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Conformational Characterization and Classification of Intrinsically Disordered Proteins by Native Mass Spectrometry and Charge‐State Distribution Analysis

Published: Nov 30, 2018

Author(s): Carlo Santambrogio, Antonino Natalello, Stefania Brocca, Erika Ponzini, Rita Grandori

Journal: PROTEOMICS

Abstract Intrinsically disordered proteins (IDPs) are systematically under‐represented in structural proteomics studies. Their structural characterization implies description of the dynamic conformational ensembles populated by these polymers in solution, posing major challenges to biophysical methods. “Native” MS (native‐MS) has emerged as a central tool in this field, conjugating the unique MS analytical power with structurally...

Read More thumbnail image: Conformational Characterization and Classification of Intrinsically Disordered Proteins by Native Mass Spectrometry and ChargeState Distribution Analysis

Structural, magnetic, and morphological study of cosputtered FeAl thin film grown in nonreactive environment

Published: Nov 29, 2018

Author(s): Ranjeet Brajpuriya, Sandeep Rajan, Snehal Jani, Anupam Vyas

Journal: Surface and Interface Analysis

Fe‐Al alloying is a matter of interest because of its technological importance and many applications. Different growth conditions may lead to different results, ie, formation of various phases. These phases may be magnetic or nonmagnetic in nature. Cosputtering of Fe and Al with magnetron‐sputtering setup provides us with a good option of alloying and to study the various phase formations. As, yet now researchers studied the alloying through cosputtering process only in oxygen environment, so...

Read More thumbnail image: Structural magnetic and morphological study of cosputtered FeAl thin film grown in nonreactive environment

The understanding of solid electrolyte interface (SEI) formation and mechanism as the effect of flouro‐o‐phenylenedimaleimaide (F‐MI) additive on lithium‐ion battery

Published: Nov 29, 2018

Author(s): Nur Laila Hamidah, Fu Ming Wang, Gunawan Nugroho

Journal: Surface and Interface Analysis

Solid electrolyte interface (SEI) is a critical factor that influences battery performance. SEI layer is formed by the decomposition of organic and inorganic compounds after the first cycle. This study investigates SEI formation as a product of electrolyte decomposition by the presence of flouro‐o‐phenylenedimaleimaide (F‐MI) additive. The presence of fluorine on the maleimide‐based additive can increase storage capacity and reversible discharge capacity due to high electronegativity and high...

Read More thumbnail image: The understanding of solid electrolyte interface SEI formation and mechanism as the effect of flouroophenylenedimaleimaide FMI additive on lithiumion battery

Analytical considerations for (un)‐targeted metabolomic studies with special focus on forensic applications

Published: Nov 28, 2018

Author(s): Martina I. Boxler, Tom D. Schneider, Thomas Kraemer, Andrea E. Steuer

Journal: Drug Testing and Analysis

Abstract Over the past few years, the interest in metabolomics has increased in various fields including forensic toxicology. Forensic analysis typically requires a high degree of accuracy, which is often a problem in metabolomics applications. We aimed for a systematic evaluation of different analytical considerations of a metabolomics workflow allowing a targeted approach within an untargeted setup. Samples with 69 metabolites from different chemical classes were qualitatively and...

Read More thumbnail image: Analytical considerations for untargeted metabolomic studies with special focus on forensic applications

Raman spectra in LiH2PO4 and KLi(H2PO4)2: Mode assignment

Published: Nov 28, 2018

Author(s): Rawdha Dekhili, Thomas H. Kauffmann, Hassen Aroui, Marc D. Fontana

Journal: Journal of Raman Spectroscopy

Abstract We report and analyze Raman spectra recorded on crystals of LiH2PO4 (LDP) and KLi(H2PO4)2 (KLDP). We provide a new and complete assignment of Raman lines in both crystals from their behavior as function of temperature. Among internal vibrations, we discern the modes within PO4 tetrahedra, the modes related to LiO bonds, and those due to the OH vibrations. In the wavenumber range between 300 and 600 cm−1, the lines associated with OPO or LiO show different temperature...

