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https://www.readbyqxmd.com/read/28934799/factors-influencing-the-application-of-a-biopsychosocial-perspective-in-clinical-judgement-of-chronic-pain-interactive-management-with-medical-students
#1
Christopher P Dwyer, Phoebe E McKenna-Plumley, Hannah Durand, Emer M Gormley, Brian W Slattery, Owen M Harney, Padraig MacNeela, Brian E McGuire
BACKGROUND: Though there is wide support for the application of biopsychosocial perspectives in clinical judgement of chronic pain cases, such perspectives are often overlooked due to either inadequate training or attitudes favoring a biomedical approach. Recent research has indicated that despite such explanations, both established general practitioners (GP) and medical students account for some psychosocial factors when making clinical judgements regarding chronic pain cases, but report not being likely to apply these in real-world, clinical settings due to numerous factors, including available time with patients...
September 2017: Pain Physician
https://www.readbyqxmd.com/read/28934631/picometer-scale-atom-position-analysis-in-annular-bright-field-stem-imaging
#2
Peng Gao, Akihito Kumamoto, Ryo Ishikawa, Nathan Lugg, Naoya Shibata, Yuichi Ikuhara
We study the effects of specimen mistilt on the picometer-scale measurement of local structure by combing experiment and simulation in annular bright-field scanning transmission electron microscopy (ABF-STEM). A relative distance measurement method is proposed to separate the tilt effects from the scan noise and sample drift induced image distortion. We find that under a typical experimental condition a small specimen tilt (∼6 mrad) in 25 nm thick SrTiO3 along [001] causes 11.9 pm artificial displacement between O and Sr/TiO columns in ABF image, which is more than 3 times of scan noise and sample drift induced image distortion ∼3...
September 11, 2017: Ultramicroscopy
https://www.readbyqxmd.com/read/28934482/mechanistic-insight-into-how-multidrug-resistant-acinetobacter-baumannii-response-regulator-ader-recognizes-an-intercistronic-region
#3
Yurong Wen, Zhenlin Ouyang, Yue Yu, Xiaorong Zhou, Yingmei Pei, Bart Devreese, Paul G Higgins, Fang Zheng
AdeR-AdeS is a two-component regulatory system, which controls expression of the adeABC efflux pump involved in Acinetobacter baumannii multidrug resistance. AdeR is a response regulator consisting of an N-terminal receiver domain and a C-terminal DNA-binding-domain. AdeR binds to a direct-repeat DNA in the intercistronic region between adeR and adeABC. We demonstrate a markedly high affinity binding between unphosphorylated AdeR and DNA with a dissociation constant of 20 nM. In addition, we provide a 2.75 Å crystal structure of AdeR DNA-binding-domain complexed with the intercistronic DNA...
September 19, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28934148/tomato-leaf-curl-new-delhi-virus-an-emerging-virus-complex-threatening-vegetable-and-fiber-crops
#4
REVIEW
Enrique Moriones, Shelly Praveen, Supriya Chakraborty
The tomato leaf curl New Delhi virus (ToLCNDV) (genus Begomovirus, family Geminiviridae) represents an important constraint to tomato production, as it causes the most predominant and economically important disease affecting tomato in the Indian sub-continent. However, in recent years, ToLCNDV has been fast extending its host range and spreading to new geographical regions, including the Middle East and the western Mediterranean Basin. Extensive research on the genome structure, protein functions, molecular biology, and plant-virus interactions of ToLCNDV has been conducted in the last decade...
September 21, 2017: Viruses
https://www.readbyqxmd.com/read/28934144/the-recognition-of-calmodulin-to-the-target-sequence-of-calcineurin-a-novel-binding-mode
#5
Chia-Lin Chyan, Deli Irene, Sin-Mao Lin
Calcineurin (CaN) is a Ca(2+)/calmodulin-dependent Ser/Thr protein phosphatase, which plays essential roles in many cellular and developmental processes. CaN comprises two subunits, a catalytic subunit (CaN-A, 60 kDa) and a regulatory subunit (CaN-B, 19 kDa). CaN-A tightly binds to CaN-B in the presence of minimal levels of Ca(2+), but the enzyme is inactive until activated by CaM. Upon binding to CaM, CaN then undergoes a conformational rearrangement, the auto inhibitory domain is displaced and thus allows for full activity...
