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https://www.readbyqxmd.com/read/28432959/molecular-dynamics-simulation-studies-of-novel-%C3%AE-lactamase-inhibitor
#1
Farhan Ul Haq, Asma Abro, Saad Raza, Klaus R Liedl, Syed Sikander Azam
New Delhi Metallo-β-Lactamase-1 (NDM-1) has drawn great attention due to its diverse antibiotic resistant activity. It can hydrolyze almost all clinically available β-lactam antibiotics. To inhibit the activity of NDM-1 a new strategy is proposed using computational methods. Molecular dynamics (MD) simulations are used to analyze the molecular interactions between selected inhibitor candidates and NDM-1 structure. The enzyme-ligand complex is subject to binding free energy calculations using MM(PB/GB)SA methods...
April 4, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28432820/the-impact-of-small-motion-on-the-visualization-of-coronary-vessels-and-lesions-in-cardiac-ct-a-simulation-study
#2
Francisco Contijoch, J Webster Stayman, Elliot R McVeigh
PURPOSE: Coronary x-ray computed tomography angiography (CCTA) is used to non-invasively assess coronary artery geometry and has, combined with computational modeling, demonstrated the potential to identify physiologically significant lesions. These measurements require robust and accurate coronary imaging and delineation of vessels in the presence of small motion. This simulation study characterizes the impact of small, uncorrected vessel drifts during data acquisition on the assessment of vessel intensity, diameter, and shape...
April 22, 2017: Medical Physics
https://www.readbyqxmd.com/read/28432784/contributions-of-imprecision-in-pet-mri-rigid-registration-to-imprecision-in-amyloid-pet-suvr-measurements
#3
Christopher G Schwarz, David T Jones, Jeffrey L Gunter, Val J Lowe, Prashanthi Vemuri, Matthew L Senjem, Ronald C Petersen, David S Knopman, Clifford R Jack
Quantitative measurement of β-amyloid from amyloid PET scans typically relies on localizing target and reference regions by image registration to MRI. In this work, we present a series of simulations where 50 small random perturbations of starting location and orientation were applied to each subject's PET scan, and rigid registration using spm_coreg was performed between each perturbed PET scan and its corresponding MRI. We then measured variation in the output PET-MRI registrations and how this variation affected the resulting SUVR measurements...
April 22, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28432489/design-development-and-clinical-validation-of-computer-aided-surgical-simulation-system-for-streamlined-orthognathic-surgical-planning
#4
REVIEW
Peng Yuan, Huaming Mai, Jianfu Li, Dennis Chun-Yu Ho, Yingying Lai, Siting Liu, Daeseung Kim, Zixiang Xiong, David M Alfi, John F Teichgraeber, Jaime Gateno, James J Xia
PURPOSE: There are many proven problems associated with traditional surgical planning methods for orthognathic surgery. To address these problems, we developed a computer-aided surgical simulation (CASS) system, the AnatomicAligner, to plan orthognathic surgery following our streamlined clinical protocol. METHODS: The system includes six modules: image segmentation and three-dimensional (3D) reconstruction, registration and reorientation of models to neutral head posture, 3D cephalometric analysis, virtual osteotomy, surgical simulation, and surgical splint generation...
April 21, 2017: International Journal of Computer Assisted Radiology and Surgery
https://www.readbyqxmd.com/read/28431980/shear-stress-alterations-in-the-celiac-trunk-of-patients-with-a-continuous-flow-left-ventricular-assist-device-as-shown-by-in-silico-and-in-vitro-flow-analyses
#5
Francesco Scardulla, Salvatore Pasta, Leonardo D'Acquisto, Sergio Sciacca, Valentina Agnese, Christian Vergara, Alfio Quarteroni, Francesco Clemenza, Diego Bellavia, Michele Pilato
BACKGROUND: The use of left ventricular assist devices (LVADs) to treat advanced cardiac heart failure is constantly increasing, although this device leads to high risk for gastrointestinal bleeding. METHODS: Using in-silico flow analysis, we quantified hemodynamic alterations due to continuous-flow LVAD (HeartWare, Inc., Framingham, MA) in the celiac trunk and major branches of the abdominal aorta, and then explored the relationship between wall shear stress (WSS) and celiac trunk orientation...
