345,012 results match your criteria Simulation in Healthcare[Journal]


Subclavian artery and vein differentiation methods using ultrasound imaging among medical students.

J Clin Anesth 2018 Dec 12;54:154-155. Epub 2018 Dec 12.

Department of Anesthesiology, Osaka Medical College, Japan.

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December 2018

An update on Drug Repurposing: Re-written saga of the drug's fate.

Biomed Pharmacother 2018 Dec 12;110:700-716. Epub 2018 Dec 12.

Pharamacological Modelling and Simulation Centre, M.S.Ramaiah University of Applied Sciences, Bangalore, Karnataka, India; Department of Pharmacy Practice, Faculty of Pharmacy, M.S.Ramaiah University of Applied Sciences, Bangalore, Karnataka, India.

Drug repurposing is an unconventional drug discovery approach to explore new therapeutic benefits of existing, shelved and the drugs in clinical trials. This approach is currently emerging to overcome the bottleneck constraints faced during traditional drug discovery in grounds of financial support, timeline and resources. In this direction, several efforts were made for the construction of stratagems based on bioinformatics and computational tools to intensify the repurposing process off-late. Read More

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December 2018
1 Read

Molecular simulation of the structure of folate and antifolates at physiological conditions.

J Mol Graph Model 2018 Dec 4;87:172-184. Epub 2018 Dec 4.

Laboratory of Quantum and Computational Chemistry, Faculty of Chemistry and Pharmacy, University of Sofia, 1 James Bourchier Blvd, 1164, Sofia, Bulgaria. Electronic address:

The study is focused on description of folate and several antifolates at physiological conditions. Knowledge of the molecular structure and dynamics is important for understanding their biological activity and therapeutic application. They are modelled in saline by atomistic molecular dynamics simulations and characterized in detail. Read More

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December 2018
1 Read

Bubble-free rapid microfluidic PCR.

Biosens Bioelectron 2018 Oct 11;126:725-733. Epub 2018 Oct 11.

Department of Bioengineering, University of California Berkeley, CA 94720, USA; Berkeley Sensor and Actuator Center, University of California Berkeley, CA 94720, USA; UC Berkeley and UCSF Joint Graduate Program in Bioengineering, Berkeley/San Francisco, USA; Department of Electrical Engineering and Computer Science, University of California Berkeley, CA 94720, USA; Biophysics Graduate Program, University of California Berkeley, CA 94720, USA. Electronic address:

Microfluidic polymerase chain reaction (PCR) has been of great interest owing to its ability to perform rapid and specific nucleic acid amplification and analysis on small volumes of samples. One of the major drawbacks of microfluidic PCR is bubble generation and reagent evaporation, which can cause malfunctions. Here, through theoretical modeling and characterization of bubble behavior, we propose a bubble-free microfluidic PCR device via controlled fluid transfer. Read More

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October 2018
1 Read

Activation of peroxymonosulfate by magnetic catalysts derived from drinking water treatment residuals for the degradation of atrazine.

J Hazard Mater 2018 Dec 5;366:402-412. Epub 2018 Dec 5.

State Key Laboratory of Water Environment Simulation, School of Environment, Beijing Normal University, Beijing, 100875, China.

Magnetic catalysts (MCs) derived from iron-rich drinking water treatment residuals (WTRs) were prepared through pyrolysis treatment and introduced as activators of peroxymonosulfate (PMS) for refractory atrazine (ATZ) degradation. Comprehensive characterization analysis indicated that pyrolytic temperature could manipulate the crystalline structure evolution of the MCs and influence their physicochemical and catalytic properties. The catalytic performances of the as-prepared samples pyrolyzed at 600 °C (MC-600) and 1000 °C (MC-1000) were evaluated, and MC-1000 exhibited far more excellent catalytic reactivity than MC-600 in PMS oxidation system. Read More

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December 2018
1 Read

A generative model of realistic brain cells with application to numerical simulation of the diffusion-weighted MR signal.

Neuroimage 2018 Dec 12. Epub 2018 Dec 12.

Centre for Medical Image Computing and Dept of Computer Science, University College London, London, UK.

To date, numerical simulations of the brain tissue have been limited by their lack of realism and flexibility. The purpose of this work is to propose a controlled and flexible generative model for brain cell morphology and an efficient computational pipeline for the reliable and robust simulation of realistic cellular structures with application to numerical simulation of intra-cellular diffusion-weighted MR (DW-MR) signal features. Inspired by the advances in computational neuroscience for modelling brain cells, we propose a generative model that enables users to simulate molecular diffusion within realistic digital brain cells, such as neurons, in a completely controlled and flexible fashion. Read More

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December 2018
3 Reads

Stochastic Modeling and Simulation of Viral Evolution.

