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https://www.readbyqxmd.com/read/29166625/ambient-surface-mass-spectrometry-ion-mobility-spectrometry-of-intact-proteins
#1
REVIEW
Rian L Griffiths, Klaudia I Kocurek, Helen J Cooper
Ambient surface mass spectrometry encompasses a broad range of sampling and ionization techniques. To date, only a small subset of these, based on liquid microjunction extraction, have proven suitable for intact protein analysis from thin tissue sections. Liquid extraction surface analysis shows particular promise for this application. Recently, a range of ion mobility spectrometry approaches have been coupled with ambient mass spectrometry. Improvements in signal-to-noise ratios, decreased chemical noise and separation of molecular classes have been described for the analysis of various biological substrates...
November 18, 2017: Current Opinion in Chemical Biology
https://www.readbyqxmd.com/read/29166609/gpr56-adgrg1-inhibits-mesenchymal-differentiation-and-radioresistance-in-glioblastoma
#2
Marta Moreno, Leire Pedrosa, Laia Paré, Estela Pineda, Leire Bejarano, Josefina Martínez, Veerakumar Balasubramaniyan, Ravesanker Ezhilarasan, Naveen Kallarackal, Sung-Hak Kim, Jia Wang, Alessandra Audia, Siobhan Conroy, Mercedes Marin, Teresa Ribalta, Teresa Pujol, Antoni Herreros, Avelina Tortosa, Helena Mira, Marta M Alonso, Candelaria Gómez-Manzano, Francesc Graus, Erik P Sulman, Xianhua Piao, Ichiro Nakano, Aleix Prat, Krishna P Bhat, Núria de la Iglesia
A mesenchymal transition occurs both during the natural evolution of glioblastoma (GBM) and in response to therapy. Here, we report that the adhesion G-protein-coupled receptor, GPR56/ADGRG1, inhibits GBM mesenchymal differentiation and radioresistance. GPR56 is enriched in proneural and classical GBMs and is lost during their transition toward a mesenchymal subtype. GPR56 loss of function promotes mesenchymal differentiation and radioresistance of glioma initiating cells both in vitro and in vivo. Accordingly, a low GPR56-associated signature is prognostic of a poor outcome in GBM patients even within non-G-CIMP GBMs...
November 21, 2017: Cell Reports
https://www.readbyqxmd.com/read/29166600/dopamine-receptor-damb-signals-via-gq-to-mediate-forgetting-in-drosophila
#3
Sophie Himmelreich, Ikuo Masuho, Jacob A Berry, Courtney MacMullen, Nickolas K Skamangas, Kirill A Martemyanov, Ronald L Davis
Prior studies have shown that aversive olfactory memory is acquired by dopamine acting on a specific receptor, dDA1, expressed by mushroom body neurons. Active forgetting is mediated by dopamine acting on another receptor, Damb, expressed by the same neurons. Surprisingly, prior studies have shown that both receptors stimulate cyclic AMP (cAMP) accumulation, presenting an enigma of how mushroom body neurons distinguish between acquisition and forgetting signals. Here, we surveyed the spectrum of G protein coupling of dDA1 and Damb, and we confirmed that both receptors can couple to Gs to stimulate cAMP synthesis...
November 21, 2017: Cell Reports
https://www.readbyqxmd.com/read/29166587/migrating-myeloid-cells-sense-temporal-dynamics-of-chemoattractant-concentrations
#4
Caren E Petrie Aronin, Yun M Zhao, Justine S Yoon, Nicole Y Morgan, Thorsten Prüstel, Ronald N Germain, Martin Meier-Schellersheim
Chemoattractant-mediated recruitment of hematopoietic cells to sites of pathogen growth or tissue damage is critical to host defense and organ homeostasis. Chemotaxis is typically considered to rely on spatial sensing, with cells following concentration gradients as long as these are present. Utilizing a microfluidic approach, we found that stable gradients of intermediate chemokines (CCL19 and CXCL12) failed to promote persistent directional migration of dendritic cells or neutrophils. Instead, rising chemokine concentrations were needed, implying that temporal sensing mechanisms controlled prolonged responses to these ligands...
