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https://www.readbyqxmd.com/read/28547725/dual-polarity-ion-trap-mass-spectrometry-dynamic-monitoring-and-controlling-gas-phase-ion-ion-reactions
#1
Muyi He, You Jiang, Dan Guo, Xingchuang Xiong, Xiang Fang, Wei Xu
A dual-polarity linear ion trap (LIT) mass spectrometer was developed in this study, and the method for simultaneously controlling and detecting cations and anions was proposed and realized in the LIT. With the application of an additional dipolar DC field on the ejection electrodes of an LIT, dual-polarity mass spectra could be obtained, which include both the mass-to-charge (m/z) ratio and charge polarity information of an ion. Compared with conventional method, the ion ejection and detection efficiency could also be improved by about one-fold...
May 25, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28546429/structural-studies-unravel-the-active-conformation-of-apo-ror%C3%AE-t-nuclear-receptor-and-a-common-inverse-agonism-of-two-diverse-classes-of-ror%C3%AE-t-inhibitors
#2
Xiang Li, Marie Anderson, Delphine Collin, Ingo Muegge, John Wan, Debra Brennan, Stanley Kugler, Donna Terenzio, Charles Kennedy, Siqi Lin, Mark E Labadia, Brian Cook, Robert Hughes, Neil A Farrow
The nuclear receptor retinoid acid-related orphan receptor γt (RORγt) is a master regulator of the Th17/IL-17 pathway that plays crucial roles in the pathogenesis of autoimmunity. RORγt has recently emerged as a highly promising target for treatment of a number of autoimmune diseases. Through high-throughput screening we previously identified several classes of inverse agonists for RORγt. Here, we report the crystal structures for the ligand binding domain of RORγt in both apo and ligand-bound states. We show that apo RORγt adopts an active conformation capable of recruiting coactivator peptides and present a detailed analysis of the structural determinants that stabilize helix 12 (H12) of RORγt in the active state in the absence of a ligand...
May 25, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28542004/do-dynamic-fat-and-fat-free-mass-changes-follow-theoretical-driven-rules-in-athletes
#3
Analiza M Silva, Catarina N Matias, Diana A Santos, Paulo M Rocha, Cláudia S Minderico, Diana Thomas, Steven B Heymsfield, Luís B Sardinha
INTRODUCTION: Maximizing fat mass (FM) loss while preserving or increasing fat-free mass (FFM) is a central goal for athletic performance but the composition of body weight (BW) changes over time with training are largely unknown. PURPOSE: We aimed to analyze FM and FFM contributions to BW changes and to test if these contributions follow established rules and predictions over one athletic season. METHODS: 70 athletes (42 males; handball, volleyball, basketball, triathlon, and swimming) were evaluated from the beginning to the competitive stage of the season and were empirically divided into those who lost (n=20) or gained >1...
May 23, 2017: Medicine and Science in Sports and Exercise
https://www.readbyqxmd.com/read/28540793/inverse-method-for-quantitative-characterisation-of-breast-tumours-from-surface-temperature-data
#4
R Hatwar, C Herman
PURPOSE: We introduce a computational method to simultaneously estimate size, location and blood perfusion of the cancerous breast lesion from the surface temperature data. METHODS: A 2D computational phantom of axisymmetric tumorous breast with six tissue layers, epidermis, papillary dermis, reticular dermis, fat, gland, muscle layer and spherical tumour was used to generate surface temperature distribution and thereby estimate tumour characteristics iteratively using an inverse algorithm based on Levenberg-Marquardt method...
April 5, 2017: International Journal of Hyperthermia
https://www.readbyqxmd.com/read/28540642/plasma-and-white-blood-cells-show-different-mirna-expression-profiles-in-parkinson-s-disease
#5
Christine Schwienbacher, Luisa Foco, Anne Picard, Eloina Corradi, Alice Serafin, Jörg Panzer, Stefano Zanigni, Hagen Blankenburg, Maurizio F Facheris, Giulia Giannini, Marika Falla, Pietro Cortelli, Peter P Pramstaller, Andrew A Hicks
Parkinson's disease (PD) diagnosis is based on the assessment of motor symptoms, which manifest when more than 50% of dopaminergic neurons are degenerated. To date, no validated biomarkers are available for the diagnosis of PD. The aims of the present study are to evaluate whether plasma and white blood cells (WBCs) are interchangeable biomarker sources and to identify circulating plasma-based microRNA (miRNA) biomarkers for an early detection of PD. We profiled plasma miRNA levels in 99 L-dopa-treated PD patients from two independent data collections, in ten drug-naïve PD patients, and in unaffected controls matched by sex and age...