March 24, 2017: Journal of Heart and Lung Transplantation
https://www.readbyqxmd.com/read/28431936/galectin-3-mediates-the-pulmonary-arterial-hypertension-induced-right-ventricular-remodeling-through-interacting-with-nadph-oxidase-4
#6
Jingni He, Xiaohui Li, Hui Luo, Tangzhiming Li, Lin Zhao, Qiangqiang Qi, Yuwei Liu, Zaixin Yu
Pulmonary arterial hypertension (PAH) is a progressive disorder that affects both pulmonary vasculature and the heart. The response of the right ventricle (RV) to the increased afterload is an important determinant of the PAH final outcome. Galectin-3 (Gal-3), a novel biomarker in left cardiac remodeling, takes part in multiple pathophysiological processes including the inflammation, fibrosis, immunity, and oxidative stress. The levels of Gal-3 are elevated in PAH patients, although the exact mechanisms underlie the PAH-induced right ventricular structural changes remain unclear...
March 27, 2017: Journal of the American Society of Hypertension: JASH
https://www.readbyqxmd.com/read/28431428/computational-and-in-vitro-experimental-investigation-of-intrathecal-drug-distribution-parametric-study-of-the-effect-of-injection-volume-cerebrospinal-fluid-pulsatility-and-drug-uptake
#7
Kevin M Tangen, Roxanne Leval, Ankit I Mehta, Andreas A Linninger
BACKGROUND: Intrathecal drug delivery is an attractive option to circumvent the blood-brain barrier for pain management through its increased efficacy of pain relief, reduction in adverse side effects, and cost-effectiveness. Unfortunately, there are limited guidelines for physicians to choose infusion or drug pump settings to administer therapeutic doses to specific regions of the spine or the brain. Although empiric trialing of intrathecal drugs is critical to determine the sustained side effects, currently there is no inexpensive in vitro method to guide the selection of spinal drug delivery parameters...
May 2017: Anesthesia and Analgesia
https://www.readbyqxmd.com/read/28430740/low-dose-computed-tomography-scans-with-automatic-exposure-control-for-patients-of-different-ages-undergoing-cardiac-pet-ct-and-spect-ct
#8
Ching-Ching Yang, Bang-Hung Yang, Chun-Yuan Tu, Tung-Hsin Wu, Shu-Hsin Liu
PURPOSE: This study aimed to evaluate the efficacy of automatic exposure control (AEC) in order to optimize low-dose computed tomography (CT) protocols for patients of different ages undergoing cardiac PET/CT and single-photon emission computed tomography/computed tomography (SPECT/CT). METHODS: One PET/CT and one SPECT/CT were used to acquire CT images for four anthropomorphic phantoms representative of 1-year-old, 5-year-old and 10-year-old children and an adult...
April 20, 2017: Nuclear Medicine Communications
https://www.readbyqxmd.com/read/28430705/disparities-in-female-breast-cancer-stage-at-diagnosis-in-new-jersey-a-spatial-temporal-analysis
#9
Lisa M Roche, Xiaoling Niu, Antoinette M Stroup, Kevin A Henry
BACKGROUND: Despite improvements in early detection of breast cancer, disparities persist in stage at diagnosis, which is an important prognostic factor. METHODS: We used the space-time scan statistic in SaTScan to identify geographic areas and time periods with significantly elevated proportions of female breast cancer diagnosed at the in situ or distant stage in New Jersey. The analyses were conducted with census tracts as the geographic unit of analysis, elliptical spatial windows, 3-year temporal windows, and Poisson models...
