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Molecules, Vol. 21, Pages 1266: Identification of Metabolites of 6′-Hydroxy-3,4,5,2′,4′-pentamethoxychalcone in Rats by a Combination of Ultra-High-Performance Liquid Chromatography with Linear Ion Trap-Orbitrap Mass Spectrometry Based on Multiple Data Processing Techniques

22-Sep-2016 | Liu, Siyi ; Che, Yanyun ; Wang, Fei ; Shang, Zhanpeng ; Lu, Jianqiu ; Dai, Shengyun ; Zhang, Jiayu ; Cai, Wei, Molecules, 2016

In this study, an efficient strategy was established using ultra-high-performance liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometry (UHPLC-LTQ-Orbitrap MS) to profile the in vivo metabolic fate of 6′-hydroxy-3,4,5,2′,4′-pentamethoxychalcone (PTC) in rat urine and ...


A New Perspective on Probing the Interaction of Nicotine with Human Serum Albumin

30-Aug-2016 | Liao, Xiaoxiang; Tang, Jianguo; He, Jiawei; Yuan, Dalin; Liang, Bing; Cheng, Qiang; Li, Hui, Current Analytical Chemistry, 2016

Abstract: Background: Nicotine is the main tobacco alkaloid that leads to smoking addiction. Human serum albumin (HSA) is the most abundant protein present in the circulatory system. Nuclear magnetic resonance (NMR) has been widely used for studying the interactions of small molecules with ...


iHEART: a miniaturized near-infrared in-line gas sensor using heart-shaped substrate-integrated hollow waveguides

20-Aug-2016 | Rafael L. Ribessi; Thiago de A. Neves; Jarbas J. R. Rohwedder; Celio Pasquini; Ivo M. Raimundo; Andreas Wilk; Vjekos ..., Analyst, 2016

A novel heart-shaped substrate-integrated hollow waveguide (hiHWG) was integrated with a near-infrared micro-spectrometer (μNIR) for sensing natural gases, resulting in an ultra-compact near-infrared gas sensing system – iHEART. The iHEART system was evaluated using two different μNIR ...


Gradient‐based solvent suppression methods on a benchtop spectrometer

16-Aug-2016 | B. Gouilleux, B. Charrier, S. Akoka, P. Giraudeau; Boris Gouilleux, Benoît Charrier, Serge Akoka, Patrick Giraudeau, Magnetic Resonance in Chemistry, 2016

Benchtop NMR emerges as an appealing alternative to widely extend the scope of NMR spectroscopy in harsh environments and for on‐line monitoring. Obviously, the use of low‐field magnets induces a dramatic reduction of the spectral resolution leading to frequent peak overlaps. This issue is even ...


Critical comparison of mass analyzers for forensic hair analysis by ambient ionization mass spectrometry

16-Aug-2016 | Wilco F. Duvivier, Teris A. Beek, Michel W.F. Nielen, Rapid Communications in Mass Spectrometry, 2016

Abstract Rationale Recently, several direct and/or ambient mass spectrometry (MS) approaches have been suggested for drugs of abuse imaging in hair. The use of mass spectrometers with insufficient selectivity could result in false‐positive measurements due to isobaric interferences. ...


Ultrafast capillary electrophoresis/mass spectrometry of controlled substances with optical isomer separation in about a minute

15-Aug-2016 | Christopher M. Rollman, Mehdi Moini, Rapid Communications in Mass Spectrometry, 2016

Rationale Analysis of forensic evidence by information‐rich technologies such as mass spectrometry (MS) is one of the fastest growing areas in forensic analysis. To provide more accurate identification of forensic evidence, in the past few years there has been a growing interest in moving this ...


Competing fragmentation processes of β‐substituted propanoate ions upon collision induced dissociation

01-Aug-2016 | Luc M. LeBlanc, Sean W. Powers, J. Stuart Grossert, Robert L. White, Rapid Communications in Mass Spectrometry, 2016

Rationale When subjected to collisional activation, gas‐phase carboxylate ions typically undergo decarboxylation. However, alternative fragmentation processes dominate when the carboxylate group is located within certain structural motifs. In this work, the fragmentation processes of ...


Evaluation of the spectral accuracy of mass spectrometers using compounds containing Cl or Br atoms.

01-Aug-2016 | Lourdes Somoano‐Blanco, Melanie Borda, Adriana González Gago, Pablo Rodríguez‐González, J. Ignacio Garcia Alonso, Journal of Mass Spectrometry, 2016

Current procedures for the evaluation of spectral accuracy of mass spectrometers are limited by the lack of certified isotopic reference materials and the high uncertainty in the isotopic composition of natural abundance molecules. The calculated uncertainties in the ratio M + 1/M for natural ...


Open-Source Automated Parahydrogen Hyperpolarizer for Molecular Imaging Using 13C Metabolic Contrast Agents

01-Aug-2016 | Aaron M. Coffey; Roman V. Shchepin; Milton L. Truong; Ken Wilkens; Wellington Pham; Eduard Y. Chekmenev, Analytical Chemistry, 2016

An open-source hyperpolarizer producing 13C hyperpolarized contrast agents using parahydrogen induced polarization (PHIP) for biomedical and other applications is presented. This PHIP hyperpolarizer utilizes an Arduino microcontroller in conjunction with a readily modified graphical user ...


Desktop NMR Spectroscopy for Quality Control of Raw Rubber

28-Jul-2016 | Kawarpal Singh, Bernhard Blümich, Macromolecular Symposia, 2016

Summary Only in very recent times, desktop NMR spectrometers have become available as tools for research and education. We have investigated in how far 1H and 13C NMR spectra acquired at 1 T with a compact NMR spectrometer are suitable for quality control of solutions from raw rubber in the ...


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