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https://www.readbyqxmd.com/read/29151260/the-first-case-of-locked-in-leaflet-after-transcatheter-aortic-valve-replacement-in-a-patient-with-bicuspid-aortic-stenosis
#1
Nao Shibata, Kensuke Matsumoto, Takayoshi Toba, Shumpei Mori, Shinsuke Shimoyama, Hidekazu Tanaka, Toshiro Shinke, Ken-Ichi Hirata
This case report is about an 85-year-old woman with bicuspid aortic stenosis (AS). Although preoperative multimodality imaging showed challenging anatomical aspects, transcatheter aortic valve replacement (TAVR) was selected to be performed as a less invasive alternative treatment approach, owing to her comorbidity. Postoperative transesophageal echocardiography and multidetector-row computed tomography revealed the presence of "locked-in leaflet" caused by stent distortion due to pinching by calcified native leaflets, with nodular calcification preventing the full expansion of the valve, which resulted in moderate perivalvular leakage...
November 19, 2017: Echocardiography
https://www.readbyqxmd.com/read/29151259/exat-excitonic-analysis-tool
#2
Sandro Jurinovich, Lorenzo Cupellini, Ciro A Guido, Benedetta Mennucci
We introduce EXcitonic Analysis Tool (EXAT), a program able to compute optical spectra of large excitonic systems directly from the output of quantum mechanical calculations performed with the popular Gaussian 16 package. The software is able to combine in an excitonic scheme the single-chromophore properties and exciton couplings to simulate energies, coefficients, and excitonic spectra (UV-vis, CD, and LD). The effect of the environment can also be included using a Polarizable Continuum Model. EXAT also presents a simple graphical user interface, which shows on-screen both site and exciton properties...
November 19, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/29151246/fluorescent-benzocoumarin-%C3%AF-extended-styryl-hybrids-solvatochromism-excess-dipole-moment-nlo-properties-and-dft-study
#3
Umesh Warde, Nagaiyan Sekar
Four benzo[h]chromen-3-yl)ethylidene) malononitrilestyryl hybrid dyes are presented for their potential non-linear optical properties using solvatochromism and density functional theory. The dyes are characterized by (1)H and (13)C NMR and elemental analysis. They have different donor and same acceptor as dicyanovinyl coumarin. Absorption and emission properties are highly dependent on substituents and environment. Dyes 3a and 3c show absorption solvatochromism while 3b and 3d show emission solvatochromism...
November 18, 2017: Journal of Fluorescence
https://www.readbyqxmd.com/read/29151218/structures-of-dynamic-protein-complexes-hybrid-techniques-to-study-map-kinase-complexes-and-the-escrt-system
#4
Wolfgang Peti, Rebecca Page, Evzen Boura, Bartosz Różycki
The integration of complementary molecular methods (including X-ray crystallography, NMR spectroscopy, small angle X-ray/neutron scattering, and computational techniques) is frequently required to obtain a comprehensive understanding of dynamic macromolecular complexes. In particular, these techniques are critical for studying intrinsically disordered protein regions (IDRs) or intrinsically disordered proteins (IDPs) that are part of large protein:protein complexes. Here, we explain how to prepare IDP samples suitable for study using NMR spectroscopy, and describe a novel SAXS modeling method (ensemble refinement of SAXS; EROS) that integrates the results from complementary methods, including crystal structures and NMR chemical shift perturbations, among others, to accurately model SAXS data and describe ensemble structures of dynamic macromolecular complexes...
2018: Methods in Molecular Biology
https://www.readbyqxmd.com/read/29151159/enhanced-catalytic-efficiency-and-enantioselectivity-of-epoxide-hydrolase-from-agrobacterium-radiobacter-ad1-by-iterative-saturation-mutagenesis-for-r-epichlorohydrin-synthesis
#5
Shu-Ping Zou, Yu-Guo Zheng, Qun Wu, Zhi-Cai Wang, Ya-Ping Xue, Zhi-Qiang Liu
Enantioselective hydrolysis of epoxides by epoxide hydrolase (EH) is one of the most attractive approaches for the synthesis of chiral epoxides. So far, attempts to develop an efficient epoxide hydrolase -mediated biotransformation have been limited by either the low activity or insufficient enantioselectivity of epoxide hydrolase. In this study, iterative saturation mutagenesis (ISM) of epoxide hydrolase from Agrobacterium radiobacter AD1 (ArEH) was performed for efficient production of (R)-epichlorohydrin...
