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Ali Hasnain, Qaiser Mehmood, Syeda Sana E Zainab, Muhammad Saleem, Claude Warren, Durre Zehra, Stefan Decker, Dietrich Rebholz-Schuhmann
BACKGROUND: Biomedical data, e.g. from knowledge bases and ontologies, is increasingly made available following open linked data principles, at best as RDF triple data. This is a necessary step towards unified access to biological data sets, but this still requires solutions to query multiple endpoints for their heterogeneous data to eventually retrieve all the meaningful information. Suggested solutions are based on query federation approaches, which require the submission of SPARQL queries to endpoints...
March 15, 2017: Journal of Biomedical Semantics
S Chadokufa, S Sider, B Huggett, T Sawney, N Shah, M Baycheva, A Zambrano Perez, N Acton, F Kiparissi
No abstract text is available yet for this article.
February 1, 2017: Journal of Crohn's & Colitis
A Zambrano Perez, M Elawad, F Kiparissi, N Shah, S Chadokufa, S Sider, B Huggett
No abstract text is available yet for this article.
February 1, 2017: Journal of Crohn's & Colitis
R Shergill-Bonner, A Zambrano Perez, N Acton, S Chadokufa, B Huggett, F Kiparissi, M Baycheva, N Shah, S Sider
No abstract text is available yet for this article.
February 1, 2017: Journal of Crohn's & Colitis
S Chadokufa, M Baycheva, T Sawney, N Acton, S Sider, N Shah, B Huggett, R Dziubak, F Kiparrissi
No abstract text is available yet for this article.
February 1, 2017: Journal of Crohn's & Colitis
Min-Chuan Shih, Shao-Sian Li, Cheng-Hua Hsieh, Ying-Chiao Wang, Hung-Duen Yang, Ya-Ping Chiu, Chia-Seng Chang, Chun-Wei Chen
The presence of the PbI2 passivation layers at perovskite crystal grains has been found to considerably affect the charge carrier transport behaviors and device performance of perovskite solar cells. This work demonstrates the application of a novel light-modulated scanning tunneling microscopy (LM-STM) technique to reveal the interfacial electronic structures at the heterointerfaces between CH3NH3PbI3 perovskite crystals and PbI2 passivation layers of individual perovskite grains under light illumination. Most importantly, this technique enabled the first observation of spatially resolved mapping images of photoinduced interfacial band bending of valence bands and conduction bands and the photogenerated electron and hole carriers at the heterointerfaces of perovskite crystal grains...
January 23, 2017: Nano Letters
Suehyun Lee, Jiyeob Choi, Hun-Sung Kim, Grace Juyun Kim, Kye Hwa Lee, Chan Hee Park, Jongsoo Han, Dukyong Yoon, Man Young Park, Rae Woong Park, Hye-Ryun Kang, Ju Han Kim
OBJECTIVE: We propose 2 Medical Dictionary for Regulatory Activities-enabled pharmacovigilance algorithms, MetaLAB and MetaNurse, powered by a per-year meta-analysis technique and improved subject sampling strategy. MATRIALS AND METHODS: This study developed 2 novel algorithms, MetaLAB for laboratory abnormalities and MetaNurse for standard nursing statements, as significantly improved versions of our previous electronic health record (EHR)-based pharmacovigilance method, called CLEAR...
January 13, 2017: Journal of the American Medical Informatics Association: JAMIA
Zhen Gao, Yang Chen, Xiaoshu Cai, Rong Xu
MOTIVATION: Blood-Brain-Barrier (BBB) is a rigorous permeability barrier for maintaining homeostasis of Central Nervous System (CNS). Determination of compound's permeability to BBB is prerequisite in CNS drug discovery. Existing computational methods usually predict drug BBB permeability from chemical structure and they generally apply to small compounds passing BBB through passive diffusion. As abundant information on drug side effects and indications has been recorded over time through extensive clinical usage, we aim to explore BBB permeability prediction from a new angle and introduce a novel approach to predict BBB permeability from drug clinical phenotypes (drug side effects and drug indications)...
