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Mass spectra

Thanh D Do, Joseph F Ellis, Elizabeth K Neumann, Troy J Comi, Emily G Tillmaand, Ashley E Lenhart, Stanislav S Rubakhin, Jonathan Sweedler
The mammalian dorsal root ganglia (DRG) are located on the dorsal roots of the spinal nerves and contain cell bodies of primary sensory neurons. DRG cells have been classified into subpopulations based on their size, morphology, intracellular markers, response to stimuli, and neuropeptides. To understand the connections between DRG chemical heterogeneity and cellular function, we performed optically guided, high-throughput single cell profiling using sequential matrix-assisted laser desorption/ionization mass spectrometry (MS) to detect lipids, peptides, and several proteins in individual DRG cells...
March 15, 2018: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Jun-Hwan Park, Hoi-Seon Lee
The insecticidal toxicities of essential oils and other active components extracted from Eucalyptus dives leaves (as well as structural analogues) were studied against stored-product insects, Plodia interpunctella and Tribolium castaneum. 3-Carvomenthenone was purified from E. dives oil, and the structures were elucidated by electron ionization mass spectra,1 H-nuclear magnetic resonance (NMR),13 C-NMR, heteronuclear multiple quantum coherence,1 H-1 H correlation spectroscopy, and distortionless enhancement by polarization transfer NMR...
March 15, 2018: Journal of Food Protection
Melissa P Woodard, Scott T Akin, Collin J Dibble, Michael A Duncan
Ultra-small chromium oxide nanoclusters produced by laser vaporization in a fast flowtube reactor are ligand-coated by gas phase reactions with acetonitrile vapor and then captured in a cold trap and transferred to solution. The resulting clusters are characterized with mass spectrometry, UV-visible absorption and emission, infrared spectroscopy, and surface-enhanced Raman spectroscopy (SERS). According to mass spectrometry, clusters of the form CrxOy(MeCN)z are produced in the size range of x  10 and y < 25...
March 15, 2018: Journal of Physical Chemistry. A
M R Kholghy, G A Kelesidis, S E Pratsinis
Nucleation is an important, yet poorly understood step in soot formation. Here, the importance of reactive PAH dimerization in reducing soot nucleation reversibility is investigated by simulating soot formation in a so-called "nucleation" flame (P. Desgroux et al., Combust. Flame, 2017, 184, 153-166). There, inception of soot particles is prolonged at minimal subsequent growth. With only reversible PAH dimerization, the simulated soot concentration is negligible. Accounting however for PAH chemical bond formation after physical dimerization, stabilizes dimers by covalent bonds and increases the soot concentration by four orders of magnitude, in good agreement with Laser Induced Incandescence measurements...
March 15, 2018: Physical Chemistry Chemical Physics: PCCP
Manjunath Siddaramaiah, BolaSadashiva Satish Rao, Manjunath B Joshi, Anirbit Datta, S Sandya, Vasudha Vishnumurthy, Subhash Chandra, Subramanya G Nayak, Kapaettu Satyamoorthy, Krishna Kishore Mahato
In the present study, we have designed a laser induced fluorescence (LIF) based instrumentation and developed a sensitive methodology for the effective separation, visualization, identification and analysis of proteins on a single platform. In this method, intrinsic fluorescence spectra of proteins were detected after separation on one or two dimensional Sodium Dodecyl Sulfate-Tris(2-carboxyethyl)phosphine (SDS-TCEP) polyacrylamide gel electrophoresis (PAGE) and the data were analyzed. The MATLAB assisted software was designed for the development of PAGE fingerprint for the visualization of protein after one and two-dimensional protein separation...
March 14, 2018: Journal of Biophotonics
Gustavo A Garcia, Bérenger Gans, Julia Krüger, Fabian Holzmeier, Anja Röder, Allan Lopes, Christa Fittschen, Christian Alcaraz, Jean-Christophe Loison
We present the photoelectron spectra of C3 Hx (x = 0-3) formed in a microwave discharge flow-tube reactor by consecutive H abstractions from C3 H4 (C3 Hx + F → C3 Hx-1 + HF (x = 1-4)), but also from F + CH4 schemes by secondary reactions. The spectra were obtained combining tunable VUV synchrotron radiation with double imaging electron/ion coincidence techniques, yielding mass-selected threshold photoelectron spectra. The obtained results complement not only existing ones, but for the first time the photoelectron spectra of C3 , cyclic and linear C3 H (c,l-C3 H) as well as of the excited states of C3 H3 are reported...