November 18, 2017: Applied Microbiology and Biotechnology
https://www.readbyqxmd.com/read/29151126/nutritional-programming-of-bone-structure-in-male-offspring-by-maternal-consumption-of-citrus-flavanones
#6
Sandra M Sacco, Caitlin Saint, Paul J LeBlanc, Wendy E Ward
Maternal exposure to hesperidin (HSP) and naringin (NAR) during pregnancy and lactation transiently compromised bone mineral density (BMD) and bone structure at the proximal tibia in female CD-1 offspring. We examined whether maternal consumption of HSP + NAR during pregnancy and lactation compromises BMD, bone structure, and bone strength in male CD-1 offspring. Male CD-1 offspring, from mothers fed a control diet (CON, n = 10) or a 0.5% HSP + 0.25% NAR diet (HSP + NAR, n = 8) for 5 weeks before mating and throughout pregnancy and lactation, were weaned and fed CON until 6 months of age...
November 18, 2017: Calcified Tissue International
https://www.readbyqxmd.com/read/29150933/design-of-a-novel-continuous-flow-reactor-for-low-ph-viral-inactivation
#7
Stephanie A Parker, Linus Amarikwa, Kevin Vehar, Raquel Orozco, Scott Godfrey, Jon Coffman, Parviz Shamlou, Cameron L Bardliving
Insufficient mixing in laminar flow reactors due to diffusion-dominated flow limits their use in applications where narrow residence time distribution (RTD) is required. The aim of this study was to design and characterize a laminar flow (Re 187.7-375.5) tubular reactor for low pH viral inactivation with enhanced radial mixing via the incorporation of curvature and flow inversions. Towards this aim, the reactor described here, Jig in a Box (JIB), was designed with a flow path consisting of alternating 270° degree turns...
November 18, 2017: Biotechnology and Bioengineering
https://www.readbyqxmd.com/read/29150926/viral-short-orfs-and-their-possible-functions
#8
REVIEW
Yaara Finkel, Noam Stern-Ginossar, Michal Schwartz
Definition of functional genomic elements is one of the greater challenges of the genomic era. Traditionally, putative short Open Reading Frames (sORFs) coding for less than 100 amino acids were disregarded due to computational and experimental limitations, however it has become clear over the past several years that translation of sORFs is pervasive and serves diverse functions. The development of ribosome profiling, allowing identification of translated sequences genome-wide, revealed wide-spread, previously unidentified translation events...
November 18, 2017: Proteomics
https://www.readbyqxmd.com/read/29150809/molecular-properties-of-metal-difluorides-and-their-interactions-with-co2-and-h2o-molecules-a-dft-investigation
#9
Agnes Lincy Arokiyanathan, Senthilkumar Lakshmipathi
A computational study of metal difluorides (MF2; M = Ca to Zn) and their interactions with carbon dioxide and water molecules was performed. The structural parameter values obtained and the results of AIM analysis and energy decomposition analysis indicated that the Ca-F bond is weaker and less ionic than the bonds in the transition metal difluorides. A deformation density plot revealed the stablizing influence of the Jahn-Teller effect in nonlinear MF2 molecules (e.g., where M= Sc, Ti, Cr). An anaysis of the metal K-edge peaks of the difluorides showed that shifts in the edge energy were due to the combined effects of the ionicity, effective nuclear charge, and the spin state of the metal...
