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https://www.readbyqxmd.com/read/28092830/trpv1-antagonism-by-piperazinyl-aryl-compounds-a-topomer-comfa-study-and-its-use-in-virtual-screening-for-identification-of-novel-antagonists
#1
Rajendra Kristam, Shashidhar N Rao, Anne Sudha D'Cruz, Vijayalakshmi Mahadevan, Vellarkad N Viswanadhan
Transient Receptor Potential Vanilloid, member 1 (TRPV1), is a non-selective cation channel belonging to the transient receptor potential (TRP) family of ion channels. It occurs in the peripheral and central nervous system, activated by a variety of exogenous and endogenous stimuli, thus playing a key role in transmission of pain. This has been a target for chronic pain since more than a decade and a number of antagonists that progressed into clinical trials have failed due to the unexpected side effect of core body temperature rise, thus halting progress in this field...
January 7, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28092651/long-lasting-antinociceptive-effects-of-green-light-in-acute-and-chronic-pain-in-rats
#2
Mohab M Ibrahim, Amol Patwardhan, Kerry B Gilbraith, Aubin Moutal, Xiaofang Yang, Lindsey A Chew, Tally Largent-Milnes, T Philip Malan, Todd W Vanderah, Frank Porreca, Rajesh Khanna
Treatments for chronic pain are inadequate, and new options are needed. Nonpharmaceutical approaches are especially attractive with many potential advantages including safety. Light therapy has been suggested to be beneficial in certain medical conditions such as depression, but this approach remains to be explored for modulation of pain. We investigated the effects of light-emitting diodes (LEDs), in the visible spectrum, on acute sensory thresholds in naive rats as well as in experimental neuropathic pain...
February 2017: Pain
https://www.readbyqxmd.com/read/28092583/deep-learning-and-insomnia-assisting-clinicians-with-their-diagnosis
#3
Mostafa Shahin, Beena Ahmed, Sana Tmar-Ben Hamida, Fathima Mulaffer, Martin Glos, Thomas Penzel
Effective sleep analysis is hampered by the lack of automated tools catering for disordered sleep patterns and cumbersome monitoring hardware. In this paper, we apply deep learning on a set of 57 EEG features extracted from a maximum of two EEG channels to accurately differentiate between patients with insomnia or controls with no sleep complaints. We investigated two different approaches to achieve this. The first approach used EEG data from the whole sleep recording irrespective of the sleep stage (stage-independent classification), while the second used only EEG data from insomnia-impacted specific sleep stages (stage-dependent classification)...
January 9, 2017: IEEE Journal of Biomedical and Health Informatics
https://www.readbyqxmd.com/read/28092581/an-integrated-maximum-current-density-approach-for-noninvasive-detection-of-myocardial-infarction
#4
Chen Zhao, Shiqin Jiang, Yanhua Wu, Junjie Zhu, Dafang Zhou, Birgit Hailer, Dietrich Gronemeyer, Peter Van Leeuwen
We present a new approach of integrated maximum current density (IMCD) for the noninvasive detection of myocardial infarction (MI) using magnetocardiography (MCG) data acquired from a superconducting quantum interference device (SQUID) system. In this study, we investigated the relationship of the maximum current density (MCD) in the current density map and the underlying equivalent current dipole (ECD) based on a novel method of reconstructing the ECD in the extremum circle of the magnetic field map. The performance of IMCD and the integrated ECD (IECD) approaches were also evaluated by using 61-channel MCG data from 39 healthy subjects and 102 patients with ST elevation myocardial infarction (STEMI)...
January 9, 2017: IEEE Journal of Biomedical and Health Informatics
https://www.readbyqxmd.com/read/28092575/a-cmos-current-steering-neurostimulation-array-with-integrated-dac-calibration-and-charge-balancing
#5
Elliot Greenwald, Christoph Maier, Qihong Wang, Robert Beaulieu, Ralph Etienne-Cummings, Gert Cauwenberghs, Nitish Thakor
An 8-channel current steerable, multi-phasic neural stimulator with on-chip current DAC calibration and residue nulling for precise charge balancing is presented. Each channel consists of two sub-binary radix DACs followed by wide-swing, high output impedance current buffers providing time-multiplexed source and sink outputs for anodic and cathodic stimulation. A single integrator is shared among channels and serves to calibrate DAC coefficients and to closely match the anodic and cathodic stimulation phases...