November 21, 2017: Immunity
https://www.readbyqxmd.com/read/29166564/optical-control-of-dopamine-receptors-using-a-photoswitchable-tethered-inverse-agonist
#5
Prashant Donthamsetti, Nils Winter, Matthias Schönberger, Joshua Levitz, Cherise Stanley, Jonathan A Javitch, Ehud Y Isacoff, Dirk Trauner
Family A G protein-coupled receptors (GPCRs) control diverse biological processes and are of great clinical relevance. Their archetype rhodopsin becomes naturally light sensitive by binding covalently to the photoswitchable tethered ligand (PTL) retinal. Other GPCRs, however, neither bind covalently to ligands nor are light sensitive. We sought to impart the logic of rhodopsin to light-insensitive Family A GPCRs in order to enable their remote control in a receptor-specific, cell-type-specific and spatio-temporally precise manner...
November 22, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29166562/a-lc-hrms-data-processing-strategy-for-reliable-sample-comparison-exemplified-by-the-assessment-of-water-treatment-processes
#6
Tobias Johannes Bader, Wolfgang Schulz, Klaus Kümmerer, Rudi Winzenbacher
The behavior of micropollutants in water treatment is an important aspect in terms of water quality. Non-target screening by liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) offers the opportunity to comprehensively assess water treatment processes by comparing the signal heights of all detectable compounds before and after treatment. Without preselection of known target compounds, all accessible information is used to describe changes across processes and thus serves as a measure for the treatment efficiency...
November 22, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/29166547/chemical-metabolome-assay-by-high-resolution-orbitrap-mass-spectrometry-and-assessment-of-associated-antitumoral-activity-of-actinocephalus-divaricatus
#7
Ana C Zanatta, Angela Mari, Milena Masullo, Iracilda Zeppone Carlos, Wagner Vilegas, Sonia Piacente, Lourdes Campaner Dos Santos
RATIONALE: Actinocephalus divaricatus (Eriocaulaceae) is an important source of income for the rural communities as it is sold as an ornamental plant. To date, no investigation has been conducted concerning the chemical composition and biological studies of the aerial parts of A. divaricatus. METHODS: The methanolic extract of the aerial parts of this species was chemically characterized. We applied an analytical dereplication approach based on Liquid Chromatography coupled to High Resolution Orbitrap Mass Spectrometry in order to develop, identify and define rapidly the metabolite fingerprint of the aerial parts of A...
November 22, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/29166538/antimicrobial-photodynamic-therapy-associated-with-conventional-endodontic-treatment-a-clinical-and-molecular-microbiological-study
#8
Caroline C da Silva, Sérgio P Chaves Júnior, Gabriela L D Pereira, Karla B F C da Fontes, Lívia A A Antunes, Helvécio C C Póvoa, Leonardo S Antunes, Natalia L P Póvoa Iorio
This study evaluated antimicrobial photodynamic therapy (aPDT) as an adjunct to endodontic treatment. Ten uniradicular teeth (control group (CG)= 4 (2 and test group (TG)= 6) with primary endodontic infections, from both genders, between 17 and 65 years old, were analyzed. Microbiological samples were collected before and after chemical-mechanical instrumentation (CMI), after aPDT (for the TG), and after the removal of the temporary restorations (second session). In TG, the aPDT was performed with 100 μg/mL methylene blue and irradiated with low power laser (InGaAIP, 660 nm; 100 mW; 40 sec) with a fiber-coupled optical laser...
