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https://www.readbyqxmd.com/read/28070582/grain-boundary-mediated-nanopores-in-molybdenum-disulfide-grown-by-chemical-vapor-deposition
#1
Kenan Elibol, Toma Susi, Maria O Brien, Bernhard C Bayer, Timothy J Pennycook, Niall McEvoy, Georg S Duesberg, Jannik C Meyer, Jani Kotakoski
Molybdenum disulfide (MoS2) is a particularly interesting member of the family of two-dimensional (2D) materials due to its semiconducting and tunable electronic properties. Currently, the most reliable method for obtaining high-quality industrial scale amounts of 2D materials is chemical vapor deposition (CVD), which results in polycrystalline samples. As grain boundaries (GBs) are intrinsic defect lines within CVD-grown 2D materials, their atomic structure is of paramount importance. Here, through atomic-scale analysis of micrometer-long GBs, we show that covalently bound boundaries in 2D MoS2 tend to be decorated by nanopores...
January 10, 2017: Nanoscale
https://www.readbyqxmd.com/read/28070282/the-database-of-the-predicts-projecting-responses-of-ecological-diversity-in-changing-terrestrial-systems-project
#2
Lawrence N Hudson, Tim Newbold, Sara Contu, Samantha L L Hill, Igor Lysenko, Adriana De Palma, Helen R P Phillips, Tamera I Alhusseini, Felicity E Bedford, Dominic J Bennett, Hollie Booth, Victoria J Burton, Charlotte W T Chng, Argyrios Choimes, David L P Correia, Julie Day, Susy Echeverría-Londoño, Susan R Emerson, Di Gao, Morgan Garon, Michelle L K Harrison, Daniel J Ingram, Martin Jung, Victoria Kemp, Lucinda Kirkpatrick, Callum D Martin, Yuan Pan, Gwilym D Pask-Hale, Edwin L Pynegar, Alexandra N Robinson, Katia Sanchez-Ortiz, Rebecca A Senior, Benno I Simmons, Hannah J White, Hanbin Zhang, Job Aben, Stefan Abrahamczyk, Gilbert B Adum, Virginia Aguilar-Barquero, Marcelo A Aizen, Belén Albertos, E L Alcala, Maria Del Mar Alguacil, Audrey Alignier, Marc Ancrenaz, Alan N Andersen, Enrique Arbeláez-Cortés, Inge Armbrecht, Víctor Arroyo-Rodríguez, Tom Aumann, Jan C Axmacher, Badrul Azhar, Adrián B Azpiroz, Lander Baeten, Adama Bakayoko, András Báldi, John E Banks, Sharad K Baral, Jos Barlow, Barbara I P Barratt, Lurdes Barrico, Paola Bartolommei, Diane M Barton, Yves Basset, Péter Batáry, Adam J Bates, Bruno Baur, Erin M Bayne, Pedro Beja, Suzan Benedick, Åke Berg, Henry Bernard, Nicholas J Berry, Dinesh Bhatt, Jake E Bicknell, Jochen H Bihn, Robin J Blake, Kadiri S Bobo, Roberto Bóçon, Teun Boekhout, Katrin Böhning-Gaese, Kevin J Bonham, Paulo A V Borges, Sérgio H Borges, Céline Boutin, Jérémy Bouyer, Cibele Bragagnolo, Jodi S Brandt, Francis Q Brearley, Isabel Brito, Vicenç Bros, Jörg Brunet, Grzegorz Buczkowski, Christopher M Buddle, Rob Bugter, Erika Buscardo, Jörn Buse, Jimmy Cabra-García, Nilton C Cáceres, Nicolette L Cagle, María Calviño-Cancela, Sydney A Cameron, Eliana M Cancello, Rut Caparrós, Pedro Cardoso, Dan Carpenter, Tiago F Carrijo, Anelena L Carvalho, Camila R Cassano, Helena Castro, Alejandro A Castro-Luna, Cerda B Rolando, Alexis Cerezo, Kim Alan Chapman, Matthieu Chauvat, Morten Christensen, Francis M Clarke, Daniel F R Cleary, Giorgio Colombo, Stuart P Connop, Michael D Craig, Leopoldo Cruz-López, Saul