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Simulation AND Virtual

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https://www.readbyqxmd.com/read/28425719/adsorption-of-nitrate-and-bicarbonate-on-fe-hydr-oxide
#1
Nancy Y Acelas, Cacier Hadad, Albeiro Restrepo, César Ibarguen, Elizabeth Flórez
In this work, we used density functional theory calculations to study the resulting complexes of adsorption and of inner- and outer-sphere adsorption-like of bicarbonate and nitrate over Fe-(hydr)oxide surfaces using acidic, neutral, and basic simulated pH conditions. High-spin states that follow the 5N + 1 (N is the number of Fe atoms, each having five unpaired electrons) rule are preferred. Monodentate mononuclear (MM1) surface complexes are shown to lead to the most favorable thermodynamic adsorption for both bicarbonate and nitrate with -63...
April 20, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28424793/a-model-based-meta-analysis-evaluating-gender-differences-on-blood-flow-responses-to-brachial-artery-infusions-of-acetylcholine-albuterol-atp-bradykinin-estradiol-glyceryl-trinitrate-l-nmma-nevibolol-norepinephrine-sodium-nitroprusside-substance-p-and-verapamil
#2
Andy R Eugene
INTRODUCTION: Numerous studies have emerged over the course of several decades describing the properties of drugs eliciting vasodilatory or vasoconstrictor responses in the human vasculature. During drug development, decisions to move forward with testing with a new chemical entity are very costly. To fund or not to fund development, go or no-go, decisions are often limited by efficacy comparisons with the current products on the market. The primary aim of this paper is to use dose-response modeling and simulations to quantify differences in blood flow to Acetylcholine, Albuterol, ATP, Bradykinin, 17β-Estradiol, Glyceryl Trinitrate, L-NMMA, Nevibolol, Norepinephrine, Sodium Nitroprusside, Substance P, and Verapamil...
June 2016: MEDtube Science
https://www.readbyqxmd.com/read/28424602/assessing-the-driver-s-current-level-of-working-memory-load-with-high-density-functional-near-infrared-spectroscopy-a-realistic-driving-simulator-study
#3
Anirudh Unni, Klas Ihme, Meike Jipp, Jochem W Rieger
Cognitive overload or underload results in a decrease in human performance which may result in fatal incidents while driving. We envision that driver assistive systems which adapt their functionality to the driver's cognitive state could be a promising approach to reduce road accidents due to human errors. This research attempts to predict variations of cognitive working memory load levels in a natural driving scenario with multiple parallel tasks and to reveal predictive brain areas. We used a modified version of the n-back task to induce five different working memory load levels (from 0-back up to 4-back) forcing the participants to continuously update, memorize, and recall the previous 'n' speed sequences and adjust their speed accordingly while they drove for approximately 60 min on a highway with concurrent traffic in a virtual reality driving simulator...
2017: Frontiers in Human Neuroscience
https://www.readbyqxmd.com/read/28423455/simulation-and-curriculum-design-a-global-survey-in-dental-education
#4
S Perry, M F Burrow, W K Leung, S M Bridges
BACKGROUND: Curriculum reforms are being driven by globalisation and international standardisation. Although new information technologies such as dental haptic virtual reality (VR) simulation systems have provided potential new possibilities for clinical learning in dental curricula, infusion into curricula requires careful planning. METHODS: This study aimed to identify current patterns in the role and integration of simulation in dental degree curricula internationally...
April 19, 2017: Australian Dental Journal
https://www.readbyqxmd.com/read/28422647/eeg-based-affect-and-workload-recognition-in-a-virtual-driving-environment-for-asd-intervention
#5
Jing Fan, Joshua W Wade, Alexandra P Key, Zachary Warren, Nilanjan Sarkar
OBJECTIVE: To build group-level classification models capable of recognizing affective states and mental workload of individuals with autism spectrum disorder (ASD) during driving skill training. METHODS: Twenty adolescents with ASD participated in a six-session virtual reality driving simulator based experiment, during which their electroencephalogram (EEG) data were recorded alongside driving events and a therapist's rating of their affective states and mental workload...