Bull Math Biol 2018 Dec 14. Epub 2018 Dec 14.

Departamento de Informática em Saúde, Laboratório de Biocomplexidade e Genômica Evolutiva, Universidade Federal de São Paulo, São Paulo, SP, Brazil.

RNA viruses comprise vast populations of closely related, but highly genetically diverse, entities known as quasispecies. Understanding the mechanisms by which this extreme diversity is generated and maintained is fundamental when approaching viral persistence and pathobiology in infected hosts. In this paper, we access quasispecies theory through a mathematical model based on the theory of multitype branching processes, to better understand the roles of mechanisms resulting in viral diversity, persistence and extinction. Read More

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December 2018

Concentration, sources and human health risk of heavy metals and polycyclic aromatic hydrocarbons bound PM ambient air, Tehran, Iran.

Environ Geochem Health 2018 Dec 14. Epub 2018 Dec 14.

Student Research Committee, Department of Environmental Health Engineering, School of Public Health and Safety, Shahid Beheshti University of Medical Sciences, Tehran, Iran.

The exposure to heavy metals and polycyclic aromatic hydrocarbons (PAHs) bound to particulate matter 2.5 (PM) ambient air can result in some adverse health effect. In the current study, PM ambient air of Tehran metropolitan, Iran, was characterized by the aid of scanning electron microscope and energy-dispersive X-ray techniques. Read More

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December 2018
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Secretory Expression of a Chimeric Peptide in Lactococcus lactis: Assessment of its Cytotoxic Activity and a Deep View on Its Interaction with Cell-Surface Glycosaminoglycans by Molecular Modeling.

Probiotics Antimicrob Proteins 2018 Dec 14. Epub 2018 Dec 14.

Department of Animal Sciences, Faculty of Agriculture, Ferdowsi University of Mashhad, Mashhad, Iran.

Nowadays, cancer remains a major cause of death affecting millions of people. Currently, the antimicrobial peptides (AMPs) as potent anticancer therapeutic agents offer specificity and low levels of side effects in cancer therapy. In the present study, a cationic chimeric peptide (cLFchimera), derived from camel lactoferrin, was expressed as a secretory peptide using P170 expression system in L. Read More

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December 2018
1 Read

From deep learning to transfer learning for the prediction of skeletal muscle forces.

Authors:
Tien Tuan Dao

Med Biol Eng Comput 2018 Dec 14. Epub 2018 Dec 14.

Sorbonne University, Université de Technologie de Compiègne, CNRS, UMR 7338 Biomechanics and Bioengineering, Centre de recherche Royallieu, Compiègne Cedex, France.

Skeletal muscle forces may be estimated using rigid musculoskeletal models and neural networks. Neural network (NN) approach has the advantages of real-time estimation ability and promising prediction accuracy. However, most of the developed NN models are based on conventional feedforward NNs, which do not take dynamic temporal relationships of the muscle force profiles into consideration. Read More

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December 2018

Flow-Mediated Drug Transport from Drug-Eluting Stents is Negligible: Numerical and In-vitro Investigations.

Ann Biomed Eng 2018 Dec 14. Epub 2018 Dec 14.

UNSW Sydney, Sydney, NSW, Australia.

Prior numerical studies have shown that the blood flow patterns surrounding drug-eluting stents can enhance drug uptake in stented arteries. However, these studies employed steady-state simulations, wherein flow and drug transport parameters remained constant with respect to time. In the present study, numerical simulations and in-vitro experiments were performed to determine whether luminal blood flow patterns can truly enhance drug uptake in stented arteries. Read More

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December 2018

Nematic liquid crystals of bifunctional patchy spheres.

Eur Phys J E Soft Matter 2018 Dec 6;41(12):141. Epub 2018 Dec 6.

Dipartimento di Fisica, "Sapienza" Università di Roma, P.le A. Moro 2, 00185, Roma, Italy.

Anisotropic interactions can bring about the formation, through self-assembly, of semi-flexible chains, which in turn can give rise to nematic phases for suitable temperatures and concentrations. A minimalist model constituted of hard cylinders decorated with attractive sites has been already extensively studied numerically. Simulation data shows that a theoretical approach recently proposed is able to properly capture the physical properties of these self-assembly-driven liquid crystals. Read More

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December 2018

Galvanic displacement-induced codeposition of reduced-graphene-oxide/silver on alloy fibers for non-destructive SPME@SERS analysis of antibiotics.

Mikrochim Acta 2018 Dec 14;186(1):19. Epub 2018 Dec 14.

Key Laboratory of Colloid and Interface Chemistry, Ministry of Education, Shandong University, Jinan, Shandong, 250100, People's Republic of China.