March 14, 2018: Physical Chemistry Chemical Physics: PCCP
Charity G Owings, Christine Skaggs, Winyu Sheriff, Nicholas Manicke, Christine J Picard
Filth flies are commonly implicated in pathogen transmission routes due to their affinity for vertebrate waste and their synanthropic associations. However, solidifying the link between flies and infected feces in the wild can be difficult, as interpretations made solely from microbial culturing or sequencing methods may represent an incomplete picture of pathogen acquisition. We present an analytical assay using high performance liquid chromatography tandem mass spectrometry (HPLC MS/MS) to detect vertebrate fecal metabolites (urobilinoids) in adult blow fly guts...
March 9, 2018: Environmental Entomology
Hsin-Yao Wang, Tzong-Yi Lee, Yi-Ju Tseng, Tsui-Ping Liu, Kai-Yao Huang, Yung-Ta Chang, Chun-Hsien Chen, Jang-Jih Lu
Methicillin-resistant Staphylococcus aureus (MRSA), one of the most important clinical pathogens, conducts an increasing number of morbidity and mortality in the world. Rapid and accurate strain typing of bacteria would facilitate epidemiological investigation and infection control in near real time. Matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) mass spectrometry is a rapid and cost-effective tool for presumptive strain typing. To develop robust method for strain typing based on MALDI-TOF spectrum, machine learning (ML) is a promising algorithm for the construction of predictive model...
2018: PloS One
Bo Zhang, Mouzhe Xie, Lei Bruschweiler-Li, Rafael Brüschweiler
Understanding and harnessing the interactions between nanoparticles and biological molecules is at the forefront of applications of nanotechnology to modern biology. Metabolomics has emerged as a prominent player in systems biology as a complement to genomics, transcriptomics and proteomics. Its focus is the systematic study of metabolite identities and concentration changes in living systems. Despite significant progress over the recent past, important challenges in metabolomics remain, such as the deconvolution of the spectra of complex mixtures with strong overlaps, the sensitive detection of metabolites at low abundance, unambiguous identification of known metabolites, structure determination of unknown metabolites and standardized sample preparation for quantitative comparisons...
March 13, 2018: Metabolites
Celia Munck, Elsa Thierry, Sarah Gräßle, Si Hui Chen, Adeline Su Yien Ting
The isolate Coriolopsis sp. (1c3) was cultured on muslin cloth to induce formation of filamentous biofilm. The biofilm and the free-mycelium forms (control) were then used to treat two triphenylmethane dyes; Cotton Blue (CB) and Crystal Violet (CV). The biofilm comprised primarily of a compact mass of mycelium while sparse mycelium network was detected in free-mycelium forms. Results revealed significant decolourization activities by filamentous biofilm of 1c3 for CB (79.6%) and CV (85.1%), compared to free-mycelium forms (72...
March 10, 2018: Journal of Environmental Management
Hui Wang, Bin Fang, Le Zhou, Di Li, Lin Kong, Kajsa Uvdal, Zhangjun Hu
A two-photon active probe for physiological copper (Cu2+ ) detection is expected to play an important role in monitoring biological metabolism. Herein, a novel Schiff base derivative (E)-2,2'-((4-((4-(diethylamino)-2-hydroxybenzylidene)amino)phenyl)azanediyl)bis(ethan-1-ol) (L) with remarkable two-photon activity was developed and synthetically investigated. L presents high selectivity and sensitivity for Cu2+ sensing in ethanol/HEPES buffer (v/v, 1 : 1), which is accompanied by the fluorescence switching "off" and subsequently "on" with the addition of EDTA...
March 13, 2018: Organic & Biomolecular Chemistry
Jiuming He, Luojiao Huang, Runtao Tian, Tiegang Li, Chenglong Sun, Xiaowei Song, Yiwei Lv, Zhigang Luo, Xin Li, Zeper Abliz
Mass spectrometry imaging (MSI) has become a powerful tool to probe molecule events in biological tissue. However, it is a widely held viewpoint that one of the biggest challenges is an easy-to-use data processing software for discovering the underlying biological information from complicated and huge MSI dataset. Here, a user-friendly and full-featured MSI software including three subsystems, Solution, Visualization and Intelligence, named MassImager, is developed focusing on interactive visualization, in-situ biomarker discovery and artificial intelligent pathological diagnosis...
July 26, 2018: Analytica Chimica Acta
Şule Yılmaz, Genet A Shiferaw, Josep Rayo, Anastassios Economou, Lennart Martens, Elien Vandermarliere
Chemical cross-linking analyzed by mass spectrometry (XL-MS) has become an important tool in unravelling protein structure, dynamics, and complex formation. Because the analysis of cross-linked proteins with mass spectrometry results in specific computational challenges, many computational tools have been developed to identify cross-linked peptides from mass spectra and subsequently interpret the identified cross-links within their structural context. In this review, we will provide an overview of the different tools that are currently available to tackle the computational part of an XL-MS experiment...