May 24, 2017: Journal of Molecular Neuroscience: MN
https://www.readbyqxmd.com/read/28537433/aspirin-mediated-acetylation-protects-against-multiple-neurodegenerative-pathologies-by-impeding-protein-aggregation
#6
Srinivas Ayyadevara, Meenakshisundaram Balasubramaniam, Ramani Alla, J L Mehta, Robert J Shmookler Reis
AIMS: Many progressive neurological disorders, including Alzheimer's, Huntington's, and Parkinson's diseases, are characterized by accumulation of insoluble protein aggregates. In prospective trials, the cyclooxygenase inhibitor aspirin (acetylsalicylic acid) reduced the risk of Alzheimer's and Parkinson's diseases, as well as cardiovascular events and many late-onset cancers. In view of previous evidence that inflammation promotes protein hyperphosphorylation and aggregation in neurodegenerative diseases, we asked whether aspirin's known ability to block phosphorylation may be secondary to its acetylation of protein targets...
May 24, 2017: Antioxidants & Redox Signaling
https://www.readbyqxmd.com/read/28535650/-texture-analysis-based-on-contrast-enhanced-mri-can-predict-treatment-response-to-neoadjuvant-chemotherapy-of-breast-cancer
#7
S H Sun, C W Zhou, L Y Zhao, R Z Zhang, H Ouyang
Objective: To investigate whether texture analysis based on contrast-enhanced MRI can predict pathological complete response of locally advanced breast cancer undergoing neoadjuvant chemotherapy(NAC). Methods: Forty-seven patients with breast cancer undergone neoadjuvant chemotherapy from January 2015 to February 2016 were divided into pathological complete response (pCR) group or non-pathological complete response (non-pCR) group based on surgical pathology. Their parameters of texture analysis based on MRI before neoadjuvant chemotherapy and after 2 cycles of treatment were analyzed...
May 23, 2017: Zhonghua Zhong Liu za Zhi [Chinese Journal of Oncology]
https://www.readbyqxmd.com/read/28535348/coarse-grained-modeling-of-polyethylene-melts-effect-on-dynamics
#8
Brandon L Peters, K Michael Salerno, Anupriya Agrawal, Dvora Perahia, Gary S Grest
The distinctive viscoelastic behavior of polymers results from a coupled interplay of motion on multiple length and time scales. Capturing the broad time and length scales of polymer motion remains a challenge. Using polyethylene (PE) as a model macromolecule, we construct coarse-grained (CG) models of PE with 3-6 methyl groups per CG bead and probe two critical aspects of the technique: pressure corrections required after iterative Boltzmann inversion (IBI) to generate CG potentials that match the pressure of reference fully-atomistic melt simulations and the transferability of CG potentials across temperatures...
May 23, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28534908/phase-evolution-of-lithium-intercalation-dynamics-in-2h-mos2
#9
Juan Xia, Jin Wang, Dongliang Chao, Zhen Chen, Zheng Liu, Jer-Lai Kuo, Jiaxu Yan, Ze Xiang Shen
Due to the easy intralayer gliding and weak interlayer van der Waals interaction in transition metal dichalcogenides (TMDs), ion (particularly Li(+)) intercalation has been used to modify and tune their atomic structures to obtain the desired optical, electronic and chemical properties for future optoelectronics and energy storage applications. A good understanding of the transformative structures during intercalation is critical. In this paper, we investigate the structural transformation dynamics of 2H-MoS2 using electrochemical Li(+) intercalation for 2H-MoS2...
May 23, 2017: Nanoscale
https://www.readbyqxmd.com/read/28531356/spin-polarization-transfer-from-a-photogenerated-radical-ion-pair-to-a-stable-radical-controlled-by-charge-recombination
#10
Noah E Horwitz, Brian T Phelan, Jordan N Nelson, Catherine M Mauck, Matthew D Krzyaniak, Michael R Wasielewski
Photoexcitation of electron donor-acceptor molecules frequently produces radical ion pairs with well-defined initial spin-polarized states that have attracted significant interest for spintronics. Transfer of this initial spin polarization to a stable radical is predicted to depend on the rates of the radical ion pair recombination reactions, but this prediction has not been tested experimentally. In this study, a stable radical/electron donor/chromophore/electron acceptor molecule, BDPA(•)-mPD-ANI-NDI, where BDPA(•) is α,γ-bisdiphenylene-β-phenylallyl, mPD is m-phenylenediamine, ANI is 4-aminonaphthalene-1,8-dicarboximide, and NDI is naphthalene-1,4:5,8-bis(dicarboximide), was synthesized...