This work describes the integration of solid-phase microextraction (SPME) and surface-enhanced Raman spectroscopy (SERS) by codeposition of a hybrid consisting of reduced graphene oxide and silver on silver-copper alloy fibers. The morphology and structure of the coating were characterized by a variety of microscopic and spectroscopic techniques that confirmed the hybrid structure of the material. A galvanic-displacement-induced process is assumed to be involved during the codeposition of the hybrid coating on the alloy. Read More

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December 2018

Immunohistochemical evaluation of tumor budding for stratifying T1 colorectal cancer: optimal cut-off value and a novel computer-assisted semiautomatic method.

Mod Pathol 2018 Dec 14. Epub 2018 Dec 14.

Division of Pathology, The Cancer Institute; Department of Pathology, The Cancer Institute Hospital, Japanese Foundation for Cancer Research, Tokyo, 135-8550, Japan.

High-grade tumor budding is an adverse prognostic factor for submucosal invasive (T1) colorectal cancer used to predict the risk for lymph node metastasis in endoscopically resected specimens. Cytokeratin immunohistochemistry is a potential option for evaluating tumor budding. The optimal cut-off value between low- and high-grade budding has not yet been determined, however, and the high inter-observer variability in selecting budding foci remains problematic. Read More

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December 2018

Winged forelimbs of the small theropod dinosaur Caudipteryx could have generated small aerodynamic forces during rapid terrestrial locomotion.

Sci Rep 2018 Dec 14;8(1):17854. Epub 2018 Dec 14.

Key Laboratory of Vertebrate Evolution and Human Origins, Institute of Vertebrate Paleontology and Paleoanthropology, Chinese Academy of Sciences, Beijing, 100044, P. R. China.

Pennaceous feathers capable of forming aerodynamic surfaces are characteristic of Pennaraptora, the group comprising birds and their closest relatives among non-avian dinosaurs. However, members of the basal pennaraptoran lineage Oviraptorosauria were clearly flightless, and the function of pennaceous feathers on the forelimb in oviraptorosaurs is still uncertain. In the basal oviraptorosaur Caudipteryx both the skeleton and the plumage, which includes pennaceous feathers forming wing-like arrangements on the forelimbs, are well known. Read More

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December 2018

A new design of drag-free and attitude control based on non-contact satellite.

ISA Trans 2018 Dec 6. Epub 2018 Dec 6.

Shanghai Institute of Satellite Engineering, No. 3666, Yuanjiang Road, Shanghai 201109, China. Electronic address:

A novel non-contact satellite for drag-free and attitude control is proposed in this paper. The non-contact satellite is separated into a payload module and a service module by non-contact Lorentz actuators. Instead of thrusters, the non-contact Lorentz actuators are used to exerted precise forces and torques, enabling drag-free and attitude control of the payload module, while the service module is designed to track the payload module to avoid collision. Read More

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December 2018

Adaptive backstepping-based tracking control design for nonlinear active suspension system with parameter uncertainties and safety constraints.

ISA Trans 2018 Dec 6. Epub 2018 Dec 6.

International Center for Automotive Research (ICAR), Clemson University, Greenville, SC 29607, USA.

This paper proposes a novel constraint adaptive backstepping based tracking controller for nonlinear active suspension system with parameter uncertainties and safety constraints. By introducing the virtual control input and reference trajectories, the adaptive control law is developed to stabilize both of the vertical and pitch motions of vehicle body using backstepping technique and Lyapunov stability theory, and further to track the predefined reference trajectories within a finite time, which not only ensure the safety performance requirements, but also achieve improvements in riding comfort and handling stability of vehicle active suspension system. Next, the stability analysis on zero dynamics error system is conducted to ensure that all the safety performance indicators are all bounded and the corresponding upper bounds are estimable. Read More

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December 2018

Relay-Assisted D2D Transmission for Mobile Health Applications.

Sensors (Basel) 2018 Dec 13;18(12). Epub 2018 Dec 13.

School of Communication and Information Engineering, Chongqing University of Posts and Telecommunications, Chongqing 400065, China.

Relay-assisted Device-to-Device (D2D) communication, one of the important transmission modes in mobile health systems, can provide high transmission quality for servicing users at the edge of system coverage. However, the quality of the D2D relay communication is largely limited by the relay nodes. When a poor node is selected to assist the source node in the data transmission, it is likely to result in the loss of medical data and inaccurate transmission. Read More

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December 2018

Development of High-Frequency (>60 MHz) Intravascular Ultrasound (IVUS) Transducer by Using Asymmetric Electrodes for Improved Beam Profile.

Sensors (Basel) 2018 Dec 13;18(12). Epub 2018 Dec 13.

