhang, Wei Zhang, Hui Liu, Jianwei Fang, Hongwei Xie
Journal: PROTEOMICS
The identification of ubiquitin (Ub) and Ub‐like protein (Ubl) conjugation sites is important in understanding their roles in biological pathway regulations. However, unambiguously and sensitively identifying Ub/Ubl conjugation sites through high‐throughput MS remains challenging. We introduce an improved workflow for identifying Ub/Ubl conjugation sites based on the ChopNSpice and X!Tandem software. ChopNSpice is modified to generate...
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Application of XPS imaging analysis in understanding interfacial delamination and X‐ray radiation degradation of PMMA
Published: Aug 8, 2013
Author(s): Hong Piao, Neal Fairley, John Walton
Journal: Surface and Interface Analysis
The recent development of X‐ray Photoelectron Spectroscopy (XPS) instrumentation with spatial resolution down to several microns has advanced the capability of elemental and chemical state imaging. XPS imaging analysis has been applied in understanding the delamination problems of siloxane coatings on polymethyl‐methacrylate (PMMA) polymer. It was found that delamination occurred by interfacial failure, and the coating suffered complete...
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Classification of iron‐based inks by means of micro‐Raman spectroscopy and multivariate data analysis
Published: Aug 8, 2013
Author(s): Giovanna Piantanida, Eva Menart, Marina Bicchieri, Matija Strlič
Journal: Journal of Raman Spectroscopy
In this work, multivariate data analysis methods were applied to the analysis and interpretation of micro‐Raman spectra, collected from a broad set of historical iron‐based ink samples, previously characterised for the content of organic acids (gallic acid, ellagic acid and protocatechuic acid). The proposed method relies on principal component analysis of the noisy spectra typically obtained on original, degraded, organic samples, where...
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Clustering of variables in regression analysis: a comparative study between different algorithms
Published: Aug 7, 2013
Author(s): Bahram Hemmateenejad, Sadegh Karimi, Nabiollah Mobaraki
Journal: Journal of Chemometrics
We have recently suggested using clustering of variables (CLoVA) based on unsupervised pattern recognition for partitioning variables into informative and redundant ones. Because data clustering plays a central role in CLoVA, in the present study, we compared the efficiency of different clustering methods including the Kohonen self‐organizing map (SOM), principal component analysis, fuzzy c‐means clustering, K‐means clustering, and...
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Effect of vibration–rotation coupling on simultaneous extraction of temperature and species concentration from vibrational CARS spectra of hot gases
Published: Aug 7, 2013
Author(s): Michele Marrocco
Journal: Journal of Raman Spectroscopy
The coupling between vibration and rotation in light molecules changes the strength of the Raman response. From this standpoint, we consider high‐temperature molecular spectra obtained by means of coherent anti‐Stokes Raman scattering (CARS), whose spectral intensity is useful to extract thermometric information and species concentrations for applications in combustion science. In this context and unlike other studies on the subject that...
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Common versus noble B acillus subtilis differentially responds to air and argon gas plasma
Published: Aug 7, 2013
Author(s): Theresa Winter, Jörg Bernhardt, Jörn Winter, Ulrike Mäder, Rabea Schlüter, Klaus‐Dieter Weltmann, Michael Hecker, Harald Kusch
Journal: PROTEOMICS
The applications of low‐temperature plasma are not only confined to decontamination and sterilization but are also found in the medical field in terms of wound and skin treatment. For the improvement of already established and also for new plasma techniques, in‐depth knowledge on the interactions between plasma and microorganism is essential. In an initial study, the interaction between growing Bacillus subtilis and argon plasma was...
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Identification and characterization of citrulline‐modified brain proteins by combining HCD and CID fragmentation
Published: Aug 7, 2013
Author(s): Zhicheng Jin, Zongming Fu, Jun Yang, Juan Troncosco, Allen D. Everett, Jennifer E. Van Eyk
Journal: PROTEOMICS
Citrullination is a protein PTM of arginine residues catalyzed by peptidylarginine deiminase. Protein citrullination has been detected in the CNS and associated with a number of neurological diseases. However, identifying citrullinated proteins from complex mixtures and pinpointing citrullinated residues have been limited. Using RP LC and high‐resolution MS, this study determined in vitro citrullination sites of glial fibrillary acid...
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Identification and characterization of cow's milk proteins from the rat intestinal lymph using a proteomic strategy
Published: Aug 7, 2013
Author(s): Xundou Li, Lilong Wei, Lulu Jia, Menglin Li, Lisi Zhu, Liu Liu, Youhe Gao
Journal: PROTEOMICS
Food proteins were considered to be absorbed into the body after being digested to amino acids, dipeptides, and tripeptides. However, there are studies indicating that some proteins can pass through the intestinal epithelium under normal physiological conditions, perhaps not in sufficient quantities to be of nutritional importance, but in quantities that may be antigenically or biologically active. In the present study, rat intestinal...