September 21, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28934103/investigating-the-interaction-of-cyclic-rgd-peptidomimetics-with-%C3%AE-v%C3%AE-%C3%A2-integrin-by-biochemical-and-molecular-docking-studies
#6
Monica Civera, Daniela Arosio, Francesca Bonato, Leonardo Manzoni, Luca Pignataro, Simone Zanella, Cesare Gennari, Umberto Piarulli, Laura Belvisi
The interaction of a small library of cyclic RGD (Arg-Gly-Asp) peptidomimetics with αVβ₆ integrin has been investigated by means of competitive solid phase binding assays to the isolated receptor and docking calculations in the crystal structure of the αVβ₆ binding site. To this aim, a rigid receptor-flexible ligand docking protocol has been set up and then applied to predict the binding mode of the cyclic RGD peptidomimetics to αVβ₆ integrin. Although the RGD interaction with αVβ₆ recapitulates the RGD binding mode observed in αVβ₃, differences between the integrin binding pockets can strongly affect the ligand binding ability...
September 21, 2017: Cancers
https://www.readbyqxmd.com/read/28933854/epigenetic-dna-modification-n6-methyladenine-causes-site-specific-rna-polymerase-ii-transcriptional-pausing
#7
Wei Wang, Liang Xu, Lulu Hu, Jenny Chong, Chuan He, Dong Wang
N6-methyladenine (N6-mA or 6mA) is an epigenetic DNA modification in eukaryotic genomes. In contrast to the well-established roles of 5-methylcytosine for epigenetic regulation of gene expression, the functional roles of N6-mA remain elusive. In particular, the impact of N6-mA modification at DNA template on RNA polymerase II (pol II) transcription elongation is not known. In this work, using the Saccharomyces cerevisiae pol II transcriptional elongation system as a model, we investigated the molecular mechanism of pol II recognition and processing of N6-mA sites via both biochemical and structural approaches...
September 21, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28933844/mind-the-metal-a-fragment-library-derived-zinc-impurity-binds-the-e2-ubiquitin-conjugating-enzyme-ube2t-and-induces-structural-rearrangements
#8
Francesca E Morreale, Andrea Testa, Viduth K Chaugule, Alessio Bortoluzzi, Alessio Ciulli, Helen Walden
Efforts to develop inhibitors, activators and effectors of biological reactions using small molecule libraries are often hampered by interference compounds, artifacts and false positives that permeate the pool of initial hits. Here we report the discovery of a promising initial hit compound targeting the Fanconi anemia ubiquitin-conjugating enzyme Ube2T and describe its biophysical and biochemical characterization. Analysis of the co-crystal structure led to the identification of a contaminating zinc ion as solely responsible for the observed effects...
September 21, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28933746/evaluation-of-novel-dual-acetyl-and-butyrylcholinesterase-inhibitors-as-potential-anti-alzheimer-s-disease-agents-using-pharmacophore-3d-qsar-and-molecular-docking-approaches
#9
Xiaocong Pang, Hui Fu, Shilun Yang, Lin Wang, Ai-Lin Liu, Song Wu, Guan-Hua Du
DL0410, containing biphenyl and piperidine skeletons, was identified as an acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitor through high-throughput screening assays, and further studies affirmed its efficacy and safety for Alzheimer's disease treatment. In our study, a series of novel DL0410 derivatives were evaluated for inhibitory activities towards AChE and BuChE. Among these derivatives, compounds 6-1 and 7-6 showed stronger AChE and BuChE inhibitory activities than DL0410. Then, pharmacophore modeling and three-dimensional quantitative structure activity relationship (3D-QSAR) models were performed...
July 26, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28933674/critical-healthcare-management-studies-green-shoots
#10
Martin Kitchener, Aoife M McDermott, Simon Cooper
Purpose While critical approaches have enriched research in proximate fields, their impact has been less marked in studies of healthcare management. In response, the 2016 Organizational Behaviour in Health Care Conference hosted its first-ever session dedicated to the emergent field of critical healthcare management studies (CHMSs). The purpose of this paper is to present five papers selected from that conference. Design/methodology/approach In this introductory paper, the authors frame the contributions as "green shoots" in a field of CHMS which contains four main furrows of activity: questioning the taken-for-granted; moving beyond instrumentalism; reflexivity and meanings in research; and challenging structures of domination (Kitchener and Thomas, 2016)...