Read More thumbnail image: Raman spectra in LiH2PO4 and KLiH2PO42 Mode assignment

Evaluation of endogenous urinary biomarkers for indirect detection of urine adulteration attempts by five different chemical adulterants in mass spectrometry methods

Published: Nov 28, 2018

Author(s): Andrea E. Steuer, Dominique Kamber, Thomas Kraemer

Journal: Drug Testing and Analysis

Abstract Reliable detection of urine adulteration attempts to circumvent positive drug testing represents a critical step for laboratories in abstinence control settings. An ideal workflow for high‐throughput testing would involve simultaneous detection of adulteration attempts in the same run with drug detection. Monitoring of degraded or oxidized endogenous urinary compounds as indirect markers has been previously evaluated for that purpose exemplified for the adulterant potassium nitrite...

Read More thumbnail image: Evaluation of endogenous urinary biomarkers for indirect detection of urine adulteration attempts by five different chemical adulterants in mass spectrometry methods

Corrigendum

Published: Nov 28, 2018

Author(s):

Journal: Journal of Raman Spectroscopy

Read More thumbnail image: Corrigendum

Phase transitions and critical phenomena of tiny grains carbon films synthesized in microwave‐based vapor deposition system

Published: Nov 28, 2018

Author(s): Mubarak Ali, I‐Nan Lin

Journal: Surface and Interface Analysis

Different peak trends of tiny grains carbon film have been observed under the investigations of the Raman spectroscopy and energy loss spectroscopy. Carbon films known in nanocrystalline and ultrananocrystalline diamond films are synthesized by employing microwave‐based vapor deposition system. Carbon atoms exhibit several state behaviors depending on the incurred positions of their electrons. Different morphology of tiny grains under...

Read More thumbnail image: Phase transitions and critical phenomena of tiny grains carbon films synthesized in microwavebased vapor deposition system

Mechanical characterization of polymethyl methacrylate composites reinforced with surface‐coated carbon fibers

Published: Nov 28, 2018

Author(s): Huang Yijun

Journal: Surface and Interface Analysis

Using trihydroxy polyether polyol (PPG), diphenylmethane diisocyanate (MDI) as soft segment and hard segment, carbon fiber (CF) as reinforcement, and self‐crosslinking CF/polymethyl methacrylate (PMMA) composite was prepared by prepolymer method. In this study, starch and octanoyl chloride were esterified to obtain esterified starch (SE). The fiber is then melt blended with PMMA matrix to prepare PMMA composite. Fourier‐transform infrared...

Read More thumbnail image: Mechanical characterization of polymethyl methacrylate composites reinforced with surfacecoated carbon fibers

Bone quality assessment of osteogenic cell cultures by Raman microscopy

Published: Nov 28, 2018

Author(s): Gurjit S. Mandair, Pieter Steenhuis, Michael A. Ignelzi, Michael D. Morris

Journal: Journal of Raman Spectroscopy

Abstract The use of autologous stem/progenitor cells represents a promising approach to the repair of craniofacial bone defects. The calvarium is recognized as a viable source of stem/progenitor cells that can be transplanted in vitro to form bone. However, it is unclear if bone formed in cell culture is similar in quality to that found in native bone. In this study, the quality of bone mineral formed in osteogenic cell cultures were compared against calvarial bone from postnatal mice. Given...

Read More thumbnail image: Bone quality assessment of osteogenic cell cultures by Raman microscopy

Development of a fluvoxamine detection system using a Quenchbody, a novel fluorescent biosensor

Published: Nov 26, 2018

Author(s): Ako Sasao, Michiyo Takaki, Hee‐Jin Jeong, Kosei Yonemitsu, Yuki Ohtsu, Hiroshi Tsutsumi, Shota Furukawa, Hiroshi Morioka, Hiroshi Ueda, Yoko Nishitani

Journal: Drug Testing and Analysis

Abstract The misuse of psychotropic drugs intended for medical treatment represents a recent worldwide public health concern. Quenchbody (Q‐body) is a novel fluoroimmunosensor that can detect an antigen immediately without additional reagents or washing steps. Here, we describe creating Q‐bodies for the detection of the antidepressant fluvoxamine (FLV) and determining optimal conditions to achieve the highest fluorescence intensity...