April 12, 2017: IEEE Transactions on Bio-medical Engineering
https://www.readbyqxmd.com/read/28422491/discovery-of-novel-ligands-for-tnf-%C3%AE-and-tnf-receptor-1-through-structure-based-virtual-screening-and-biological-assay
#6
Si Chen, Zhiwei Feng, Yun Wang, Shifan Ma, Ziheng Hu, Peng Yang, Yifeng Chai, Xiang-Qun Sean Xie
Tumor Necrosis Factor alpha (TNF-α) is overexpressed in various diseases, and it has been a validated therapeutic target for autoimmune diseases. All therapeutics currently used targeting TNF-α are biomacromolecules, and limited numbers of TNF-α chemical inhibitors have been reported, which makes the identification of small molecule alternatives in urgent need. Recent studies mainly focused on identifying small molecules that directly bind to TNF-α or TNF receptor-1 (TNFR1), and/or inhibit the interaction between TNF-α and TNFR1, and/or regulate related signaling pathways...
April 19, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28420541/stability-of-lisfranc-injury-fixation-in-thiel-cadavers-is-routine-fixation-of-the-1st-and-3rd-tarsometatarsal-joint-necessary
#7
Alistair I W Mayne, Robert Lawton, Stephen Dalgleish, Fraser Harrold, George Chami
BACKGROUND: There is debate as to whether a home run screw (medial cuneiform to 2nd metatarsal base) combined with k-wire fixation of the 4th & 5th tarsometatarsal joints is sufficient to stabilise Lisfranc injuries or if fixation of the 1st and 3rd tarsometatarsal joints is also required. Unlike the 2nd, 4th and 5th tarsometatarsal joints, stabilisation of the 1st and 3rd requires either intra-articular screw or an extra-articular plate which risk causing chondrolysis and/or osteoarthritis...
April 11, 2017: Injury
https://www.readbyqxmd.com/read/28419319/influence-of-concentration-nanoparticle-size-beam-energy-and-material-on-dose-enhancement-in-radiation-therapy
#8
Chulhwan Hwang, Ja Mee Kim, JungHoon Kim
The purpose of this study was to analyse the effects of the type, concentration, and nanoparticle diameter of dose enhancement materials on the dose enhancement of low- and high-energy megavoltage (MV) X-rays acquired from a medical linear accelerator using Monte Carlo simulation. Monte Carlo simulation was performed with the Monte Carlo N-Particle Transport (MCNPX) code, using the energy spectrum of the linear accelerator and a mathematical Snyder head phantom. A 5-cm-diameter virtual tumour was defined in the centre of the phantom...
April 17, 2017: Journal of Radiation Research
https://www.readbyqxmd.com/read/28419148/how-long-to-rest-in-unpredictably-changing-habitats
#9
Mirosław Slusarczyk, Jacek Starzyński, Piotr Bernatowicz
In the present study, we investigated the optimum length of prolonged dormancy (developmental arrest extending over favourable periods) of organisms under uncertain environmental conditions. We used an artificial life model to simulate the evolution of suspended development in the ontogenesis of organisms inhabiting unpredictably changing habitats. A virtual population of semelparous parthenogenetic individuals that varied in a duration of developmental arrest competed for limited resources. At a constant level of available resources, uninterrupted development was the superior life strategy...
2017: PloS One
https://www.readbyqxmd.com/read/28418754/evaluating-the-effect-of-virtual-reality-temporal-bone-simulation-on-mastoidectomy-performance-a-meta-analysis
#10
Justin T Lui, Monica Y Hoy
Background The increasing prevalence of virtual reality simulation in temporal bone surgery warrants an investigation to assess training effectiveness. Objectives To determine if temporal bone simulator use improves mastoidectomy performance. Data Sources Ovid Medline, Embase, and PubMed databases were systematically searched per the PRISMA guidelines. Review Methods Inclusion criteria were peer-reviewed publications that utilized quantitative data of mastoidectomy performance following the use of a temporal bone simulator...