August 21, 2017: Journal of Health Organization and Management
https://www.readbyqxmd.com/read/28933647/identification-of-regions-responsible-for-the-function-of-the-plant-k-channels-kat1-and-akt2-in-saccharomyces-cerevisiae-and-xenopus-laevis-oocytes
#11
Shunya Saito, Naomi Hoshi, Lalu Zulkifli, Sri Widyastuti, Shinobu Goshima, Ingo Dreyer, Nobuyuki Uozumi
The Arabidopsis K(+) channel KAT1 complements in K(+)-limited medium the growth of the K(+) uptake defective Saccharomyces cerevisiae mutant strain CY162, while another K(+) channel, AKT2, does not. To gain insight into the structural basis for this difference, we constructed 12 recombinant chimeric channels from these two genes. When expressed in CY162, only three of these chimeras fully rescued the growth of CY162 under K(+)-limited conditions. We conclude that the transmembrane core region of KAT1 is important for its activity in S...
September 21, 2017: Channels
https://www.readbyqxmd.com/read/28933556/the-assembly-behavior-of-organically-interlinked-gold-nanoparticle-composite-films-a-quartz-crystal-microbalance-investigation
#12
Yelyena Daskal, Tina Tauchnitz, Frederic Güth, Rosemarie Dittrich, Yvonne Joseph
Thin films based on dodecylamine stabilized gold nanoparticles interlinked with different organic molecules are prepared by automatic layer-by-layer self-assembly in a microfluidic quartz crystal microbalance (QCM) cell, to obtain an in-situ insight on the film formation by ligand/linker exchange reactions. The influence of interlinking functional groups and the length of the organic linker molecule on assembly behavior is investigated. Namely alkyldithiols with different lengths are compared to alkyldiamines and alkylbisdithiocarbamates with a C8 alkylic molecular backbone...
September 21, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28933553/bromide-photo-oxidation-sensitized-to-visible-light-in-consecutive-ion-pairs
#13
Guocan Li, Wesley B Swords, Gerald J Meyer
The titration of bromide into a [Ru(deeb)(bpz)2]2+ (Ru2+, deeb = 4,4'-diethylester-2,2'-bipyridine; bpz = 2,2'-bipyrazine) dichloromethane solution led to the formation of two consecutive ion-paired species, [Ru2+, Br]+ and [Ru2+, 2Br], each with distinct photophysical and electron transfer properties. Formation of the first ion pair was stoichiometric, Keq1 > 106 M1, and the second ion-pair equilibrium was estimated to be Keq2 = 2.4 ± 0.4  105 M‒1. The 1H NMR spectra recorded in deuterated dichloromethane indicated the presence of contact ion-pairs and provided insights into their structures that were complimented by density functional theory calculations...
September 21, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28932996/what-hinders-electron-transfer-dissociation-etd-of-dna-cations
#14
Yvonne Hari, Christian J Leumann, Stefan Schürch
Radical activation methods, such as electron transfer dissociation (ETD), produce structural information complementary to collision-induced dissociation. Herein, electron transfer dissociation of 3-fold protonated DNA hexamers was studied to gain insight into the fragmentation mechanism. The fragmentation patterns of a large set of DNA hexamers confirm cytosine as the primary target of electron transfer. The reported data reveal backbone cleavage by internal electron transfer from the nucleobase to the phosphate linker leading either to a•/w or d/z• ion pairs...
September 20, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28932924/when-gis-zooms-in-spatio-genetic-maps-of-multipaternity-in-armadillidium-vulgare
#15
Nicolas Bech, Charlotte Depeux, Sylvine Durand, Catherine Debenest, Alexandra Lafitte, Sophie Beltran-Bech
Geographic information system (GIS) tools are designed to illustrate, analyse and integrate geographic or spatial data, usually on a macroscopic scale. By contrast, genetic tools focus on a microscopic scale. Because in reality, landscapes have no predefined scale, our original study aims to develop a new approach, combining both cartographic and genetic approaches to explore microscopic landscapes. For this, we focused on Armadillidium vulgare, a terrestrial isopod model in which evolutionary pressures imposed by terrestrial life have led to the development of internal fertilisation and, consequently, to associated physiological changes...
September 20, 2017: Genetica
https://www.readbyqxmd.com/read/28932739/agonist-binding-to-chemosensory-receptors-a-systematic-bioinformatics-analysis
#16
Fabrizio Fierro, Eda Suku, Mercedes Alfonso-Prieto, Alejandro Giorgetti, Sven Cichon, Paolo Carloni
Human G-protein coupled receptors (hGPCRs) constitute a large and highly pharmaceutically relevant membrane receptor superfamily. About half of the hGPCRs' family members are chemosensory receptors, involved in bitter taste and olfaction, along with a variety of other physiological processes. Hence these receptors constitute promising targets for pharmaceutical intervention. Molecular modeling has been so far the most important tool to get insights on agonist binding and receptor activation. Here we investigate both aspects by bioinformatics-based predictions across all bitter taste and odorant receptors for which site-directed mutagenesis data are available...