A Cunningham, Biagio D'Aniello, Neil D'Cruze, Pedro Giovâni da Silva, Martin Dallimer, Emmanuel Danquah, Ben Darvill, Jens Dauber, Adrian L V Davis, Jeff Dawson, Claudio de Sassi, Benoit de Thoisy, Olivier Deheuvels, Alain Dejean, Jean-Louis Devineau, Tim Diekötter, Jignasu V Dolia, Erwin Domínguez, Yamileth Dominguez-Haydar, Silvia Dorn, Isabel Draper, Niels Dreber, Bertrand Dumont, Simon G Dures, Mats Dynesius, Lars Edenius, Paul Eggleton, Felix Eigenbrod, Zoltán Elek, Martin H Entling, Karen J Esler, Ricardo F de Lima, Aisyah Faruk, Nina Farwig, Tom M Fayle, Antonio Felicioli, Annika M Felton, Roderick J Fensham, Ignacio C Fernandez, Catarina C Ferreira, Gentile F Ficetola, Cristina Fiera, Bruno K C Filgueiras, Hüseyin K Fırıncıoğlu, David Flaspohler, Andreas Floren, Steven J Fonte, Anne Fournier, Robert E Fowler, Markus Franzén, Lauchlan H Fraser, Gabriella M Fredriksson, Geraldo B Freire, Tiago L M Frizzo, Daisuke Fukuda, Dario Furlani, René Gaigher, Jörg U Ganzhorn, Karla P García, Juan C Garcia-R, Jenni G Garden, Ricardo Garilleti, Bao-Ming Ge, Benoit Gendreau-Berthiaume, Philippa J Gerard, Carla Gheler-Costa, Benjamin Gilbert, Paolo Giordani, Simonetta Giordano, Carly Golodets, Laurens G L Gomes, Rachelle K Gould, Dave Goulson, Aaron D Gove, Laurent Granjon, Ingo Grass, Claudia L Gray, James Grogan, Weibin Gu, Moisès Guardiola, Nihara R Gunawardene, Alvaro G Gutierrez, Doris L Gutiérrez-Lamus, Daniela H Haarmeyer, Mick E Hanley, Thor Hanson, Nor R Hashim, Shombe N Hassan, Richard G Hatfield, Joseph E Hawes, Matt W Hayward, Christian Hébert, Alvin J Helden, John-André Henden, Philipp Henschel, Lionel Hernández, James P Herrera, Farina Herrmann, Felix Herzog, Diego Higuera-Diaz, Branko Hilje, Hubert Höfer, Anke Hoffmann, Finbarr G Horgan, Elisabeth Hornung, Roland Horváth, Kristoffer Hylander, Paola Isaacs-Cubides, Hiroaki Ishida, Masahiro Ishitani, Carmen T Jacobs, Víctor J Jaramillo, Birgit Jauker, F Jiménez Hernández, McKenzie F Johnson, Virat Jolli, Mats Jonsell, S Nur Juliani, Thomas S Jung, Vena Kapoor, Heike Kappes, Vassiliki Kati, Eric Katovai, Klaus Kellner, Michael Kessler, Kathryn R Kirby, Andrew M Kittle, Mairi E Knight, Eva Knop, Florian Kohler, Matti Koivula, Annette Kolb, Mouhamadou Kone, Ádám Kőrösi, Jochen Krauss, Ajith Kumar, Raman Kumar, David J Kurz, Alex S Kutt, Thibault Lachat, Victoria Lantschner, Francisco Lara, Jesse R Lasky, Steven C Latta, William F Laurance, Patrick Lavelle, Violette Le Féon, Gretchen LeBuhn, Jean-Philippe Légaré, Valérie Lehouck, María V Lencinas, Pia E Lentini, Susan G Letcher, Qi Li, Simon A Litchwark, Nick A Littlewood, Yunhui Liu, Nancy Lo-Man-Hung, Carlos A López-Quintero, Mounir Louhaichi, Gabor L Lövei, Manuel Esteban Lucas-Borja, Victor H Luja, Matthew S Luskin, M Cristina MacSwiney G, Kaoru Maeto, Tibor Magura, Neil Aldrin Mallari, Louise A Malone, Patrick K Malonza, Jagoba Malumbres-Olarte, Salvador Mandujano, Inger E Måren, Erika Marin-Spiotta, Charles J Marsh, E J P Marshall, Eliana Martínez, Guillermo Martínez Pastur, David Moreno Mateos, Margaret M Mayfield, Vicente Mazimpaka, Jennifer L McCarthy, Kyle P McCarthy, Quinn S McFrederick, Sean McNamara, Nagore G Medina, Rafael