Department of Medical Biotechnology, Dongguk University, Seoul 04620, Korea.

In most commercial single-element intravascular ultrasound (IVUS) transducers, with 20 MHz to 40 MHz center frequencies, a conductive adhesive is used to bond a micro-sized cable for the signal line to the surface of the transducer aperture (<1 mm × 1 mm size) where ultrasound beam is generated. Therefore, the vibration of the piezoelectric layer is significantly disturbed by the adhesive with the signal line, thereby causing problems, such as reduced sensitivity, shortened penetration depth, and distorted beam profile. This phenomenon becomes more serious as the center frequency of the IVUS transducer is increased, and the aperture size becomes small. Read More

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December 2018

Enhancing GaN LED Efficiency through Nano-Gratings and Standing Wave Analysis.

Nanomaterials (Basel) 2018 Dec 13;8(12). Epub 2018 Dec 13.

Electrical Engineering Department, California Polytechnic State University, San Luis Obispo, CA 93407, USA.

Based on our recent work, this paper reviews our theoretical study on gallium nitride (GaN) light-emitting-diode (LED). The focus of the paper is to improve LED light extraction efficiency through various nano-grating designs. The gratings can be designed at different locations, such as at the top, the middle, and the bottom, on the LED. Read More

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December 2018

Optimization Design Method of a New Stabilized Platform Based on Missile-borne Semi-Strap-down Inertial Navigation System.

Sensors (Basel) 2018 Dec 13;18(12). Epub 2018 Dec 13.

Key Laboratory of Biomimetic Robots and Systems, Beijing Institute of Technology, Ministry of Education, Beijing 100081, China.

At present, existing wide range Micro-Electro-Mechanical-Systems (MEMS) inertial sensors have relatively lower precision and direct measurement of the missile's high-rotation motion inevitably uses a large-range sensor. To achieve high-precision navigation, this paper proposes a novel Semi-strap-down Stabilized Platform (SSP) based on the Missile-borne Semi-Strap-down Inertial Navigation System, which is used to mount sensors and lowers sensor range requirements through isolating the high-rotational motion of missile. First, the author innovatively puts forward a dynamic model under missile-borne environment, then analyses the influence of SSP quality on the range of gyro according to the dynamic model of the SSP. Read More

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December 2018

Self-Calibration and Performance Control of MEMS with Applications for IoT.

Authors:
Jason Clark

Sensors (Basel) 2018 Dec 13;18(12). Epub 2018 Dec 13.

Electrical and Computer Engineering, Auburn University, Auburn, AL 36830, USA.

A systemic problem for microelectromechanical systems (MEMS) has been the large gap between their predicted and actual performances. Due to process variations, no two MEMS have been able to perform identically. In-factory calibration is often required, which can represent as much as three-fourths of the manufacturing costs. Read More

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December 2018

Evaluation of the Novel Synthetic Tyrosinase Inhibitor ()-3-(3-bromo-4-hydroxybenzylidene)thiochroman-4-one (MHY1498) and .

Molecules 2018 Dec 13;23(12). Epub 2018 Dec 13.

College of Pharmacy, Pusan National University, Busan 46241, Korea.

Tyrosinase is a key enzyme in melanin synthesis, catalyzing the initial rate-limiting steps of melanin synthesis. Abnormal and excessive melanin synthesis is the primary cause of serious skin disorders including melasma, senile lentigo, freckles, and age spots. In attempts to find potent and safe tyrosinase inhibitors, we designed and synthesized a novel compound, ()-3-(3-bromo-4-hydroxybenzylidene)thiochroman-4-one (MHY1498), and evaluated its tyrosinase inhibitory activity and . Read More

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December 2018
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Azalomycin F, a polyhydroxy macrolide binding to the polar head of phospholipid and targeting to lipoteichoic acid to kill methicillin-resistant Staphylococcus aureus.

Biomed Pharmacother 2019 Jan 26;109:1940-1950. Epub 2018 Nov 26.

College of Bioscience and Bioengineering, Jiangxi Agricultural University, Nanchang 330045, China.

Azalomycin F was a polyhydroxy macrolide produced by streptomycete strains. Our preliminary researches indicated that it could kill methicillin-resistant Staphylococcus aureus (MRSA) likely by increasing the permeability of cell membrane, and that cell-membrane phospholipids were likely important targets. To confirm this, membrane permeability assay was performed and visualized by fluorescence staining, and then the detailed interactions between azalomycin F and model membranes prepared with 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (DPPG) were determined using attenuated total reflectance fourier transform infrared spectroscopy and P nuclear magnetic resonance techniques. Read More

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January 2019

New fatty dihydropyridines present cardioprotective potential in H9c2 cardioblasts submitted to simulated ischemia and reperfusion.