December 19, 2016: Bioinformatics
P Koleva, N Petrova, S Krumova, V Velikova, I Aneva, L Evstatieva, E Wolfram, K Danova
No abstract text is available yet for this article.
December 2016: Planta Medica
Sarva Santhisudha, Tellamekala Sreekanth, Sudileti Murali, Bathal Vijaya Kumar, Meruva Anila Devi, Cirandur Suresh Reddy
BACKGROUND: One of the alarming difficulties in the field of hematology is the Coagulant disorders. Despite the availability of clinically proven existing anticoagulants, their limitations have prompted a continuous search for novel anticoagulants. OBJECTIVE: The primary objective of the study is to synthesize a series of 2-amino-4H-chromen-4-ylphosphonate derivatives and to test their anticoagulant activity depending on PT measurements con-sidering commercial heparin as positive control...
December 4, 2016: Cardiovascular & Hematological Agents in Medicinal Chemistry
Mykola Mylenko, Sebastian Boland, Sider Penkov, Julio L Sampaio, Benoit Lombardot, Daniela Vorkel, Jean-Marc Verbavatz, Teymuras V Kurzchalia
The free-living soil nematode Caenorhabditis elegans adapts its development to the availability of food. When food is scarce and population density is high, worms enter a developmentally arrested non-feeding diapause stage specialized for long-term survival called the dauer larva. When food becomes available, they exit from the dauer stage, resume growth and reproduction. It has been postulated that compound(s) present in food, referred to as the "food signal", promote exit from the dauer stage. In this study, we have identified NAD+ as a component of bacterial extract that promotes dauer exit...
2016: PloS One
L Fusar-Poli, M Rocchetti, M Garda, P Politi
No abstract text is available yet for this article.
April 2017: Epidemiology and Psychiatric Sciences
Ryan Eshleman, Rahul Singh
BACKGROUND: Adverse drug events (ADEs) constitute one of the leading causes of post-therapeutic death and their identification constitutes an important challenge of modern precision medicine. Unfortunately, the onset and effects of ADEs are often underreported complicating timely intervention. At over 500 million posts per day, Twitter is a commonly used social media platform. The ubiquity of day-to-day personal information exchange on Twitter makes it a promising target for data mining for ADE identification and intervention...
October 6, 2016: BMC Bioinformatics
Ísmail Çelik, Cem Cüneyt Ersanlı, Rahmi Köseoğlu, Hüseyin Akşit, Ramazan Erenler, Ibrahim Demirtaş, Mehmet Akkurt
The asymmetric unit of the title compound, C20H34O2, contains two crystallographically independent mol-ecules (1 and 2) with similar conformations. In both mol-ecules, the cyclo-hexane rings adopt a chair conformation, while the oxane rings are also puckered. In the crystal, O-H⋯O hydrogen bonds connect adjacent mol-ecules, forming C(6) helical chains located around a 21 screw axis and running along the crystallographic a axis. The packing of these chains is governed only by van der Waals inter-actions. Semi-empirical PM3 quantum chemical calculations are in a satisfactory agreement with the structural results of the X-ray structure analysis...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Gisele Almeida Batista, Aglécio Luiz de Souza, Daniela Miguel Marin, Marina Sider, Vaneska Carvalho Melhado, Arlete Maria Fernandes, Sarah Monte Alegre
Objective: The aim of this study was to evaluate for 12 months the changes of body weight using Depot Medroxyprogesterone Acetate (DMPA) and if these changes are related to inflammatory markers. Subjects and methods: Twenty women of childbearing age who chose the DMPA, without previous use of this method, BMI < 30 kg/m2, and 17 women using IUD TCu 380A, participated in the study. At the baseline and after one year, changes in weight gain, body composition by the bioimpedance electric method, resting energy expenditure (REE) by the indirect calorimetry method, inflammatory markers and HOMA-IR were assessed...