Medina, Jose L Mena, Estefania Mico, Grzegorz Mikusinski, Jeffrey C Milder, James R Miller, Daniel R Miranda-Esquivel, Melinda L Moir, Carolina L Morales, Mary N Muchane, Muchai Muchane, Sonja Mudri-Stojnic, A Nur Munira, Antonio Muoñz-Alonso, B F Munyekenye, Robin Naidoo, A Naithani, Michiko Nakagawa, Akihiro Nakamura, Yoshihiro Nakashima, Shoji Naoe, Guiomar Nates-Parra, Dario A Navarrete Gutierrez, Luis Navarro-Iriarte, Paul K Ndang'ang'a, Eike L Neuschulz, Jacqueline T Ngai, Violaine Nicolas, Sven G Nilsson, Norbertas Noreika, Olivia Norfolk, Jorge Ari Noriega, David A Norton, Nicole M Nöske, A Justin Nowakowski, Catherine Numa, Niall O'Dea, Patrick J O'Farrell, William Oduro, Sabine Oertli, Caleb Ofori-Boateng, Christopher Omamoke Oke, Vicencio Oostra, Lynne M Osgathorpe, Samuel Eduardo Otavo, Navendu V Page, Juan Paritsis, Alejandro Parra-H, Luke Parry, Guy Pe'er, Peter B Pearman, Nicolás Pelegrin, Raphaël Pélissier, Carlos A Peres, Pablo L Peri, Anna S Persson, Theodora Petanidou, Marcell K Peters, Rohan S Pethiyagoda, Ben Phalan, T Keith Philips, Finn C Pillsbury, Jimmy Pincheira-Ulbrich, Eduardo Pineda, Joan Pino, Jaime Pizarro-Araya, A J Plumptre, Santiago L Poggio, Natalia Politi, Pere Pons, Katja Poveda, Eileen F Power, Steven J Presley, Vânia Proença, Marino Quaranta, Carolina Quintero, Romina Rader, B R Ramesh, Martha P Ramirez-Pinilla, Jai Ranganathan, Claus Rasmussen, Nicola A Redpath-Downing, J Leighton Reid, Yana T Reis, José M Rey Benayas, Juan Carlos Rey-Velasco, Chevonne Reynolds, Danilo Bandini Ribeiro, Miriam H Richards, Barbara A Richardson, Michael J Richardson, Rodrigo Macip Ríos, Richard Robinson, Carolina A Robles, Jörg Römbke, Luz Piedad Romero-Duque, Matthias Rös, Loreta Rosselli, Stephen J Rossiter, Dana S Roth, T'ai H Roulston, Laurent Rousseau, André V Rubio, Jean-Claude Ruel, Jonathan P Sadler, Szabolcs Sáfián, Romeo A Saldaña-Vázquez, Katerina Sam, Ulrika Samnegård, Joana Santana, Xavier Santos, Jade Savage, Nancy A Schellhorn, Menno Schilthuizen, Ute Schmiedel, Christine B Schmitt, Nicole L Schon, Christof Schüepp, Katharina Schumann, Oliver Schweiger, Dawn M Scott, Kenneth A Scott, Jodi L Sedlock, Steven S Seefeldt, Ghazala Shahabuddin, Graeme Shannon, Douglas Sheil, Frederick H Sheldon, Eyal Shochat, Stefan J Siebert, Fernando A B Silva, Javier A Simonetti, Eleanor M Slade, Jo Smith, Allan H Smith-Pardo, Navjot S Sodhi, Eduardo J Somarriba, Ramón A Sosa, Grimaldo Soto Quiroga, Martin-Hugues St-Laurent, Brian M Starzomski, Constanti Stefanescu, Ingolf Steffan-Dewenter, Philip C Stouffer, Jane C Stout, Ayron M Strauch, Matthew J Struebig, Zhimin Su, Marcela Suarez-Rubio, Shinji Sugiura, Keith S Summerville, Yik-Hei Sung, Hari Sutrisno, Jens-Christian Svenning, Tiit Teder, Caragh G Threlfall, Anu Tiitsaar, Jacqui H Todd, Rebecca K Tonietto, Ignasi Torre, Béla Tóthmérész, Teja Tscharntke, Edgar C Turner, Jason M Tylianakis, Marcio Uehara-Prado, Nicolas Urbina-Cardona, Denis Vallan, Adam J Vanbergen, Heraldo L Vasconcelos, Kiril Vassilev, Hans A F Verboven, Maria João Verdasca, José R Verdú, Carlos H Vergara, Pablo M Vergara, Jort Verhulst, Massimiliano Virgilio, Lien Van Vu, Edward M Waite, Tony R Walker, Hua-Feng Wang, Yanping Wang, James I Watling, Britta Weller, Konstans Wells, Catrin Westphal, Edward D Wiafe, Christopher D Williams, Michael R Willig, John C Z Woinarski, Jan H D Wolf, Volkmar Wolters, Ben A Woodcock, Jihua Wu, Joseph M Wunderle, Yuichi Yamaura, Satoko Yoshikura, Douglas W Yu, Andrey S Zaitsev, Juliane Zeidler, Fasheng Zou, Ben Collen, Rob M Ewers, Georgina M Mace, Drew W Purves, Jörn P W Scharlemann, Andy Purvis