April 1, 2017: Otolaryngology—Head and Neck Surgery
https://www.readbyqxmd.com/read/28416601/csreport-a-new-computational-tool-designed-for-automatic-analysis-of-class-switch-recombination-junctions-sequenced-by-high-throughput-sequencing
#11
François Boyer, Hend Boutouil, Iman Dalloul, Zeinab Dalloul, Jeanne Cook-Moreau, Jean-Claude Aldigier, Claire Carrion, Bastien Herve, Erwan Scaon, Michel Cogné, Sophie Péron
B cells ensure humoral immune responses due to the production of Ag-specific memory B cells and Ab-secreting plasma cells. In secondary lymphoid organs, Ag-driven B cell activation induces terminal maturation and Ig isotype class switch (class switch recombination [CSR]). CSR creates a virtually unique IgH locus in every B cell clone by intrachromosomal recombination between two switch (S) regions upstream of each C region gene. Amount and structural features of CSR junctions reveal valuable information about the CSR mechanism, and analysis of CSR junctions is useful in basic and clinical research studies of B cell functions...
April 17, 2017: Journal of Immunology: Official Journal of the American Association of Immunologists
https://www.readbyqxmd.com/read/28412467/magnitude-and-direction-of-missing-confounders-had-different-consequences-on-treatment-effect-estimation-in-propensity-score-analysis
#12
Tri-Long Nguyen, Gary S Collins, Jessica Spence, Charles Fontaine, Jean-Pierre Daurès, P J Devereaux, Paul Landais, Yannick Le Manach
OBJECTIVE: Propensity score (PS) analysis allows an unbiased estimate of treatment effects, but assumes that all confounders are measured. We assessed the impact of omitting confounders from a PS analysis on clinical decision-making. STUDY DESIGN AND SETTING: We conducted Monte Carlo simulations on hypothetical observational studies based on virtual populations and on the population from a large randomized trial (CRASH-2). In both series of simulations, PS analysis was conducted with all confounders and with omitted confounders, which were defined to have different strengths of association with the outcome and treatment exposure...
April 12, 2017: Journal of Clinical Epidemiology
https://www.readbyqxmd.com/read/28412441/noise-robust-cortical-tracking-of-attended-speech-in-real-world-acoustic-scenes
#13
Søren Asp Fuglsang, Torsten Dau, Jens Hjortkjær
Selectively attending to one speaker in a multi-speaker scenario is thought to synchronize low-frequency cortical activity to the attended speech signal. In recent studies, reconstruction of speech from single-trial electroencephalogram (EEG) data has been used to decode which talker a listener is attending to in a two-talker situation. It is currently unclear how this generalizes to more complex sound environments. Behaviorally, speech perception is robust to the acoustic distortions that listeners typically encounter in everyday life, but it is unknown whether this is mirrored by a noise-robust neural tracking of attended speech...
April 12, 2017: NeuroImage
https://www.readbyqxmd.com/read/28410681/simulation-of-scanner-and-patient-specific-low-dose-ct-imaging-from-existing-ct-images
#14
Robiël E Naziroglu, Vincent F van Ravesteijn, Lucas J van Vliet, Geert J Streekstra, Frans M Vos
PURPOSE: Simulating low-dose Computed Tomography (CT) facilitates in-silico studies into the required dose for a diagnostic task. Conventionally, low-dose CT images are created by adding noise to the projection data. However, in practice the raw data is often simply not available. This paper presents a new method for simulating patient-specific, low-dose CT images without the need of the original projection data. METHODS: The low-dose CT simulation method included the following: (1) computation of a virtual sinogram from a high dose CT image through a radon transform; (2) simulation of a 'reduced'-dose sinogram with appropriate amounts of noise; (3) subtraction of the high-dose virtual sinogram from the reduced-dose sinogram; (4) reconstruction of a noise volume via filtered back-projection; (5) addition of the noise image to the original high-dose image...
April 2017: Physica Medica: PM
https://www.readbyqxmd.com/read/28409029/biophysical-approaches-facilitate-computational-drug-discovery-for-atp-binding-cassette-proteins
#15
REVIEW
Steven V Molinski, Zoltán Bozóky, Surtaj H Iram, Saumel Ahmadi
Although membrane proteins represent most therapeutically relevant drug targets, the availability of atomic resolution structures for this class of proteins has been limited. Structural characterization has been hampered by the biophysical nature of these polytopic transporters, receptors, and channels, and recent innovations to in vitro techniques aim to mitigate these challenges. One such class of membrane proteins, the ATP-binding cassette (ABC) superfamily, are broadly expressed throughout the human body, required for normal physiology and disease-causing when mutated, yet lacks sufficient structural representation in the Protein Data Bank...