May 22, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28529384/the-pelskin-project-part-v-towards-the-control-of-the-flow-around-aerofoils-at-high-angle-of-attack-using-a-self-activated-deployable-flap
#11
Marco E Rosti, Laura Kamps, Christoph Bruecker, Mohammad Omidyeganeh, Alfredo Pinelli
During the flight of birds, it is often possible to notice that some of the primaries and covert feathers on the upper side of the wing pop-up under critical flight conditions, such as the landing approach or when stalking their prey (see Fig. 1) . It is often conjectured that the feathers pop up plays an aerodynamic role by limiting the spread of flow separation . A combined experimental and numerical study was conducted to shed some light on the physical mechanism determining the feathers self actuation and their effective role in controlling the flow field in nominally stalled conditions...
2017: Meccanica
https://www.readbyqxmd.com/read/28528161/functional-implication-of-mitral-annular-disjunction-in-mitral-valve-prolapse-a-quantitative-dynamic-3d-echocardiographic%C3%A2-study
#12
Alex Pui-Wai Lee, Chun-Na Jin, Yiting Fan, Randolph H L Wong, Malcolm J Underwood, Song Wan
OBJECTIVES: This study aimed to assess the hypothesis that mitral annular disjunction (MAD) is associated with abnormal annular dynamics due to decoupling of annular-ventricular function. BACKGROUND: MAD, defined as a separation between the atrial wall-mitral valve (MV) junction and left ventricular (LV) attachment, is a structural abnormality occurring in MV prolapse (MVP). Few data exist on the 3-dimensional (3D) geometry of MAD and its functional implication...
May 11, 2017: JACC. Cardiovascular Imaging
https://www.readbyqxmd.com/read/28527457/role-of-quantum-coherence-in-shaping-the-line-shape-of-an-exciton-interacting-with-a-spatially-and-temporally-correlated-bath
#13
Rajesh Dutta, Kaushik Bagchi, Biman Bagchi
Kubo's fluctuation theory of line shape forms the backbone of our understanding of optical and vibrational line shapes, through such concepts as static heterogeneity and motional narrowing. However, the theory does not properly address the effects of quantum coherences on optical line shape, especially in extended systems where a large number of eigenstates are present. In this work, we study the line shape of an exciton in a one-dimensional lattice consisting of regularly placed and equally separated optical two level systems...
May 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28524916/facile-fabrication-of-highly-controllable-gating-systems-based-on-the-combination-of-inverse-opal-structure-and-dynamic-covalent-chemistry
#14
Chen Wang, Haowei Yang, Li Tian, Shiqiang Wang, Ning Gao, Wanlin Zhang, Peng Wang, Xianpeng Yin, Guangtao Li
A three-dimensional (3D) inverse opal with periodic and porous structures has shown great potential for applications not only in optics and optoelectronics, but also in functional membranes. In this work, the benzaldehyde group was initially introduced into a 3D nanoporous inverse opal, serving as a platform for fabricating functional membranes. By employing the dynamic covalent approach, a highly controllable gating system was facilely fabricated to achieve modulable and reversible transport features. It was found that the physical/chemical properties and pore size of the gating system could easily be regulated through post-modification with amines...
May 19, 2017: Nanoscale
https://www.readbyqxmd.com/read/28524691/scheme-to-measure-the-topological-number-of-a-chern-insulator-from-quench-dynamics
#15
Ce Wang, Pengfei Zhang, Xin Chen, Jinlong Yu, Hui Zhai
We show how the topological number of a static Hamiltonian can be measured from a dynamical quench process. We focus on a two-band Chern insulator in two dimension, for instance, the Haldane model, whose dynamical process can be described by a mapping from the [k_{x},k_{y},t] space to the Bloch sphere, characterized by the Hopf invariant. Such a mapping has been constructed experimentally by measurements in cold atom systems. We show that, taking any two constant vectors on the Bloch sphere, their inverse images of this mapping are two trajectories in the [k_{x},k_{y},t] space, and the linking number of these two trajectories exactly equals the Chern number of the static Hamiltonian...