The PREDICTS project-Projecting Responses of Ecological Diversity In Changing Terrestrial Systems (www.predicts.org.uk)-has collated from published studies a large, reasonably representative database of comparable samples of biodiversity from multiple sites that differ in the nature or intensity of human impacts relating to land use. We have used this evidence base to develop global and regional statistical models of how local biodiversity responds to these measures. We describe and make freely available this 2016 release of the database, containing more than 3...
January 2017: Ecology and Evolution
https://www.readbyqxmd.com/read/28068087/design-of-a-biased-potent-small-molecule-inhibitor-of-the-bromodomain-and-phd-finger-containing-brpf-proteins-suitable-for-cellular-and-in-vivo-studies
#3
Niall Igoe, Elliott D Bayle, Oleg Fedorov, Cynthia Tallant, Pavel Savitsky, Catherine Rogers, Dafydd R Owen, Gauri Deb, Tim C P Somervaille, David M Andrews, Neil Jones, Anne Cheasty, Hamish Ryder, Paul E Brennan, Susanne Müller, Stefan Knapp, Paul V Fish
The BRPF (bromodomain and PHD finger-containing) family are scaffolding proteins important for the recruitment of histone acetyltransferases of the MYST family to chromatin. Evaluation of the BRPF family as a potential drug target is at an early stage although there is an emerging understanding of a role in acute myeloid leukemia (AML). We report the optimization of fragment hit 5b to 13-d as a biased, potent inhibitor of the BRD of the BRPFs with excellent selectivity over nonclass IV BRD proteins. Evaluation of 13-d in a panel of cancer cell lines showed a selective inhibition of proliferation of a subset of AML lines...
January 9, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28064405/a-systematic-review-of-circadian-function-chronotype-and-chronotherapy-in-attention-deficit-hyperactivity-disorder
#4
REVIEW
Andrew N Coogan, Niall M McGowan
Reports of sleep disturbances in attention deficit hyperactivity disorder (ADHD) are common in both children and adults; however, the aetiology of such disturbances is poorly understood. One potentially important mechanism which may be implicated in disrupted sleep in ADHD is the circadian CLOCK, a known key regulator of the sleep/wake cycle. In this systematic review, we analyse the evidence for circadian rhythm changes associated with ADHD, as well as assessing evidence for therapeutic approaches involving the circadian CLOCK in ADHD...
January 7, 2017: Attention Deficit and Hyperactivity Disorders
https://www.readbyqxmd.com/read/28052787/cold-plasma-technology-and-reducing-surface-bacterial-counts-a-pilot-study
#5
Tânia Claro, Roisin Fay, Conor Murphy, Niall O'Connor, Stephen Daniels, Hilary Humphreys
No abstract text is available yet for this article.