November 18, 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/29150765/finite-element-design-optimization-of-a-hyaluronic-acid-based-hydrogel-drug-delivery-device-for-improved-retention
#10
Jourdan Colter, Barbara Wirostko, Brittany Coats
Drug-loaded hydrogel devices are emerging as an effective means of localized and sustained drug delivery for the treatment of corneal conditions and injuries. One such device uses a novel, thiolated crosslinked carboxymethylated, hyaluronic acid-based hydrogel (CMHA-S) film to deliver drug to the ocular surface upon placement into the inferior fornix of the eye. While proven to be very safe and effective, the CMHA-S film tends to dislodge in the highly-lubricated ocular environment, thereby reducing drug delivery efficiency and drug efficacy...
November 17, 2017: Annals of Biomedical Engineering
https://www.readbyqxmd.com/read/29150721/adaptive-snp-set-association-testing-in-generalized-linear-mixed-models-with-application-to-family-studies
#11
Jun Young Park, Chong Wu, Saonli Basu, Matt McGue, Wei Pan
In genome-wide association studies (GWAS), it has been increasingly recognized that, as a complementary approach to standard single SNP analyses, it may be beneficial to analyze a group of functionally related SNPs together. Among the existent population-based SNP-set association tests, two adaptive tests, the aSPU test and the aSPUpath test, offer a powerful and general approach at the gene- and pathway-levels by data-adaptively combining the results across multiple SNPs (and genes) such that high statistical power can be maintained across a wide range of scenarios...
November 17, 2017: Behavior Genetics
https://www.readbyqxmd.com/read/29150710/computed-tomography-perfusion-is-a%C3%A2-useful-adjunct-to-computed-tomography-angiography-in-the-diagnosis-of-brain-death
#12
M Sawicki, J Sołek-Pastuszka, K Chamier-Ciemińska, A Walecka, J Walecki, R Bohatyrewicz
BACKGROUND: In the diagnosis of brain death (BD), computed tomography angiography (CTA) results in some cases show intracranial filling, leading to diagnostic confusion. Because cerebral circulatory arrest commences at the capillary level, we hypothesized that computed tomography perfusion (CTP) would be a more sensitive approach than CTA; therefore, the aim of the study was to compare the sensitivities of CTP and CTA in the diagnosis of BD. MATERIAL AND METHODS: Whole brain CTP was performed in patients in the intensive care unit diagnosed with BD and CTA was derived from CTP datasets...
November 17, 2017: Clinical Neuroradiology
https://www.readbyqxmd.com/read/29150695/new-angle-measurement-device-to-control-the-posterior-tibial-slope-angle-in-medial-opening-wedge-high-tibial-osteotomy
#13
Hiroyasu Ogawa, Kazu Matsumoto, Haruhiko Akiyama
INTRODUCTION: Medial opening wedge high tibial osteotomy has been associated with an unintentional increase in the posterior tibial slope angle. We aimed to evaluate the effectiveness of a novel bone spreader angle rod to maintain the native posterior tibial slope angle in medial opening wedge high tibial osteotomy. MATERIALS AND METHODS: Data from 92 consecutive knees in 83 patients who underwent medial opening wedge high tibial osteotomy for knee osteoarthritis between March 2015 and June 2016 were analysed...
November 17, 2017: Archives of Orthopaedic and Trauma Surgery
https://www.readbyqxmd.com/read/29150680/potential-landscape-of-high-dimensional-nonlinear-stochastic-dynamics-with-large-noise
#14
Ying Tang, Ruoshi Yuan, Gaowei Wang, Xiaomei Zhu, Ping Ao
Quantifying stochastic processes is essential to understand many natural phenomena, particularly in biology, including the cell-fate decision in developmental processes as well as the genesis and progression of cancers. While various attempts have been made to construct potential landscape in high dimensional systems and to estimate transition rates, they are practically limited to the cases where either noise is small or detailed balance condition holds. A general and practical approach to investigate real-world nonequilibrium systems, which are typically high-dimensional and subject to large multiplicative noise and the breakdown of detailed balance, remains elusive...