January 16, 2017: IEEE Transactions on Biomedical Circuits and Systems
https://www.readbyqxmd.com/read/28092568/equivalent-discrete-time-channel-modeling-for-molecular-communication-with-emphasize-on-an-absorbing-receiver
#6
Martin Damrath, Sebastian Korte, Peter Hoeher
This paper introduces the equivalent discrete-time channel model (EDTCM) to the area of diffusion-based molecular communication (DBMC). Emphasize is on an absorbing receiver, which is based on the so-called first passage time concept. In the wireless communications community the EDTCM is well known. Therefore, it is anticipated that the EDTCM improves the accessibility of DBMC and supports the adaptation of classical wireless communication algorithms to the area of DBMC. Furthermore, the EDTCM has the capability to provide a remarkable reduction of computational complexity compared to random walk based DBMC simulators...
January 10, 2017: IEEE Transactions on Nanobioscience
https://www.readbyqxmd.com/read/28092514/a-multivariate-approach-for-patient-specific-eeg-seizure-detection-using-empirical-wavelet-transform
#7
Abhijit Bhattacharyya, Ram Bilas Pachori
OBJECTIVE: This paper investigates the multivariate oscillatory nature of electroencephalogram (EEG) signals in adaptive frequency scales for epileptic seizure detection. METHODS: The empirical wavelet transform (EWT) has been explored for the multivariate signals in order to determine the joint instantaneous amplitudes and frequencies in signal adaptive frequency scales. The proposed multivariate extension of EWT has been studied on multivariate multi-component synthetic signal, as well as on multivariate EEG signals of CHB-MIT scalp EEG database...
January 9, 2017: IEEE Transactions on Bio-medical Engineering
https://www.readbyqxmd.com/read/28092509/a-bci-based-environmental-control-system-for-patients-with-severe-spinal-cord-injuries
#8
Rui Zhang, Qihong Wang, Kai Li, Shenghong He, Si Qin, Zhenghui Feng, Yang Chen, Pingxia Song, Tingyan Yang, Yuandong Zhang, Zhuliang Yu, Yaohua Hu, Ming Shao, Yuanqing Li
: This study proposes an event-related potential (ERP) BCI-based environmental control system that integrates household electrical appliances, a nursing bed, and an intelligent wheelchair to provide daily assistance to paralyzed patients with severe spinal cord injuries (SCIs). METHODS: An asynchronous mode is used to switch the environmental control system on or off or to select a device (e.g., a TV) for achieving selfpaced control. In the asynchronous mode, we introduce several pseudo-keys and a verification mechanism to effectively reduce the false operation rate...
January 9, 2017: IEEE Transactions on Bio-medical Engineering
https://www.readbyqxmd.com/read/28092506/wideband-2-d-array-design-optimization-with-fabrication-constraints-for-3-d-us-imaging
#9
Emmanuel Roux, Alessandro Ramalli, Herve Liebgott, Christian Cachard, Marc C Robini, Piero Tortoli
Ultrasound (US) 2-D arrays are of increasing interest due to their electronic steering capability to investigate 3-D regions without requiring any probe movement. These arrays are typically populated by thousands of elements that, ideally, should be individually driven by the companion scanner. Since this is not convenient, the so-called microbeamforming methods, yielding a prebeamforming stage performed in the probe handle by suitable custom integrated circuits, have so far been implemented in a few commercial high-end scanners...
January 2017: IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control
https://www.readbyqxmd.com/read/28092502/capacity-evaluation-of-a-quantum-based-channel-in-a-biological-context
#10
Valeria Loscri, Anna Maria Vegni
Nanotechnology, as enabler of the miniaturization of devices in a scale ranging from 1 to few hundreds of nm , represents a viable solution for " alternative" communication paradigms that could be effective in complex networked systems, as body area networks. Traditional communication paradigms are not effective in the context of joint body and nano-networked systems, for several reasons, and then novel approaches have been investigated such as nanomechanical, electromagnetic, acoustic, molecular, etc. On the other hand, quantum phenomena represent a natural direction for developing nanotechnology, since it has to be considered as a new scale where new phenomena can occur and can be exploited for information purpose...