Read More thumbnail image: Development of a fluvoxamine detection system using a Quenchbody a novel fluorescent biosensor

Development of an ultra‐high performance liquid chromatography–tandem mass spectrometry method for the determination of anabolic steroids currently available on the black market in the Czech Republic and Slovakia

Published: Nov 26, 2018

Author(s): Barbora Tircova, Zuzana Bosakova, Petr Kozlik

Journal: Drug Testing and Analysis

Abstract Over the past decade, the use of anabolic androgenic steroids (AAS) by recreational bodybuilders and regular gym members has been increasing exponentially. However, there is a lack of knowledge on AAS products sold in the Czech Republic and Slovakia. The aim of this study was to assess the quantity of active substances in AAS products obtained from AAS users in the Czech Republic and Slovakia. In addition, the study also...

Read More thumbnail image: Development of an ultrahigh performance liquid chromatographytandem mass spectrometry method for the determination of anabolic steroids currently available on the black market in the Czech Republic and Slovakia

Microfluidic electrochemical immunosensor for the trace analysis of cocaine in water and body fluids

Published: Nov 26, 2018

Author(s): Nahla A. Abdelshafi, Jérémy Bell, Knut Rurack, Rudolf J. Schneider

Journal: Drug Testing and Analysis

Abstract Quick but accurate testing and on‐the‐spot monitoring of cocaine in oral fluids and urine continues to be an important toxicological issue. In terms of drug testing, a number of devices have been introduced into the market in recent decades, notably for workplace inspection or roadside testing. However, these systems do not always fulfill the requirements in terms of reliability, especially when low cut‐off levels are required. With respect to surface water, the presence of...

Read More thumbnail image: Microfluidic electrochemical immunosensor for the trace analysis of cocaine in water and body fluids

Cytomorphology‐based microchip with contour extraction processing for bioparticle analysis

Published: Nov 26, 2018

Author(s): Yusheng Fu, Hong Ji

Journal: ELECTROPHORESIS

Abstract In this paper, we demonstrated an integrated digital image processing framework that is training‐free for high throughput beads or biological cells detection and enumeration by the bead aggregation splitting algorithm. By making contour extraction processing, the aggregated beads can be clearly split for precise counting. It can be potentially embedded on‐chip in a miniaturized medical equipment to automatically adjust illumination condition and de‐noise. This study demonstrates that...

Read More thumbnail image: Cytomorphologybased microchip with contour extraction processing for bioparticle analysis

Probing carbohydrate metabolism using hyperpolarized 13C‐labeled molecules

Published: Nov 26, 2018

Author(s): Jaspal Singh, Eul Hyun Suh, Gaurav Sharma, Chalermchai Khemtong, A. Dean Sherry, Zoltan Kovacs

Journal: NMR in Biomedicine

Glycolysis is a fundamental metabolic process in all organisms. Anomalies in glucose metabolism are linked to various pathological conditions. In particular, elevated aerobic glycolysis is a characteristic feature of rapidly growing cells. Glycolysis and the closely related pentose phosphate pathway can be monitored in real time by hyperpolarized 13C‐labeled metabolic substrates such as 13C‐enriched, deuterated D‐glucose derivatives, [2‐13C]‐D‐fructose, [2‐13C] dihydroxyacetone,...

Read More thumbnail image: Probing carbohydrate metabolism using hyperpolarized 13Clabeled molecules

Discovery and Validation of Clinical Biomarkers of Cancer: A Review Combining Metabolomics and Proteomics

Published: Nov 26, 2018

Author(s): Anubhav Srivastava, Darren John Creek

Journal: PROTEOMICS

Abstract Early detection and diagnosis of cancer can allow timely medical intervention, which greatly improves chances of survival and enhances quality of life. Biomarkers play an important role in assisting clinicians and health care providers in cancer diagnosis and treatment follow‐up. In spite of years of research and the discovery of thousands of candidate cancer biomarkers, only a few have transitioned to routine usage in the clinic. This review highlights advances in proteomics...