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Comparison of detergent‐based sample preparation workflows for LTQ ‐ O rbitrap analysis of the E scherichia coli proteome
Published: Aug 7, 2013
Author(s): Alessandro Tanca, Grazia Biosa, Daniela Pagnozzi, Maria Filippa Addis, Sergio Uzzau
Journal: PROTEOMICS
This work presents a comparative evaluation of several detergent‐based sample preparation workflows for the MS‐based analysis of bacterial proteomes, performed using the model organism Escherichia coli. Initially, RapiGest‐ and SDS‐based buffers were compared for their protein extraction efficiency and quality of the MS data generated. As a result, SDS performed best in terms of total protein yields and overall number of MS identifications, mainly ...
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Bioinformatic progress and applications in metaproteogenomics for bridging the gap between genomic sequences and metabolic functions in microbial communities
Published: Aug 7, 2013
Author(s): Jana Seifert, Florian‐Alexander Herbst, Per Halkjær Nielsen, Francisco J. Planes, Nico Jehmlich, Manuel Ferrer, Martin Bergen
Journal: PROTEOMICS
Metaproteomics of microbial communities promises to add functional information to the blueprint of genes derived from metagenomics. Right from its beginning, the achievements and developments in metaproteomics were closely interlinked with metagenomics. In addition, the evaluation, visualization, and interpretation of metaproteome data demanded for the developments in bioinformatics. This review will give an overview about recent...
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Genetic algorithm for CoMFA setting optimization: 3D‐QSAR study on α‐aminosuberic acid derivatives as anti‐cancer compounds
Published: Aug 6, 2013
Author(s): S. Ebrahimi, G. Azimi, Y. Akhlaghi, M. Kompany‐Zareh
Journal: Journal of Chemometrics
In most three‐dimensional quantitative structure–activity relationship studies, default SYBYL parameters for comparative molecular field analysis (CoMFA) have been used to derive the models. In this work, a genetic algorithm has been employed for the first time to select the best set of parameters. Three‐dimensional quantitative structure–activity relationship analysis of a set of 33 analogues of α‐aminosuberic acid as a new generation of...
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Optimization of microwave‐assisted extraction for anthocyanins, polyphenols, and antioxidants from raspberry ( R ubus C oreanus M iq.) using response surface methodology
Published: Aug 6, 2013
Author(s): Hui Teng, Won Young Lee, Yong Hee Choi
Journal: Journal of Separation Science
Anthocyanins (Acys), polyphenols, and antioxidants were extracted from raspberry (Rubus Coreanus Miq.) using a highly efficient microwave‐assisted extraction technique. Different solvents, including methanol, ethanol, and acetone, were tested. The colors of the extracts varied from light yellow to purple red or dark red. SEM and other nutrient analyses verified that ethanol was the most favorable medium for the microwave‐assisted extraction of...
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Ultra trace level determinations of acrylamide in surface and drinking water by GC – MS after derivatization with xanthydrol
Published: Aug 6, 2013
Author(s): Hyun‐Hee Lim, Ho‐Sang Shin
Journal: Journal of Separation Science
A sensitive GC–MS method has been established for the determination of acrylamide in surface and drinking water based on derivatization with xanthydrol. Deuterated acrylamide (acrylamide‐d3) was chosen as the internal standard for analyzing the water sample. The derivatization of acrylamide was performed directly in water, and the best reaction conditions (xanthydrol of 1.6 mM, HCl concentration of 0.05 M, reaction for 30 min at ambient ...
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Preparative enantioseparation of propafenone by counter‐current chromatography using di‐ n ‐butyl l ‐tartrate combined with boric acid as the chiral selector
Published: Aug 6, 2013
Author(s): Shengqiang Tong, Mangmang Shen, Ye Zheng, Chu Chu, Xing‐Nuo Li, Jizhong Yan
Journal: Journal of Separation Science
This paper extends the research of the utilization of borate coordination complexes in chiral separation by counter‐current chromatography (CCC). Racemic propafenone was successfully enantioseparated by CCC with di‐n‐butyl l‐tartrate combined with boric acid as the chiral selector. The two‐phase solvent system was composed of chloroform/ 0.05 mol/L acetate buffer pH 3.4 containing 0.10 mol/L boric acid (1:1, v/v), in which 0.10 mol/L di‐n‐butyl...
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A high‐sample‐throughput LC–GC method for mineral oil determination
Published: Aug 6, 2013
Author(s): Laura Barp, Giorgia Purcaro, Sabrina Moret, Lanfranco S. Conte
Journal: Journal of Separation Science
The present investigation deals with a method improvement to increase data throughput and reduce solvent consumption for both saturated and aromatic mineral oil hydrocarbon determination using a coupled liquid–gas chromatographic system. The starting point of this work was the method proposed by Biedermann, Fiselier, and Grob in 2009. A total time and solvent reduction of 34 and 23%, respectively, was obtained by speeding up the GC run...
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Detection of small interfering RNA (siRNA) by mass spectrometry procedures in doping controls
Published: Aug 5, 2013
Author(s): Andreas Thomas, Katja Walpurgis, Philippe Delahaut, Maxie Kohler, Wilhelm Schänzer, Mario Thevis
Journal: Drug Testing and Analysis
Uncovering manipulation of athletic performance via small interfering (si)RNA is an emerging field in sports drug testing. Due to the potential to principally knock down every target gene in the organism by means of the RNA interference pathway, this facet of gene doping has become a realistic scenario. In the present study, two distinct model siRNAs comprising 21 nucleotides were designed as double strands which were perfect counterparts...
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