2017: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28407166/evaluation-of-the-true-wavefront-aberrations-in-eyes-implanted-with-a-rotationally-asymmetric-multifocal-intraocular-lens
#16
Vyas Akondi, Pablo Pérez-Merino, Eduardo Martinez-Enriquez, Carlos Dorronsoro, Nicolás Alejandre, Ignacio Jiménez-Alfaro, Susana Marcos
PURPOSE: Standard evaluation of aberrations from wavefront slope measurements in patients implanted with a rotationally asymmetric multifocal intraocular lens (IOL), the Lentis Mplus (Oculentis GmbH, Berlin, Germany), results in large magnitude primary vertical coma, which is attributed to the intrinsic IOL design. The new proposed method analyzes aberrometry data, allowing disentangling the IOL power pupillary distribution from the true higher order aberrations of the eye. METHODS: The new method of wavefront reconstruction uses retinal spots obtained at both the near and far foci...
April 1, 2017: Journal of Refractive Surgery
https://www.readbyqxmd.com/read/28403125/low-vs-high-fidelity-the-importance-of-realism-in-the-simulation-of-a-stone-treatment-procedure
#17
Piyush Sarmah, Jim Voss, Adrian Ho, Domenico Veneziano, Bhaskar Somani
PURPOSE OF REVIEW: Simulation training for stone surgery is now increasingly used as part of training curricula worldwide. A combination of low and high fidelity simulators has been used with varying degrees of 'realism' provided by them. In this review, we discuss low and high fidelity simulators used for ureteroscopy (URS) and percutaneous nephrolithotomy (PCNL) stone procedures with their advantages, disadvantages and future direction for endourological simulation surgery. The final goal will be to understand whether or not 'realism' has to be considered as a critical element in simulation for this field...
April 11, 2017: Current Opinion in Urology
https://www.readbyqxmd.com/read/28402672/a-modular-implementation-for-the-simulation-of-1d-and-2d-solid-state-nmr-spectra-of-quadrupolar-nuclei-in-the-virtual-multifrequency-spectrometer-draw-graphical-interface
#18
Davide Presti, Alfonso Pedone, Daniele Licari, Vincenzo Barone
We present the implementation of the solid state (SoS)NMR module for the simulation of several 1D and 2D NMR spectra of all the elements in the periodic table in the virtual multifrequency spectrometer (VMS). This module is fully integrated with the graphical user interface of VMS (VMS-Draw) [Licari et al., J. Comput. Chem. 36, 2015, 321-334], a freeware tool which allows a user-friendly handling of structures and analyses of advanced spectroscopical properties of chemical compounds-from model systems to real-world applications...
April 20, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28401705/a-3d-virtual-reality-ophthalmoscopy-trainer
#19
Andrew S Wilson, Jake O'Connor, Lewis Taylor, David Carruthers
BACKGROUND: Performing eye examinations is an important clinical skill that medical students often find difficult to become proficient in. This paper describes the development and evaluation of an innovative 3D virtual reality (VR) training application to support learning these skills. METHODS: The VR ophthalmoscope was developed by a clinical team and technologist using the unity game engine, smartphone and virtual reality headset. It has a series of tasks that include performing systematic eye examinations, identifying common eye pathologies and a knowledge quiz...
April 12, 2017: Clinical Teacher
https://www.readbyqxmd.com/read/28400556/precise-treatment-of-aortic-aneurysm-by-three-dimensional-printing-and-simulation-before-endovascular-intervention
#20
Ding Yuan, Han Luo, Hongliu Yang, Bin Huang, Jingqiang Zhu, Jichun Zhao
In this study, three-dimensional printing (3Dp) models and simulation surgeries (SSs) were applied in two challenging aortic cases. The first was an abdominal aortic aneurysm with a complex neck, and the second was a thoracic aortic dissection aneurysm (TADA) with an angled arch. In order to avoid unpredictable obstacles and difficulties, we made optimal surgical plans by using 3D models and virtual simulations. Based on preoperative evaluation system, the surgical plans seemed more reasonable and time-saving...
April 11, 2017: Scientific Reports
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