Read More thumbnail image: Discovery and Validation of Clinical Biomarkers of Cancer A Review Combining Metabolomics and Proteomics

Two dimensional sinusoidal Ag nanograting exhibits polarization‐independent surface‐enhanced Raman spectroscopy and its surface plasmon polariton and localized surface plasmon coupling with Au nanospheres colloids

Published: Nov 26, 2018

Author(s): Cheng Xiao, Zhibin Chen, Mengze Qin, Dongxiao Zhang, Hao Wu

Journal: Journal of Raman Spectroscopy

Abstract A reproducible surface‐enhanced Raman scattering (SERS) substrate based on two dimensional (2D) sinusoidal Ag nanograting is presented. This SERS substrate with large area can be easily fabricated by maskless laser interference photolithography. The potential SERS polarization‐independent performance of 2D sinusoidal Ag nanograting is deduced by finite difference time domain and demonstrated by SERS detection experiments. A...

Read More thumbnail image: Two dimensional sinusoidal Ag nanograting exhibits polarizationindependent surfaceenhanced Raman spectroscopy and its surface plasmon polariton and localized surface plasmon coupling with Au nanospheres colloids

Development of a sensitive untargeted liquid chromatography–high resolution mass spectrometry screening devoted to hair analysis through a shared MS2 spectra database: A step toward early detection of new psychoactive substances

Published: Nov 25, 2018

Author(s): Nicolas Fabresse, Islam Amine Larabi, Tim Stratton, Robert Mistrik, Gregory Pfau, Geoffroy Lorin de la Grandmaison, Isabelle Etting, Stanislas Grassin Delyle, Jean‐Claude Alvarez

Journal: Drug Testing and Analysis

Abstract Untargeted liquid chromatography–high resolution mass spectrometry (LC–HRMS) techniques have become indispensable tools for systematic toxicological analysis. They allow the research of an almost unlimited number of drugs within a single analytical cycle, but shared mass spectra libraries are still missing to identify newly marketed compounds, along with defined analytical procedures. This article describes the...

Read More thumbnail image: Development of a sensitive untargeted liquid chromatographyhigh resolution mass spectrometry screening devoted to hair analysis through a shared MS2 spectra database A step toward early detection of new psychoactive substances

Glycoproteomic markers of hepatocellular carcinoma‐mass spectrometry based approaches

Published: Nov 25, 2018

Author(s): Jianhui Zhu, Elisa Warner, Neehar D. Parikh, David M. Lubman

Journal: Mass Spectrometry Reviews

Hepatocellular carcinoma (HCC) is the third most‐common cause of cancer‐related death worldwide. Most cases of HCC develop in patients that already have liver cirrhosis and have been recommended for surveillance for an early onset of HCC. Cirrhosis is the final common pathway for several etiologies of liver disease, including hepatitis B and C, alcohol, and increasingly non‐alcoholic fatty liver disease. Only 20–30%...

Read More thumbnail image: Glycoproteomic markers of hepatocellular carcinomamass spectrometry based approaches

Methionine329 in human serum albumin: A novel target for alkylation by sulfur mustard

Published: Nov 23, 2018

Author(s): Markus Siegert, Felix Gandor, Andreas Kranawetvogl, Hans Börner, Horst Thiermann, Harald John

Journal: Drug Testing and Analysis

Abstract Exposure to the vesicant sulfur mustard (SM) may lead to erythema and blistering. Toxicity of SM is hypothesized due to the alkylation of DNA bases and nucleophilic amino acid side chains in proteins (adducts) by forming the hydroxyethylthioethyl (HETE) moiety. Despite its prohibition by the chemical weapons convention, SM still represents a serious threat to military personnel and civilians. Therefore, development and improvement of forensic analytical methods for the verification of...

Read More thumbnail image: Methionine329 in human serum albumin A novel target for alkylation by sulfur mustard
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