January 5, 2017: Infection Control and Hospital Epidemiology
https://www.readbyqxmd.com/read/28040351/clinical-outcomes-of-patients-with-histologic-variants-of-urothelial-cancer-treated-with-trimodality-bladder-sparing-therapy
#6
Ross E Krasnow, Michael Drumm, Hannah J Roberts, Andrzej Niemierko, Chin-Lee Wu, Shulin Wu, Jing Zhang, Niall M Heney, Matthew F Wszolek, Michael L Blute, Adam S Feldman, Richard J Lee, Anthony L Zietman, William U Shipley, Jason A Efstathiou
BACKGROUND: Trimodality bladder-sparing therapy (TMT) is an acceptable treatment for selected patients with muscle-invasive urothelial cancer. Outcomes of TMT in histologic variants remains largely unknown. OBJECTIVE: To compare outcomes of pure urothelial carcinoma (PUC) to variant urothelial carcinoma (VUC) after TMT. DESIGN, SETTING, AND PARTICIPANTS: Retrospective study of patients treated with TMT at a single cancer center from 1993 until 2013...
December 28, 2016: European Urology
https://www.readbyqxmd.com/read/28038352/effects-of-decreased-dopamine-transporter-levels-on-nigrostriatal-neurons-and-paraquat-maneb-toxicity-in-mice
#7
Franziska Richter, Lauryn Gabby, Kimberly A McDowell, Caitlyn K Mulligan, Krystal De La Rosa, Pedrom C Sioshansi, Farzad Mortazavi, Ingrid Cely, Larry C Ackerson, Linda Tsan, Niall P Murphy, Nigel T Maidment, Marie-Françoise Chesselet
How genetic variations in the dopamine transporter (DAT) combined with exposure to environmental toxins modulate the risk of Parkinson's disease remains unclear. Using unbiased stereology in DAT knock-down mice (DAT-KD) and wild-type (WT) littermates, we found that decreased DAT caused a loss of tyrosine hydroxylase-positive (dopaminergic) neurons in subregions of the substantia nigra pars compacta at 3-4 days, 5 weeks, and 18 months of age. Both genotypes lost dopaminergic neurons with age and remaining neurons at 11 months were resilient to paraquat/maneb...
December 1, 2016: Neurobiology of Aging
https://www.readbyqxmd.com/read/28028069/remote-ischaemic-conditioning-reduces-infarct-size-in-animal-in-vivo-models-of-ischaemia-reperfusion-injury-a-systematic-review-and-meta-analysis
#8
Daniel I Bromage, Jack M J Pickard, Xavier Rossello, Oliver J Ziff, Niall Burke, Derek M Yellon, Sean M Davidson
AIMS: The potential of remote ischaemic conditioning (RIC) to ameliorate myocardial ischaemia-reperfusion injury (IRI) remains controversial. We aimed to analyse the pre-clinical evidence base to ascertain the overall effect and variability of RIC in animal in vivo models of myocardial IRI. Furthermore, we aimed to investigate the impact of different study protocols on the protective utility of RIC in animal models and identify gaps in our understanding of this promising therapeutic strategy...
October 23, 2016: Cardiovascular Research
https://www.readbyqxmd.com/read/28017368/bilateral-pneumonectomy-to-treat-uncontrolled-sepsis-in-a-patient-awaiting-lung-transplantation
#9
Marcelo Cypel, Thomas Waddell, Lianne G Singer, Lorenzo Del Sorbo, Eddy Fan, Matthew Binnie, Niall D Ferguson, Shaf Keshavjee
No abstract text is available yet for this article.
November 23, 2016: Journal of Thoracic and Cardiovascular Surgery
https://www.readbyqxmd.com/read/28017348/late-gadolinium-enhancement-and-the%C3%A2-risk-for-ventricular-arrhythmias-or-sudden%C3%A2-death-in-dilated-cardiomyopathy-systematic-review-and-meta-analysis
#10
Andrea Di Marco, Ignasi Anguera, Matthias Schmitt, Igor Klem, Thomas Neilan, James A White, Marek Sramko, Pier Giorgio Masci, Andrea Barison, Peter Mckenna, Ify Mordi, Kristina H Haugaa, Francisco Leyva, Jorge Rodriguez Capitán, Hiroshi Satoh, Takeru Nabeta, Paolo Domenico Dallaglio, Niall G Campbell, Xavier Sabaté, Ángel Cequier
OBJECTIVES: The aim of this study was to evaluate the association between late gadolinium enhancement (LGE) on cardiac magnetic resonance imaging and ventricular arrhythmias or sudden cardiac death (SCD) in patients with dilated cardiomyopathy (DCM). BACKGROUND: Risk stratification for SCD in DCM needs to be improved. METHODS: A systematic review and meta-analysis were conducted. A systematic search of PubMed and Ovid was performed, and observational studies that analyzed the arrhythmic endpoint (sustained ventricular arrhythmia, appropriate implantable cardioverter-defibrillator [ICD] therapy, or SCD) in patients with DCM, stratified by the presence or absence of LGE, were included...