Biomed Pharmacother 2019 Jan 14;109:1532-1540. Epub 2018 Nov 14.

Programa de Pós-graduação em Ciências Fisiológicas, Instituto de Ciências Biológicas, Universidade Federal do Rio Grande - FURG, Rio Grande, RS, Brazil. Electronic address:

Nifedipine is a calcium channel blocker dihydropyridine that has been used in the treatment of hypertension. The production of reactive species and calcium overload are the main contributors to myocardial ischemia-reperfusion (I / R) injury. We investigated the ability of novel dihydropyridines (DHPs) to improve the effect of protecting against the injury induced by ischemia and reperfusion in cardioblasts when compared to nifedipine. Read More

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January 2019

Edonerpic Maleate: A Promising Pharmacological Agent for Stroke Recovery.

Neurosurgery 2019 Jan;84(1):E3-E4

Department of Neurological Surgery Mayo Clinic Phoenix, Arizona.

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January 2019
1 Read

Computational conformational analysis of α-thrombin inhibitors possessing distinct scaffolds in aqueous solution and on Ala-sheet.

Authors:
Keigo Gohda

J Mol Graph Model 2018 Dec 3;87:165-171. Epub 2018 Dec 3.

Computer-aided Molecular Modeling Research Center, Kansai (CAMM-Kansai), 3-32-302, Tsuto-Otsuka, Nishinomiya, 663-8241, Japan. Electronic address:

Recent computational simulations on protein-ligand binding/unbinding have precisely been uncovering the ligand-binding process at the atomic level. In the process, the non-specific binding of ligands to the target site is suggested to occur before binding to the target. We in this study analyzed the conformations of ligands under the non-specific binding on a protein surface to figure out the differences in the conformational characteristics in aqueous solution using the 55-ns molecular dynamic simulation. Read More

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December 2018

Influence of drivers' psychological risk profiles on the effectiveness of traffic calming measures.

Accid Anal Prev 2018 Dec 11;123:243-255. Epub 2018 Dec 11.

Department of Surgical, Medical and Molecular Pathology and Critical Care Medicine, University of Pisa, Via Paradisa 2, 56126, Pisa, Italy.

Road traffic injuries represent a serious public health problem and are one of leading cause of death, injury and disability around the world. Road accidents are often caused by an accumulation of factors; however, drivers appear to be by far the most decisive one. The driver's behaviour is complex and depends on reflex (or involuntary) and voluntary driving actions. Read More

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December 2018

Ultrasound simulation model incorporating incident and reflected wave propagations along a common carotid artery.

Comput Biol Med 2018 Nov 13;104:267-277. Epub 2018 Nov 13.

Department of Electronic Engineering, Information School, Yunnan University, Kunming, Yunnan, 650091, China.

An ultrasound simulation model incorporating incident and reflected wave propagations is proposed to provide a realistic data source for validation of transit time (TT)-based local pulse wave velocity (PWV) estimation algorithms. First, the incident wave (IW) and reflected wave (RW) at a certain position over a common carotid artery (CCA) are estimated. Then, the propagating pulse waves (PWs) along the CCA are modelled with the synthesizations of the estimated IWs and RWs, whose occurrences are delayed in opposite sequences according to a preset PWV. Read More

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November 2018

Molecular systematics of the Triplophysa robusta (Cobitoidea) complex: extensive gene flow in a depauperate lineage.

Mol Phylogenet Evol 2018 Dec 11. Epub 2018 Dec 11.

Key Laboratory of Adaptation and Evolution of Plateau Biota, and Laboratory of Plateau Fish Evolutionary and Functional Genomics, and Qinghai Key Laboratory of Animal Ecological Genomics, Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining 810008, Qinghai, China. Electronic address:

Gene flow between populations assumed to be isolated frequently leads to incorrect inferences of evolutionary history. Understanding gene flow and its causes has long been a key topic in evolutionary biology. In this study, we explored the evolutionary history of the Triplophysa robusta complex, using a combination of multilocus analyses and coalescent simulation. Read More

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December 2018

Contributions of climate change and vegetation greening to evapotranspiration trend in a typical hilly-gully basin on the Loess Plateau, China.

Sci Total Environ 2018 Nov 27;657:325-339. Epub 2018 Nov 27.

Key Laboratory of Water Cycle and Related Land Surface Processes, Institute of Geographic Sciences and Natural Resources Research, Chinese Academy of Sciences, Beijing 100101, China.