2017: Frontiers in Molecular Biosciences
https://www.readbyqxmd.com/read/28932459/crystal-structure-determination-as-part-of-an-ongoing-undergraduate-organic-laboratory-project-5-e-styr-yl-1-3-4-oxa-thia-zol-2-one
#17
Trevor R Nason, Melbourne J Schriver, Arthur D Hendsbee, Jason D Masuda
The title compound, C10H7NO2S, provides the first structure of an α-alkenyl oxa-thia-zolone ring. The phenyl ring and the oxa-thia-zolone groups make dihedral angles of 0.3 (3) and -2.8 (3)°, respectively, with the plane of the central alkene group; the dihedral angle between the rings is 2.68 (8)°. A careful consideration of bond lengths provides insight into the electronic structure and reactivity of the title compound. In the crystal, extended π-stacking is observed parallel to the a-axis direction, consisting of cofacial head-to-tail dimeric units [centroid-centroid distance of 3...
September 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28932233/three-key-sub-leaf-modules-and-the-diversity-of-leaf-designs
#18
Le Li, Zeqing Ma, Ülo Niinemets, Dali Guo
Earth harbors a highly diverse array of plant leaf forms. A well-known pattern linking diverse leaf forms with their photosynthetic function across species is the global leaf economics spectrum (LES). However, within homogeneous plant functional groups such as tropical woody angiosperms or temperate deciduous woody angiosperms, many species can share a similar position in the LES but differ in other vital leaf traits, and thus function differently under the given suite of environmental drivers. How diverse leaves differentiate from each other has yet to be fully explained...
2017: Frontiers in Plant Science
https://www.readbyqxmd.com/read/28931954/structure-of-the-solar-photosphere-studied-from-the-radiation-hydrodynamics-code-antares
#19
P Leitner, B Lemmerer, A Hanslmeier, T Zaqarashvili, A Veronig, H Grimm-Strele, H J Muthsam
The ANTARES radiation hydrodynamics code is capable of simulating the solar granulation in detail unequaled by direct observation. We introduce a state-of-the-art numerical tool to the solar physics community and demonstrate its applicability to model the solar granulation. The code is based on the weighted essentially non-oscillatory finite volume method and by its implementation of local mesh refinement is also capable of simulating turbulent fluids. While the ANTARES code already provides promising insights into small-scale dynamical processes occurring in the quiet-Sun photosphere, it will soon be capable of modeling the latter in the scope of radiation magnetohydrodynamics...
2017: Astrophysics and Space Science
https://www.readbyqxmd.com/read/28931750/adrenal-gipr-expression-and-chromosome-19q13-microduplications-in-gip-dependent-cushing-s-syndrome
#20
Anne-Lise Lecoq, Constantine A Stratakis, Say Viengchareun, Ronan Chaligné, Lucie Tosca, Vianney Deméocq, Mirella Hage, Annabel Berthon, Fabio R Faucz, Patrick Hanna, Hadrien-Gaël Boyer, Nicolas Servant, Sylvie Salenave, Gérard Tachdjian, Clovis Adam, Vanessa Benhamo, Eric Clauser, Anne Guiochon-Mantel, Jacques Young, Marc Lombès, Isabelle Bourdeau, Dominique Maiter, Antoine Tabarin, Jérôme Bertherat, Hervé Lefebvre, Wouter de Herder, Estelle Louiset, André Lacroix, Philippe Chanson, Jérôme Bouligand, Peter Kamenický
GIP-dependent Cushing's syndrome is caused by ectopic expression of glucose-dependent insulinotropic polypeptide receptor (GIPR) in cortisol-producing adrenal adenomas or in bilateral macronodular adrenal hyperplasias. Molecular mechanisms leading to ectopic GIPR expression in adrenal tissue are not known. Here we performed molecular analyses on adrenocortical adenomas and bilateral macronodular adrenal hyperplasias obtained from 14 patients with GIP-dependent adrenal Cushing's syndrome and one patient with GIP-dependent aldosteronism...
September 21, 2017: JCI Insight
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