March 12, 2018: Mass Spectrometry Reviews
Jessica M Skeie, Benjamin T Aldrich, Andrew S Goldstein, Gregory A Schmidt, Cynthia R Reed, Mark A Greiner
The objective of this study was to characterize the proteome of the corneal endothelial cell layer and its basement membrane (Descemet membrane) in humans with various severities of type II diabetes mellitus compared to controls, and identify differentially expressed proteins across a range of diabetic disease severities that may influence corneal endothelial cell health. Endothelium-Descemet membrane complex tissues were peeled from transplant suitable donor corneas. Protein fractions were isolated from each sample and subjected to multidimensional liquid chromatography and tandem mass spectrometry...
2018: PloS One
Jiangang Yu, Xingwen Zhang, Dong Wang, Ping Li
In this work, the biochar adsorbent carboxymethyl cellulose (CMC), was prepared from the pyrolysis (600 °C, 120 min) of chicken manure for the removal of methyl orange (MO) from aqueous solution, and its physicochemical properties were characterized by scanning electron microscopy (SEM) and Fourier transform infrared spectra (FTIR). The experimental parameters including agitation speed, initial solution pH, biochar dosage and contact time on the adsorption properties of MO from aqueous solution onto CMC were investigated in batch experiments...
March 2018: Water Science and Technology: a Journal of the International Association on Water Pollution Research
Yaroslav I Derikov, Georgiy A Shandryuk, Raisa V Talroze, Alexander A Ezhov, Yaroslav V Kudryavtsev
A fast route to transfer Au nanoparticles from aqueous to organic media is proposed based on the use of a high molecular mass diblock copolymer of styrene and 2-vinylpyridine for ligand exchange at the nanoparticle surface. The method enables the preparation of stable sols of Au nanorods with sizes of up to tens of nanometers or Au nanospheres in various organic solvents. By comparing the optical absorbance spectra of Au hydro- and organosols with the data of numerical simulations of the surface plasmon resonance, we find that nanoparticles do not aggregate and confirm the transmission electron microscopy data regarding their shape and size...
2018: Beilstein Journal of Nanotechnology
Ariel Fontana, Isaac Rodríguez, Rafael Cela
The suitability of dispersive liquid-liquid microextraction (DLLME) and gas chromatography accurate mass spectrometry (GC-MS), based on a time-of-flight (TOF) MS analyzer and using electron ionization (EI), for the characterization of volatile and semi-volatile profiles of grape marc distillates (grappa) are evaluated. DLLME conditions are optimized with a selection of compounds, from different chemical families, present in the distillate spirit. Under final working conditions, 2.5 mL of sample and 0.5 mL of organic solvents are consumed in the sample preparation process...
March 3, 2018: Journal of Chromatography. A
Tamar Shamai Yamin, Hagit Prihed, Avital Shifrovitch, Shai Dagan, Avi Weissberg
A novel analytical technique for the structural elucidation of compounds bearing a tertiary amine side chain via "in vial" instantaneous oxidation and liquid chromatography-mass spectrometry (LC-MS) was developed. A series of lidocaine homologues and benzimidazole derivatives with a major/single amine-representative base peak in both their EI-MS and ESI-MS/MS spectra were subjected to oxidation by a 0.1% solution of hydrogen peroxide )including several16 O/18 O exchange experiments(, followed by LC-ESI-MS/MS analysis...
March 9, 2018: Journal of Mass Spectrometry: JMS
Ségolène De Vaugelade, Edith Nicol, Svetlana Vujovic, Sophie Bourcier, Stéphane Pirnay, Stéphane Bouchonnet
RATIONALE: The present work is devoted to the structural elucidation of by-products issued from the direct UV-visible irradiation of dehydroacetic acid (DHA) in solution and in cosmetic emulsion. METHODS: Analyses were carried out using a gas chromatography coupled with an ion trap mass spectrometer and by a high performance liquid chromatography coupled with ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (LC-UHRMS). The potential toxicities of by-products were estimated by in silico calculations based on a QSAR (Quantitative Structure-Activity Relationship) approach and by in vitro bioassays conducted on Vibrio fischeri bacteria...
March 8, 2018: Rapid Communications in Mass Spectrometry: RCM
Pavel Kubáček, Lubomír Prokeš, Annapurna Pamreddy, Eladia María Peña-Méndez, José Elias Conde, Milan Alberti, Josef Havel
RATIONALE: Only a few arsenic phosphides are known. High potential for the generation of new compounds is offered by Laser Ablation Synthesis (LAS) and when Laser Desorption Ionisation (LDI) is coupled with simultaneous Time of Flight Mass Spectrometry (TOFMS), immediate identification of the clusters can be achieved. METHODS: LAS was used for the generation of arsenic phosphides via laser ablation of phosphorus-arsenic mixtures while quadrupole ion trap time-of-flight mass spectrometry (QIT-TOFMS) was used to acquire the mass spectra...
March 8, 2018: Rapid Communications in Mass Spectrometry: RCM
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