Significant increases in vegetation cover on the Loess Plateau since the early 2000s have been well documented. However, the relevant hydrological effects are still unclear. Here, we investigated the changes in actual evapotranspiration (ET) from 2000 to 2016 and related them to climate change and vegetation greening in Yanhe River basin (YRB), a typical hilly-gully basin on the Loess Plateau, by using the remote-sensing based VIP model. Read More

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November 2018

3D simulation of solutes concentration in urinary concentration mechanism in rat renal medulla.

Math Biosci 2018 Dec 11. Epub 2018 Dec 11.

Division of General Internal Medicine, Department of Medicine, Toronto General Hospital, Toronto.

In this work, a mathematical model was developed to simulate the urinary concentration mechanism. A 3-D geometry was derived based on the detail physiological pictures of rat kidney. The approximate region of each tubule was obtained from the volume distribution of structures based on Walter Pfaller's monograph and Layton's region-based model. Read More

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December 2018

Translating preventive chemotherapy prevalence thresholds for Schistosoma mansoni from the Kato-Katz technique into the point-of-care circulating cathodic antigen diagnostic test.

PLoS Negl Trop Dis 2018 Dec 14;12(12):e0006941. Epub 2018 Dec 14.

Swiss Tropical and Public Health Institute, Basel, Switzerland.

Background: Intervention guidelines against Schistosoma mansoni are based on the Kato-Katz technique. However, Kato-Katz thick smears show low sensitivity, especially for light-intensity infections. The point-of-care circulating cathodic antigen (POC-CCA) is a promising rapid diagnostic test detecting antigen output of living worms in urine and results are reported as trace, 1+, 2+, and 3+. Read More

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December 2018
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Sparsity-based photoacoustic image reconstruction with a linear array transducer and direct measurement of the forward model.

J Biomed Opt 2018 Dec;24(3):1-9

Dartmouth College, Thayer School of Engineering, Hanover, New Hampshire, United States.

Photoacoustic (PA) imaging is an emerging imaging technique for many clinical applications. One of the challenges posed by clinical translation is that imaging systems often rely on a finite-aperture transducer rather than a full tomography system. This results in imaging artifacts arising from an underdetermined reconstruction of the initial pressure distribution (IPD). Read More

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December 2018

A New Methodology for Before-After Safety Assessment Using Survival Analysis and Longitudinal Data.

Risk Anal 2018 Dec 14. Epub 2018 Dec 14.

Department of Civil and Urban Engineering, Connected Cities for Smart Mobility towards Accessible and Resilient Transportation (C2SMART) Center, and Center for Urban Science and Progress (CUSP), New York University, Brooklyn, NY, USA.

The widely used empirical Bayes (EB) and full Bayes (FB) methods for before-after safety assessment are sometimes limited because of the extensive data needs from additional reference sites. To address this issue, this study proposes a novel before-after safety evaluation methodology based on survival analysis and longitudinal data as an alternative to the EB/FB method. A Bayesian survival analysis (SARE) model with a random effect term to address the unobserved heterogeneity across sites is developed. Read More

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December 2018

The sensitivity of the forest carbon budget shifts across processes along with stand development and climate change.

Ecol Appl 2018 Dec 14. Epub 2018 Dec 14.

National Research Council of Italy, Institute for Agriculture and Forestry Systems, in the Mediterranean (CNR-ISAFOM), 87036, Rende, CS, Italy.

The future trajectory of atmospheric CO concentration depends on the development of the terrestrial carbon sink, which in turn is influenced by forest dynamics under changing environmental conditions. An in-depth understanding of model sensitivities and uncertainties in non steady-state conditions is necessary for reliable and robust projections of forest development and under scenarios of global warming and CO -enrichment. Here, we systematically assessed if a bio-geochemical process-based model (3D-CMCC-CNR), which embeds similarities with many other vegetation models, applied in simulating net primary productivity (NPP) and standing woody biomass (SWB), maintained a consistent sensitivity to its 55 input parameters through time, during forest-ageing and -structuring as well as under climate-change scenarios. Read More

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December 2018

Models and machines: How deep learning will take clinical pharmacology to the next level.

CPT Pharmacometrics Syst Pharmacol 2018 Dec 14. Epub 2018 Dec 14.

Roche Pharmaceutical Research & Early Development, Roche Innovation Center Basel, Switzerland.

Recent advances in machine learning (ML) have led to enthusiasm about its use throughout the biopharmaceutical industry. ML methods can be applied to a wide range of problems and have the potential to revolutionize aspects of drug development. The incorporation of ML in modeling and simulation (M+S) has been eagerly anticipated and in this perspective we highlight examples where ML and M+S approaches can be integrated as complementary parts of a clinical pharmacology workflow. Read More

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December 2018

An empirical evaluation of multivariate lesion behaviour mapping using support vector regression.

Hum Brain Mapp 2018 Dec 13. Epub 2018 Dec 13.