November 30, 2016: JACC. Heart Failure
https://www.readbyqxmd.com/read/28012473/thanks-to-our-peer-reviewers-in-2016
#11
Niall Boyce, Joan Marsh, Catherine Quarini
No abstract text is available yet for this article.
January 2017: Lancet Psychiatry
https://www.readbyqxmd.com/read/28011487/detection-of-circulating-tumour-cells-and-survival-of-patients-with-non-small-cell-lung-cancer
#12
Dimple Chudasama, James Barr, Julie Beeson, Emma Beddows, Niall McGonigle, Alexandra Rice, Andrew Nicholson, Vladimir Anikin
BACKGROUND: Detection of circulating tumour cells (CTCs) in the peripheral blood of lung cancer patients may predict survival. Various platforms exist that allow capture of these cells for further analysis; little work however, has been done with the ScreenCell device, an antibody-independent CTC platform. The aim of our study was to evaluate the ScreenCell device for detection of CTCs in lung cancer patients and to establish correlations of these findings with survival. MATERIALS AND METHODS: Twenty-three patients, nine males, and fourteen females, underwent surgical treatment from February to May 2014 for non-small cell lung cancer...
January 2017: Anticancer Research
https://www.readbyqxmd.com/read/28011187/mucosal-associated-invariant-t-cells-are-depleted-and-functionally-altered-in-patients-with-common-variable-immunodeficiency
#13
Serena Arduini, Jean Dunne, Niall Conlon, Conleth Feighery, Derek G Doherty
Common variable immunodeficiency (CVID) is a primary immunoglobulin deficiency characterized by recurrent infections and complications, including autoimmunity, enteropathy, polyclonal lymphocytic infiltration or lymphoid malignancy. Innate T cells can support B cell maturation and antibody production. We investigated the numbers, phenotypes and functions of circulating B cell, γδ T cell, invariant natural killer T (iNKT) cell and mucosal-associated invariant T (MAIT) cell subsets in 23 CVID patients and 27 healthy controls...
December 20, 2016: Clinical Immunology: the Official Journal of the Clinical Immunology Society
https://www.readbyqxmd.com/read/27978692/catalytic-dearomatization-approach-to-quinolizidine-alkaloids-five-step-total-synthesis-of-%C3%A2-lasubine-ii
#14
Michael J James, Niall D Grant, Peter O'Brien, Richard J K Taylor, William P Unsworth
A series of high-yielding silver(I)-catalyzed cyclization reactions of pyridine-, isoquinoline-, and pyrazine-ynones are described. The operationally simple and mild reaction conditions are a significant improvement over previously reported thermal cyclizations. The quinolizinone products were also used in a novel dearomatization strategy to prepare 0.53 g of the alkaloid lasubine II in five steps and 36% overall yield.
December 16, 2016: Organic Letters
https://www.readbyqxmd.com/read/27934790/abdomino-endoscopic-perineal-excision-of-the-rectum-for-benign-and-malignant-pathology-technique-considerations-for-true-transperineal-verus-transanal-total-mesorectal-excision-endoscopic-proctectomy
#15
Hazar Al Furajii, Niall Kennedy, Ronan A Cahill
PURPOSE: Transanal minimally invasive surgery using single port instrumentation is now well described for the performance of total mesorectal excision with restorative colorectal/anal anastomosis most-often in conjunction with transabdominal multiport assistance. While non-restorative abdomino-endoscopic perineal excision of the anorectum is conceptually similar, it has been less detailed in the literature. METHODS: Consecutive patients undergoing non-restorative ano-proctectomy including a transperineal endoscopic component were analysed...
January 2017: Journal of Minimal Access Surgery
https://www.readbyqxmd.com/read/27933939/role-of-hydration-layer-in-dynamical-transition-in-proteins-insights-from-translational-self-diffusivity
#16
Prithwish K Nandi, Niall J English
Elucidation of the role of hydration water underpinning dynamical crossover in proteins has proven challenging. Indeed, many contradictory findings in the literature seek to establish either causal or correlative links between water and protein behavior. Here, via molecular dynamics, we compute the temperature dependence of mean-square displacement and translational self-diffusivities for both hen egg white lysozyme and its hydration layer from 190 to 300 K. We find that the protein's mobility increases sharply at ∼230 K, indicating dynamical onset; concerted motion with hydration-water molecules is evident up to ∼285 K, confirming dynamical correlation between them...