May 5, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28522666/discrimination-between-glioma-grades-ii-and-iii-using-dynamic-susceptibility-perfusion-mri-a-meta-analysis
#16
Anna F Delgado, Alberto F Delgado
BACKGROUND: DSC perfusion has been evaluated in the discrimination between low-grade and high-grade glioma but the diagnostic potential to discriminate beween glioma grades II and III remains unclear. PURPOSE: Our aim was to evaluate the diagnostic accuracy of relative maximal CBV from DSC perfusion MR imaging to discriminate glioma grades II and III. DATA SOURCES: A systematic literature search was performed in PubMed/MEDLINE, Embase, Web of Science, and ClinicalTrials...
May 18, 2017: AJNR. American Journal of Neuroradiology
https://www.readbyqxmd.com/read/28520797/cytogenetic-studies-on-populations-of-camponotus-rufipes-fabricius-1775-and-camponotus-renggeri-emery-1894-formicidae-formicinae
#17
Hilton Jeferson Alves Cardoso de Aguiar, Luísa Antônia Campos Barros, Danúbia Rodrigues Alves, Cléa Dos Santos Ferreira Mariano, Jacques Hubert Charles Delabie, Silvia das Graças Pompolo
Two valid ant species, Camponotus rufipes and Camponotus renggeri, have recently been the subject of a broad discussion with reference to taxa synonymization. Both species are quite common among the Neotropical myrmecofauna and share some unique traits, such as the shape of the scape and the pilosity patterns of the tibiae and scapes. A single morphological trait can help distinguish these species; however, only a combination of different approaches can enlighten our view of the complex phylogenetic relationships prevailing in the different populations of these two taxa...
2017: PloS One
https://www.readbyqxmd.com/read/28520198/dynamic-and-steady-state-oxygen-dependent-lung-relaxometry-using-inversion-recovery-ultra-fast-steady-state-free-precession-imaging-at-1-5-t
#18
Grzegorz Bauman, Orso Pusterla, Francesco Santini, Oliver Bieri
PURPOSE: To demonstrate the feasibility of oxygen-dependent relaxometry in human lung using an inversion recovery ultra-fast steady-state free precession (IR-ufSSFP) technique. METHODS: Electrocardiogram-triggered pulmonary relaxometry with IR-ufSSFP was performed in 7 healthy human subjects at 1.5 T. The data were acquired under both normoxic and hyperoxic conditions. In a single breath-hold of less than 9 seconds, 30 transient state IR-ufSSFP images were acquired, yielding longitudinal (T1) and transversal (T2) relaxometry parameter maps using voxel-wise nonlinear fitting...
May 18, 2017: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
https://www.readbyqxmd.com/read/28516050/towards-mri-temperature-mapping-in-real-time-the-proton-resonance-frequency-method-with-undersampled-radial-mri-and-nonlinear-inverse-reconstruction
#19
Zhongshuai Zhang, Thomas Michaelis, Jens Frahm
BACKGROUND: Optimal control of minimally invasive interventions by hyperthermia requires dynamic temperature mapping at high temporal resolution. METHODS: Based on the temperature-dependent shift of the proton resonance frequency (PRF), this work developed a method for real-time MRI thermometry which relies on highly undersampled radial FLASH MRI sequences with iterative image reconstruction by regularized nonlinear inversion (NLINV). As a first step, the method was validated with use of a temperature phantom and ex vivo organs (swine kidney) subjected to heating by warm water or a pulsed laser source...
April 2017: Quantitative Imaging in Medicine and Surgery
https://www.readbyqxmd.com/read/28510460/effects-of-membrane-defects-and-polymer-hydrophobicity-on-networking-kinetics-of-vesicles
#20
Yan Xia, Hyun-Sook Jang, Zhiqiang Shen, Geoffrey D Bothun, Ying Li, Mu-Ping Nieh
The kinetics of clustering unilamellar vesicles induced by inverse Pluronics, poly(propylene oxide)m-poly(ethylene oxide)n-poly(propylene oxide)m, POm-EOn-POm, were investigated via experiments and molecular dynamic simulations. Two important factors for controlling the networking kinetics are the membrane defects presumably located at the interfacial region between two lipid domains induced by acyl chain mismatch, and the polymer hydrophobicity. As expected, the clustering rate increases significantly with increasing bilayer defects on the membrane where the insertion of PPO is likely to take place because of the reduced energy barrier for the insertion of PO...
May 16, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
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