Centre of Neurology, Division of Neuropsychology, Hertie-Institute for Clinical Brain Research, University of Tübingen, Tübingen, Germany.

Multivariate lesion behaviour mapping based on machine learning algorithms has recently been suggested to complement the methods of anatomo-behavioural approaches in cognitive neuroscience. Several studies applied and validated support vector regression-based lesion symptom mapping (SVR-LSM) to map anatomo-behavioural relations. However, this promising method, as well as the multivariate approach per se, still bears many open questions. Read More

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December 2018

A Highly Active Star Decahedron Cu Nanocatalyst for Hydrocarbon Production at Low Overpotentials.

Adv Mater 2018 Dec 14:e1805405. Epub 2018 Dec 14.

Department of Materials Science and Engineering, University of California, Los Angeles, Los Angeles, CA, 90095, USA.

The electrochemical carbon dioxide reduction reaction (CO RR) presents a viable approach to recycle CO gas into low carbon fuels. Thus, the development of highly active catalysts at low overpotential is desired for this reaction. Herein, a high-yield synthesis of unique star decahedron Cu nanoparticles (SD-Cu NPs) electrocatalysts, displaying twin boundaries (TBs) and multiple stacking faults, which lead to low overpotentials for methane (CH ) and high efficiency for ethylene (C H ) production, is reported. Read More

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December 2018
1 Read

TGMin: An efficient global minimum searching program for free and surface-supported clusters.

J Comput Chem 2018 Dec 14. Epub 2018 Dec 14.

Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education, Tsinghua University, Beijing 100084, China.

In this article, we introduce an efficient global-minimum structural search program named Tsinghua Global Minimum 2 (TGMin-2), which is the successor of the original TGMin algorithm that was developed in our group in 2011. We have introduced a number of new features and improvements into TGMin-2, including a symmetric structure generation algorithm that can produce good initial seeds for small- and medium-size clusters, the duplicated structure identification algorithm, and the improved structure adaption algorithm that was implemented in the original TGMin code. To predict the simulated photoelectron spectrum (PE spectrum) automatically, we also implemented a standalone program named AutoPES (Auto Photoelectron Spectroscopy), which can be used to simulate PE spectra and compare them with experimental results automatically. Read More

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December 2018

Mandated wrapping of airway cart instruments: Limited access without the intended safety benefits.

Laryngoscope 2018 Dec 13. Epub 2018 Dec 13.

Greenville Voice Center, Greenville ENT Associates, Greenville Health System, Greenville, South Carolina, U.S.A.

Objectives/hypothesis: Isolated case studies have shown improper sterilization or contamination of equipment from anesthesia carts can lead to transmission of disease and even death. Citing this literature, national accrediting agencies mandated all instruments in the otolaryngology airway carts at San Antonio Military Medical Center be packaged to prevent contamination. This study sought to determine the infection and safety implications of packaged airway cart instruments. Read More

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December 2018

Evaluating small-scale simulation for training firearm safety skills.

J Appl Behav Anal 2018 Dec 14. Epub 2018 Dec 14.

University of South Florida.

There is limited research using small-scale simulation in applied behavior analysis. We used small-scale simulation to train firearm safety skills to 3- to 5-year-old children and assessed whether the skills generalized to the natural environment through in situ assessment. Three participants completed the training, and all participants learned the safety skills from simulation training. Read More

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December 2018

Distribution-free estimation of local growth rates around interval censored anchoring events.

Biometrics 2018 Dec 14. Epub 2018 Dec 14.

Department of Biostatistics, Indiana University Fairbanks School of Public Health Indiana, University School of Medicine, Indianapolis, Indiana 46202, USA.

Biological processes are usually defined on timelines that are anchored by specific events. For example, cancer growth is typically measured by the change in tumor size from the time of oncogenesis. In the absence of such anchoring events, longitudinal assessments of the outcome lose their temporal reference. Read More

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December 2018

Drawing inferences for High-dimensional Linear Models: A Selection-assisted Partial Regression and Smoothing Approach.

Biometrics 2018 Dec 14. Epub 2018 Dec 14.

Department of Biostatistics, University of Michigan, Ann Arbor, Michigan, USA.

Drawing inferences for high-dimensional models is challenging as regular asymptotic theories are not applicable. This paper proposes a new framework of simultaneous estimation and inferences for high-dimensional linear models. By smoothing over partial regression estimates based on a given variable selection scheme, we reduce the problem to a low-dimensional least squares estimation. Read More

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December 2018
1 Read

Effect of Thermomechanical and Static Loading on the Load to Fracture of Metal-Ceramic, Monolithic and Veneered Zirconia Posterior Fixed Partial Dentures.