December 2016: IEEE Transactions on Nanobioscience
https://www.readbyqxmd.com/read/28092417/dense-semi-clathrates-at-high-pressure-a-study-of-the-water-tert-butylamine-system
#11
Rubén Granero-García, Andrzej Falenty, Francesca Paola Anna Fabbiani
In situ high-pressure crystallization and diffraction techniques have been applied to obtain two very structurally-distinct semi-clathrates of the tert-butylamine-water system with hydration numbers 5.65 and 5.8, respectively, thereby considerably reducing a notable hydration gap between the monohydrate and the 7¼-hydrate that results when crystallization space is explored by temperature alone. Both structures can be considered as an intriguing solid-state example of hydrophobic hydration in which the water network creates wide tert-butylamine-filled channels stabilized by cross-linking hydrogen bonds...
January 16, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28092379/structure-fragmentation-patterns-and-magnetic-properties-of-small-nickel-oxide-clusters
#12
R H Aguilera-Del-Toro, F Aguilera-Granja, L C Balbás, A Vega
We report a comprehensive theoretical study of the structural and electronic properties of neutral and charged nickel oxide clusters, NinOm(0/±) (n = 3-8 and m = 1-10), in the context of recent experiments of photodissociation and Ion Mobility Mass Spectrometry. By means of density functional theory calculations in the generalized gradient approximation for exchange and correlation, we determined the putative ground states as well as the low-energy structural- and spin-isomers which were then used to explore the favorable fragmentation channels of the nickel oxide cationic clusters, and the resulting most abundant products, in good qualitative agreement with photodissociation measurements...
January 16, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28092368/molecular-insights-into-lipid-assisted-ca-2-regulation-of-the-trp-channel-polycystin-2
#13
Martin Wilkes, M Gregor Madej, Lydia Kreuter, Daniel Rhinow, Veronika Heinz, Silvia De Sanctis, Sabine Ruppel, Rebecca M Richter, Friederike Joos, Marina Grieben, Ashley C W Pike, Juha T Huiskonen, Elisabeth P Carpenter, Werner Kühlbrandt, Ralph Witzgall, Christine Ziegler
Polycystin-2 (PC2), a calcium-activated cation TRP channel, is involved in diverse Ca(2+) signaling pathways. Malfunctioning Ca(2+) regulation in PC2 causes autosomal-dominant polycystic kidney disease. Here we report two cryo-EM structures of distinct channel states of full-length human PC2 in complex with lipids and cations. The structures reveal conformational differences in the selectivity filter and in the large exoplasmic domain (TOP domain), which displays differing N-glycosylation. The more open structure has one cation bound below the selectivity filter (single-ion mode, PC2SI), whereas multiple cations are bound along the translocation pathway in the second structure (multi-ion mode, PC2MI)...
January 16, 2017: Nature Structural & Molecular Biology
https://www.readbyqxmd.com/read/28092359/lysine-relay-mechanism-coordinates-intermediate-transfer-in-vitamin-b6-biosynthesis
#14
Matthew J Rodrigues, Volker Windeisen, Yang Zhang, Gabriela Guédez, Stefan Weber, Marco Strohmeier, Jeremiah W Hanes, Antoine Royant, Gwyndaf Evans, Irmgard Sinning, Steven E Ealick, Tadhg P Begley, Ivo Tews
Substrate channeling has emerged as a common mechanism for enzymatic intermediate transfer. A conspicuous gap in knowledge concerns the use of covalent lysine imines in the transfer of carbonyl-group-containing intermediates, despite their wideuse in enzymatic catalysis. Here we show how imine chemistry operates in the transfer of covalent intermediates in pyridoxal 5'-phosphate biosynthesis by the Arabidopsis thaliana enzyme Pdx1. An initial ribose 5-phosphate lysine imine is converted to the chromophoric I320 intermediate, simultaneously bound to two lysine residues and partially vacating the active site, which creates space for glyceraldehyde 3-phosphate to bind...
January 16, 2017: Nature Chemical Biology
https://www.readbyqxmd.com/read/28092292/epicardial-collaterals-spasm-as-a-cause-of-st-elevation-myocardial-infarction
#15
Vincenzo Vetrugno, Francesco Fracassi, Osama Shoeib, Domenico D'Amario, Giampaolo Niccoli, Filippo Crea
ST elevation myocardial infarction in a 61-year-old man with a history of previous coronary artery bypass grafts. Spasm of collaterals to the circumflex coronary artery was the cause of acute presentation and was successfully treated by intracoronary nitrates. Chronic therapy with calcium channel blockers was added in the discharge medications chart.