November 22, 2017: Photochemistry and Photobiology
https://www.readbyqxmd.com/read/29166227/the-impact-of-attachment-style-on-sexual-satisfaction-and-sexual-desire-in-a-sexually-diverse-sample
#9
Kristen P Mark, Laura M Patrick, Sarah H Murray
Research has indicated that adult romantic attachment is influential and important to sexual and relationship satisfaction. Sexual desire, although not a direct focus of attachment literature, is highly related to sexual and relationship satisfaction, suggesting it may also be impacted by attachment style in romantic couples. However, the research conducted on sexual desire, sexual satisfaction, and attachment has been largely heterocentric, making it difficult to determine whether the findings documented in the literature thus far are relevant in a sexually diverse group of individuals...
November 22, 2017: Journal of Sex & Marital Therapy
https://www.readbyqxmd.com/read/29166178/changes-of-dominant-spoilage-bacteria-and-biogenic-amines-of-taihu-white-prawn-exopalaemon-modestus-during-ice-storage
#10
Lihui Du, Xiaoran Fan, Fang Liu, Qi Zhou, Jian Yuan, Xingrong Ju
The microbiological and chemical changes in Taihu white prawn (Exopalaemon modestus) during ice storage were evaluated. For the microbiological changes, total viable counts were obtained. PCR coupled with denatured gradient gel electrophoresis was then performed to investigate the changes in microflora. For the chemical changes, total volatile basic nitrogen was determined and biogenic amines were detected. The initial total viable count was 6.2 log CFU/g, which increased to 7.1 log CFU/g after storage at 0°C for 10 days...
November 22, 2017: Journal of Food Protection
https://www.readbyqxmd.com/read/29166153/catastrophic-shifts-in-semiarid-vegetation-soil-systems-may-unfold-rapidly-or-slowly
#11
Derek Karssenberg, Marc F P Bierkens, Max Rietkerk
Under gradual change of a driver, complex systems may switch between contrasting stable states. For many ecosystems it is unknown how rapidly such a critical transition unfolds. Here we explore the rate of change during the degradation of a semiarid ecosystem with a model coupling the vegetation and geomorphological system. Two stable states-vegetated and bare-are identified, and it is shown that the change between these states is a critical transition. Surprisingly, the critical transition between the vegetated and bare state can unfold either rapidly over a few years or gradually over decennia up to millennia, depending on parameter values...
December 2017: American Naturalist
https://www.readbyqxmd.com/read/29166123/tunneling-of-coupled-methyl-quantum-rotors-in-4-methylpyridine-single-rotor-potential-versus-coupling-interaction
#12
Somayeh Khazaei, Daniel Sebastiani
We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166116/theoretical-study-of-photodetachment-spectroscopy-of-hydrogenated-boron-cluster-anion-h2b7-and-its-deuterated-isotopomer
#13
Rudraditya Sarkar, S Mahapatra
Photodetachment spectroscopy of H2B7(-) and its deuterated isotopomer probing the energetically low-lying electronic states of the respective neutral cluster is theoretically investigated in this paper. The theoretical methodology is based on detailed quantum chemistry calculations of electronic state energies, construction of a vibronic coupling model in the diabatic electronic basis, and nuclear dynamics calculations from first principles using time-dependent and time-independent quantum mechanical methods...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166113/statistical-mechanics-of-transport-processes-in-active-fluids-equations-of-hydrodynamics
#14
Katherine Klymko, Dibyendu Mandal, Kranthi K Mandadapu
The equations of hydrodynamics including mass, linear momentum, angular momentum, and energy are derived by coarse-graining the microscopic equations of motion for systems consisting of rotary dumbbells driven by internal torques. In deriving the balance of linear momentum, we find that the symmetry of the stress tensor is broken due to the presence of non-zero torques on individual particles. The broken symmetry of the stress tensor induces internal spin in the fluid and leads us to consider the balance of internal angular momentum in addition to the usual moment of momentum...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166106/nodeless-vibrational-amplitudes-and-quantum-nonadiabatic-dynamics-in-the-nested-funnel-for-a-pseudo-jahn-teller-molecule-or-homodimer