J Prosthodont 2018 Dec 13. Epub 2018 Dec 13.

Department of Buccofacial Prostheses, Faculty of Odontology, University Complutense of Madrid, Madrid, Spain.

Purpose: To evaluate the influence of static (not pre-loaded) and thermomechanical loading on the load to fracture of metal-ceramic, monolithic and veneered zirconia computer-aided design/computer-aided manufacturing (CAD/CAM) posterior fixed partial dentures (FPDs).

Materials And Methods: One hundred standardized specimens with 2 abutments screwed onto a platform were prepared from stainless steel to receive a posterior 3-unit FPD with an intermediate pontic. Specimens were randomly divided into 5 groups (n = 20): Metal-ceramic (control group), Lava Zirconia system, Vita In-Ceram YZ, IPS e-max ZirCAD, and Lava Plus. Read More

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December 2018

An effective method to reduce the interplay effects between respiratory motion and a uniform scanning proton beam irradiation for liver tumors: A case study.

J Appl Clin Med Phys 2018 Dec 13. Epub 2018 Dec 13.

Department of Radiation Oncology, New York University Langone Medical Center, Laura and Isaac, Perlmutter Cancer Center, New York, NY, USA.

Purpose: For scanning particle beam therapy, interference between scanning patterns and interfield organ motion may result in suboptimal dose within target volume. In this study, we developed a simple offline correction technique for uniform scanning proton beam (USPB) delivery to compensate for the interplay between scanning patterns and respiratory motion and demonstrate the effectiveness of our technique in treating liver cancer.

Methods: The computed tomography (CT) and respiration data of two patients who had received stereotactic body radiotherapy for hepatocellular carcinoma were used. Read More

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December 2018

A Modeling Approach to Gauging the Effects of Nicotine Vaping Product Use on Cessation from Cigarettes: What Do We Know, What Do We Need to Know?

Addiction 2018 Dec 12. Epub 2018 Dec 12.

Department of Psychiatry and Behavioral Sciences, Medical University of South Carolina, Charleston, South Carolina, USA.

Background And Aims: The long term population health impact of nicotine vaping products (NVPs) use among smokers is unknown and subject to a range of plausible assumptions about the use and health consequences of NVPs. While NVPs use may substitute for cigarette smoking and thereby aid in quitting cigarette use, it is also possible that smokers who would have otherwise quit would instead delay quitting cigarettes. We aimed to develop a cohort-specific simulation model of the impact of NVPs on smoking cessation by adult smokers and resulting premature deaths (PD) and life-years lost (LYL). Read More

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December 2018

Multiple imputation approach for interval-censored time to HIV RNA viral rebound within a mixed effects Cox model.

Biom J 2018 Dec 13. Epub 2018 Dec 13.

Departarment d'Estadística i Investigació Operativa, Universitat Politècnica de Catalunya/BARCELONATECH, Barcelona, Spain.

We present a method to fit a mixed effects Cox model with interval-censored data. Our proposal is based on a multiple imputation approach that uses the truncated Weibull distribution to replace the interval-censored data by imputed survival times and then uses established mixed effects Cox methods for right-censored data. Interval-censored data were encountered in a database corresponding to a recompilation of retrospective data from eight analytical treatment interruption (ATI) studies in 158 human immunodeficiency virus (HIV) positive combination antiretroviral treatment (cART) suppressed individuals. Read More

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December 2018

A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations.

J Comput Chem 2019 Jan;40(2):532-542

Center of Nanophase Materials Sciences & Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, 37831.

We propose a fast and accurate calculation method to compute the electronic couplings between molecular units in a thiophene-ring-based polymer chain mimicking a real organic semiconducting polymer, poly(3-hexylthiophene). Through a unit block diabatization scheme, the method employed minimal number of diabatic orbitals to compute the site energies and electronic couplings, which were validated by comparing with benchmark density functional theory calculations. In addition, by using the obtained electronic couplings, a quantum dynamics simulation was carried out to propagate a hole initially localized in a thiophene-ring unit of the polymer chain. Read More

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January 2019

Predictive probability of success using surrogate endpoints.

Stat Med 2018 Dec 12. Epub 2018 Dec 12.

Dipartimento di Scienze Matematiche (DISMA) Giuseppe Luigi Lagrange, Politecnico di Torino, Turin, Italy.

The predictive probability of success of a future clinical trial is a key quantitative tool for decision-making in drug development. It is derived from prior knowledge and available evidence, and the latter typically comes from the accumulated data on the clinical endpoint of interest in previous clinical trials. However, a surrogate endpoint could be used as primary endpoint in early development and, usually, no or limited data are collected on the clinical endpoint of interest. Read More

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December 2018
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