November 17, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29150649/non-empirical-atomistic-dipole-interaction-model-for-quantum-plasmon-simulation-of-nanoparticles
#15
Jaechang Lim, Sungwoo Kang, Jaewook Kim, Woo Youn Kim, Seol Ryu
Plasmonic nanoparticles in the quantum regime exhibit characteristic optical properties that cannot be described by classical theories. Time-dependent density functional theory (TDDFT) is rising as a versatile tool for study on such systems, but its application has been limited to very small clusters due to rapidly growing computational costs. We propose an atomistic dipole-interaction-model for quantum plasmon simulations as a practical alternative. Namely the atomic dipole approximation represents induced dipoles with atomic polarizabilities obtained from TDDFT without empirical parameters...
November 17, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29150626/constructing-genetic-networks-using-biomedical-literature-and-rare-event-classification
#16
Amira Al-Aamri, Kamal Taha, Yousof Al-Hammadi, Maher Maalouf, Dirar Homouz
Text mining has become an important tool in bioinformatics research with the massive growth in the biomedical literature over the past decade. Mining the biomedical literature has resulted in an incredible number of computational algorithms that assist many bioinformatics researchers. In this paper, we present a text mining system called Gene Interaction Rare Event Miner (GIREM) that constructs gene-gene-interaction networks for human genome using information extracted from biomedical literature. GIREM identifies functionally related genes based on their co-occurrences in the abstracts of biomedical literature...
November 17, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29150612/health-impact-of-e-cigarettes-a-prospective-3-5-year-study-of-regular-daily-users-who-have-never-smoked
#17
Riccardo Polosa, Fabio Cibella, Pasquale Caponnetto, Marilena Maglia, Umberto Prosperini, Cristina Russo, Donald Tashkin
Although electronic cigarettes (ECs) are a much less harmful alternative to tobacco cigarettes, there is concern as to whether long-term ECs use may cause risks to human health. We report health outcomes (blood pressure, heart rate, body weight, lung function, respiratory symptoms, exhaled breath nitric oxide [eNO], exhaled carbon monoxide [eCO], and high-resolution computed tomography [HRCT] of the lungs) from a prospective 3.5-year observational study of a cohort of nine daily EC users (mean age 29.7 (±6...
November 17, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29150346/aerodynamic-study-of-time-trial-helmets-in-cycling-racing-using-cfd-analysis
#18
F Beaumont, R Taiar, G Polidori, H Trenchard, F Grappe
The aerodynamic drag of three different time-trial cycling helmets was analyzed numerically for two different cyclist head positions. Computational Fluid Dynamics (CFD) methods were used to investigate the detailed airflow patterns around the cyclist for a constant velocity of 15 m/s without wind. The CFD simulations have focused on the aerodynamic drag effects in terms of wall shear stress maps and pressure coefficient distributions on the cyclist/helmet system. For a given head position, the helmet shape, by itself, obtained a weak effect on a cyclist's aerodynamic performance (<1...
November 8, 2017: Journal of Biomechanics
https://www.readbyqxmd.com/read/29150320/fractional-observer-to-estimate-periodical-forces
#19
A Coronel-Escamilla, J F Gómez-Aguilar, L Torres, R F Escobar-Jimnez, V H Olivares-Peregrino
In the present work we propose a fractional state observer with constant gain to estimate the periodical force exerted on a mechanical system by measuring only its displacement. The state observer is designed from both the Fourier series that approximates the periodical force and the equations of the damped harmonic oscillator that represents the behavior of the system. Specifically, the reconstruction of the force is carried out from the estimates of the series coefficients, which in fact are part of the dynamical system that composes the observer...
November 14, 2017: ISA Transactions
https://www.readbyqxmd.com/read/29150191/-big-data-generalities-and-integration-in-radiotherapy
#20
C Le Fèvre, L Poty, G Noël
The many advances in data collection computing systems (data collection, database, storage), diagnostic and therapeutic possibilities are responsible for an increase and a diversification of available data. Big data offers the capacities, in the field of health, to accelerate the discoveries and to optimize the management of patients by combining a large volume of data and the creation of therapeutic models. In radiotherapy, the development of big data is attractive because data are very numerous et heterogeneous (demographics, radiomics, genomics, radiogenomics, etc...
November 14, 2017: Cancer Radiothérapie: Journal de la Société Française de Radiothérapie Oncologique
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