January 2017: Archives of Endocrinology and Metabolism
Francesca Parisi, Cristiana Berti, Chiara Mandò, Anna Martinelli, Cristina Mazzali, Irene Cetin
PURPOSE: Iron supplementation is associated with side effects and overload risk. We compared different regimens of iron supplementation on maternal hematological status and pregnancy outcome in a cohort of healthy pregnant women. MATERIALS AND METHODS: Eighty non-anemic women with a normal singleton pregnancy were recruited at 11-13 weeks and randomized into controls (C; n = 20) and groups supplemented with ferrous iron 30 mg (FI; n = 20), liposomal iron 14 mg (Sideral® Pharmanutra, Pisa PI, Italy) (LI14; n = 20) and liposomal iron 28 mg/daily (LI28; n = 20) up to 6 weeks post-partum...
September 2, 2016: Journal of Maternal-fetal & Neonatal Medicine
Cheng Lu, Gerhard Stock, Volker Knecht
A local perturbation of a protein may lead to functional changes at some distal site, a phenomenon denoted as allostery. Here we study the allosteric control of a protease using molecular dynamics simulations. The system considered is the bacterial protein DegS which includes a protease domain activated upon ligand binding to an adjacent PDZ domain. Starting from crystallographic structures of DegS homo-trimers, we perform simulations of the ligand-free and -bound state of DegS at equilibrium. Con- sidering a single protomer only, the trimeric state was mimicked by applying restraints on the residues in contact with other protomers in the DegS trimer...
August 24, 2016: Proteins
Alessandro Venditti, Armandodoriano Bianco, Claudio Frezza, Mauro Serafini, Ginevra Giacomello, Claudia Giuliani, Massimo Bramucci, Luana Quassinti, Giulio Lupidi, Domenico Lucarini, Fabrizio Papa, Filippo Maggi
Sideritis montana subsp. montana is a small annual herb occurring in countries bordering the Mediterranean and Balkan regions. The secondary metabolism of this plant has not been fully explored so far. The aim of the present study was to understand the complex mixture of secondary metabolites and the type of secretory structures. The polar constituents were isolated by column chromatography from the ethanolic extract, and their structure was elucidated by NMR and MS. The essential oil was isolated by hydrodistillation and analysed by GC/MS...
October 2016: Chemistry & Biodiversity
Mário Edson Santos de Sousa, Marcos Allan L dos Reis, Jordan Del Nero
In this paper, we present a study based on extended Hückel (ETH) and the Green function of the electron transport in a graphenenanoribbon with a nanopore oxidized in the middle. We con- sider several types of oxidation:hydroxyl, carboxyl and ketone groups adsorbed in edges, pore and surface of the riddon. The results indicate that nanoribbons with medium and high oxidation are more thermally stable than the low oxidation nanoribon that shows greater sensitivity at 120 °C. Finally, Ohmic and Negative Differential Resistance (NDR) were obtained from I(V) curves, thus was possible determine the current peaks and threshold voltages (V(Th1) < V(Th2) < V(Th3) < V(Th4)), which correspond to quantum transport of the nanoribbon not oxidized, high-oxy, med-oxy and low-oxy, respectively, so creating two nanoconstrictions as well as two regions of quantum confinement...
January 2016: Journal of Nanoscience and Nanotechnology
Sümeyye Sahin, Volker Eulenburg, Wolfgang Kreis, Carmen Villmann, Monika Pischetsrieder
Potentiation of γ-amino butyric acid (GABA)-induced GABAA receptor (GABAAR) activation is a common pathway to achieve sedative, sleep-enhancing, anxiolytic, and antidepressant effects. Presently, a three-component test system was established for the identification of novel GABAAR modulating food plants. In the first step, potentiation of GABA-induced response of the GABAAR was analysed by two-electrode voltage clamp (TEVC) for activity on human α1β2-GABAAR expressed in Xenopus laevis oocytes. Positively tested food plants were then subjected to quantification of GABA content by high-performance liquid chromatography with fluorescence detection (HPLC-FLD) to exclude test foods, which evoke a TEVC-response by endogenous GABA...
December 2016: Plant Foods for Human Nutrition
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