December 1, 2016: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/27921106/quantum-and-classical-inter-cage-hopping-of-hydrogen-molecules-in-clathrate-hydrate-temperature-and-cage-occupation-effects
#17
Christian J Burnham, Zdenek Futera, Niall J English
Building on our previous work (J. Phys. Chem. C, 2016, 120, 16561), using an empirical model we run both classical and path-integral molecular dynamics simulations for a type II clathrate hydrate containing different amounts of guest H2 molecules from 1 to 5 molecules per large cage, with results presented at temperatures of 50, 100 K and 200 K. We present results for the density isosurfaces of the guest molecules at all different occupations and temperatures, showing how the density approaches the perfect tetrahedral structure which has been found for the n = 4 case in which each molecule sits on the vertex of a tetrahedron about the centre of each large cage...
December 21, 2016: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/27914908/association-between-ventilatory-settings-and-development-of-acute-respiratory-distress-syndrome-in-mechanically-ventilated-patients-due-to-brain-injury
#18
Eva Tejerina, Paolo Pelosi, Alfonso Muriel, Oscar Peñuelas, Yuda Sutherasan, Fernando Frutos-Vivar, Nicolás Nin, Andrew R Davies, Fernando Rios, Damian A Violi, Konstantinos Raymondos, Javier Hurtado, Marco González, Bin Du, Pravin Amin, Salvatore M Maggiore, Arnaud W Thille, Marco Antonio Soares, Manuel Jibaja, Asisclo J Villagomez, Michael A Kuiper, Younsuck Koh, Rui P Moreno, Amine Ali Zeggwagh, Dimitrios Matamis, Antonio Anzueto, Niall D Ferguson, Andrés Esteban
PURPOSE: In neurologically critically ill patients with mechanical ventilation (MV), the development of acute respiratory distress syndrome (ARDS) is a major contributor to morbidity and mortality, but the role of ventilatory management has been scarcely evaluated. We evaluate the association of tidal volume, level of PEEP and driving pressure with the development of ARDS in a population of patients with brain injury. MATERIALS AND METHODS: We performed a secondary analysis of a prospective, observational study on mechanical ventilation...
November 18, 2016: Journal of Critical Care
https://www.readbyqxmd.com/read/27913310/targeted-disruption-of-the-orphan-receptor-gpr151-does-not-alter-pain-related-behaviour-despite-a-strong-induction-in-dorsal-root-ganglion-expression-in-a-model-of-neuropathic-pain
#19
Fiona E Holmes, Niall Kerr, Ying-Ju Chen, Penny Vanderplank, Craig A McArdle, David Wynick
BACKGROUND: Gpr151 is an orphan GPCR whose function is unknown. The restricted pattern of neuronal expression in the habenula, dorsal horn of the spinal cord and dorsal root ganglion plus homology with the galanin family of receptors imply a role in nociception. RESULTS: Real-time quantitative RT-PCR demonstrated a 49.9±2.9 fold highly significant (P<0.001) increase in Gpr151 mRNA expression in the dorsal root ganglion 7days after the spared nerve injury model of neuropathic pain...
January 2017: Molecular and Cellular Neurosciences
https://www.readbyqxmd.com/read/27908112/oscillating-electric-field-effects-on-adsorbed-water-at-rutile-and-anatase-tio2-surfaces
#20
Zdenek Futera, Niall J English
We have performed non-equilibrium molecular dynamics simulations of various TiO2/water interfaces at ambient temperature in presence of oscillating electric fields in frequency range 20-100 GHz and RMS intensities 0.05-0.25 V/Å. Although the externally applied fields are by one order of magnitude lower than the intrinsic electric field present on the interfaces (∼1.5-4.5 V/Å), significant non-thermal coupling of rotational and translational motion of water molecules was clearly observed. Enhancement of the motion, manifested by increase of diffusivity, was detected in the first hydration layer, which is known to be heavily confined by adsorption to the TiO2 surface...
November 28, 2016: Journal of Chemical Physics
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