#15
William K Peters, Vivek Tiwari, David M Jonas
The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166105/electrode-reactions-in-slowly-relaxing-media
#16
Dmitry V Matyushov, Marshall D Newton
Standard models of reaction kinetics in condensed materials rely on the Boltzmann-Gibbs distribution for the population of reactants at the top of the free energy barrier separating them from the products. While energy dissipation and quantum effects at the barrier top can potentially affect the transmission coefficient entering the rate pre-exponential factor, much stronger dynamical effects on the reaction barrier are caused by the breakdown of ergodicity for populating the reaction barrier (violation of the Boltzmann-Gibbs statistics)...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166093/a-study-of-the-dense-uniform-electron-gas-with-high-orders-of-coupled-cluster
#17
Verena A Neufeld, Alex J W Thom
We investigate the accuracies of different coupled cluster levels in a finite model solid, the 14 electron spin-non-polarised uniform electron gas. For densities between rs = 0.5 a0 and rs = 5 a0, we calculate ground state correlation energies with stochastic coupled cluster ranging from coupled cluster singles and doubles (CCSD) to coupled cluster including all excitations up to quintuples (CCSDTQ5). We find the need to add triple excitations for an accuracy of 0.01 eV/electron beyond rs = 0.5 a0. Quadruple excitations start being significant past rs = 3 a0...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166092/the-influence-of-mesoscopic-confinement-on-the-dynamics-of-imidazolium-based-room-temperature-ionic-liquids-in-polyether-sulfone-membranes
#18
Joseph E Thomaz, Heather E Bailey, Michael D Fayer
The structural dynamics of a series of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (CnmimNTf2, n = 2, 4, 6, 10: ethyl-Emim; butyl-Bmim; hexyl-Hmim; decyl-Dmim) room temperature ionic liquids confined in the pores of polyether sulfone (PES 200) membranes with an average pore size of ∼350 nm and in the bulk liquids were studied. Time correlated single photon counting measurements of the fluorescence of the fluorophore coumarin 153 (C153) were used to observe the time-dependent Stokes shift (solvation dynamics)...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166090/analytical-expression-for-the-tunnel-current-through-the-redox-mediated-tunneling-contact-in-the-case-of-the-adiabatic-electron-transfer-at-one-of-the-working-electrodes-and-any-possible-type-of-the-electron-transfer-at-the-other-electrode
#19
Igor G Medvedev
We study the tunnel current through a one-level redox molecule immersed into the electrolyte solution for the case when the coupling of the molecule to one of the working electrodes is strong while it is arbitrary to the other electrode. Using the Feynman-Vernon influence functional theory and the perturbation expansion of the effective action of the classical oscillator coupled both to the valence level of the redox molecule and to the thermal bath representing the classical fluctuations of the polarization of the solvent, we obtain, following the canonical way, the Langevin equation for the oscillator...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166081/three-sources-of-errors-in-the-ehrenfest-treatment-of-inelastic-scattering-and-possible-ways-of-resolving-them
#20
Alexander Semenov, Dmitri Babikov
In order to identify the origin of possible errors in the mixed quantum/classical approach to inelastic scattering [A. Semenov and D. Babikov, J. Chem. Phys. 140, 044306 (2014) and A. Semenov, M.-L. Dubernet, and D. Babikov, J. Chem. Phys. 141, 114304 (2014)], a simplified model is considered that consists of one intermolecular degree of freedom and two intramolecular states, coupled by a simple potential. For this system, analytic derivations are carried out to determine (i) the exact quantum mechanical solution of the inelastic scattering problem, (ii) a simplified version of it with all oscillatory terms neglected, and (iii) the Ehrenfest solution in which the translational motion is described by the mean-field trajectory while the internal molecular motion is treated by the time-dependent Schrodinger equation...
June 14, 2017: Journal of Chemical Physics
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