January 13, 2017: Journal of Cardiovascular Medicine
https://www.readbyqxmd.com/read/28092267/cryo-em-structure-of-the-atp-sensitive-potassium-channel-illuminates-mechanisms-of-assembly-and-gating
#16
Gregory M Martin, Craig Yoshioka, Emily A Rex, Jonathan F Fay, Qing Xie, Matthew R Whorton, James Z Chen, Show-Ling Shyng
KATP channels are metabolic sensors that couple cell energetics to membrane excitability. In pancreatic β-cells, channels formed by SUR1 and Kir6.2 regulate insulin secretion and are the targets of antidiabetic sulfonylureas. Here, we used cryo-EM to elucidate structural basis of channel assembly and gating. The structure, determined in the presence of ATP and the sulfonylurea glibenclamide, at ~6Å resolution reveals a closed Kir6.2 tetrameric core with four peripheral SUR1s each anchored to a Kir6.2 by its N-terminal transmembrane domain (TMD0)...
January 16, 2017: ELife
https://www.readbyqxmd.com/read/28092181/impaired-redox-environment-modulates-cardiogenic-and-ion-channel-gene-expression-in-cardiac-resident-and-non-resident-mesenchymal-stem-cells
#17
Baskar Subramani, Sellamuthu Subbannagounder, Chithra Ramanathanpullai, Sekar Palanivel, Rajesh Ramasamy
Redox homeostasis plays a crucial role in the regulation of self-renewal and differentiation of stem cells. However, the behavioral actions of mesenchymal stem cells in redox imbalance state remain elusive. In the present study, the effect of redox imbalance that was induced by either hydrogen peroxide (H2O2) or ascorbic acid on human cardiac-resident (hC-MSCs) and non-resident (umbilical cord) mesenchymal stem cells (hUC-MSCs) was evaluated. Both cells were sensitive and responsive when exposed to either H2O2 or ascorbic acid at a concentration of 400 µmol/L...
January 1, 2017: Experimental Biology and Medicine
https://www.readbyqxmd.com/read/28091989/hazardous-metal-pollution-in-a-protected-coastal-area-from-northern-patagonia-argentina
#18
C H Marinho, E Giarratano, J L Esteves, M A Narvarte, M N Gil
The San Antonio Bay is a protected natural coastal area of Argentina that has been exposed to mining wastes over the last three decades. Iron and trace metals of potential concern to biota and human health (Cd, Pb, Cu, and Zn) were investigated in the sediments from the bay and in the soils of the Pile (mining wastes). Concentrations of Cd (45 mg kg(-1)), Pb (42,853 mg kg(-1)), Cu (24,505 mg kg(-1)), and Zn (28,686 mg kg(-1)) in the soils Pile exceeded guidelines for agricultural, residential, and industrial land uses...
January 13, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28091811/charge-transfer-dissociation-ctd-mass-spectrometry-of-peptide-cations-study-of-charge-state-effects-and-side-chain-losses
#19
Pengfei Li, Glen P Jackson
1+, 2+, and 3+ precursors of substance P and bradykinin were subjected to helium cation irradiation in a 3D ion trap mass spectrometer. Charge exchange with the helium cations produces a variety of fragment ions, the number and type of which are dependent on the charge state of the precursor ions. For 1+ peptide precursors, fragmentation is generally restricted to C-CO backbone bonds (a and x ions), whereas for 2+ and 3+ peptide precursors, all three backbone bonds (C-CO, C-N, and N-Cα) are cleaved. The type of backbone bond cleavage is indicative of possible dissociation channels involved in CTD process, including high-energy, kinetic-based, and ETD-like pathways...
January 13, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28091657/zinc-transport-and-the-inhibition-of-the-l-type-calcium-channel-are-two-separable-functions-of-znt-1
#20
Eden Shusterman, Ofer Beharier, Shiri Levy, Raz Zarivach, Yoram Etzion, Craig R Campbell, Il-Ha Lee, Anuwat Dinudom, David I Cook, Asher Peretz, Amos Katz, Daniel Gitler, Arie Moran
Traditionally, proteins are considered to perform a single role, be it as an enzyme, a channel, a transporter or as a structural scaffold. However, recent studies have described moonlighting proteins that perform distinct and independent functions; for example, TRPM7 is both an ion channel and a kinase. ZnT-1 is a member of the Carrier Diffusion Facilitator family that is expressed throughout the phylogenetic tree from bacteria to humans. Since its cloning in 1995, ZnT-1 is considered a major extruder of Zn(2+) based on its capability to protect cells against zinc toxicity...
January 16, 2017: Metallomics: Integrated Biometal Science
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