December 22, 2016: Journal of Public Health Management and Practice: JPHMP
https://www.readbyqxmd.com/read/28430031/evaluation-of-multidimensional-models-of-wais-iv-subtest-performance
#10
Dennis J McFarland
OBJECTIVE: The present study examined the extent to which the covariance structure of the WAIS-IV is best accounted for by models that assume that test performance is the result of group-level factors and multiple independent general factors. METHOD: Structural models with one to four general factors were evaluated with either four or five group-level factors. Simulations based on four general factors were run to clarify the adequacy of the estimates of the allocation of covariance by the models...
April 21, 2017: Clinical Neuropsychologist
https://www.readbyqxmd.com/read/28429928/a-dual-enzyme-hydrogen-peroxide-generation-machinery-in-hydrogels-supports-antimicrobial-wound-treatment
#11
Daniela Huber, Gregor Tegl, Anna Mensah, Bianca Beer, Martina Baumann, Nicole Borth, Christoph Sygmund, Roland Ludwig, Georg M Guebitz
The aging population and accompanying diseases like diabetes resulted in an increased occurrence of chronic wounds. Topical wound treatment with antimicrobial agents to inhibit bacterial invasion and promote wound healing is often associated with difficulties. Here, we investigated the potential of succinyl chitosan (SC) - carboxymethyl cellulose (CMC) hydrogels which constantly release clinically relevant levels of hydrogen peroxide (H2O2). CMC hydrogel matrix was in-situ converted by limited hydrolysis by a cellulase into substrates accepted by cellobiose dehydrogenase (CDH) for continuous production of H2O2 (30 µM over 24 h)...
April 21, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28429574/flip-angle-optimization-for-balanced-ssfp-cardiac-cine-imaging-following-the-application-of-standard-extracellular-contrast-agent-gadobutrol
#12
Daniel L R Kuetting, Darius Dabir, Julian Luetkens, Andreas Feisst, Rami Homsi, Daniel Thomas, Hans H Schild, Alois M Sprinkart
PURPOSE: To investigate the effect of the flip angle (FA) on the blood-myocardium contrast and to define the FA leading to highest image quality in contrast-enhanced balanced steady-state free precession (bSSFP) images. bSSFP images provide excellent contrast between myocardium and blood with high signal-to-noise and contrast-to-noise ratios (SNR, CNR). In clinical practice, bSSFP images are typically acquired following the injection of extracellular contrast agents (ECAs), although ECAs decrease the blood-myocardium contrast...
April 21, 2017: Journal of Magnetic Resonance Imaging: JMRI
https://www.readbyqxmd.com/read/28429382/technical-note-direct-measurement-of-clinical-mammographic-x-ray-spectra-using-a-cdte-spectrometer
#13
Josilene C Santos, Alessandra Tomal, Tânia A Furquim, Agnes M F Fausto, Maria S Nogueira, Paulo R Costa
PURPOSE: To introduce and evaluate a method developed for the direct measurement of mammographic x-ray spectra using a CdTe spectrometer. The assembly of a positioning system and the design of a simple and customized alignment device for this application is described. METHODS: A positioning system was developed to easily and accurately locate the CdTe detector in the x-ray beam. Additionally, an alignment device to line up the detector with the central axis of the radiation beam was designed...
April 21, 2017: Medical Physics
https://www.readbyqxmd.com/read/28429117/a-comparison-of-mcgrath-mac%C3%A2-and-standard-direct-laryngoscopy-in-simulated-immobilized-cervical-spine-pediatric-intubation-a-manikin-study
#14
Marcin Madziala, Jacek Smereka, Marek Dabrowski, Steve Leung, Kurt Ruetzler, Lukasz Szarpak
Emergency airway management in children is generally considered to be challenging, and endotracheal intubation requires a high level of personal skills and experience. Immobilization of the cervical spine is indicated in all patients with the risk of any cervical spine injury but significantly aggravates endotracheal intubation. The best airway device in this setting has not been established yet, although the use of videolaryngoscopes is generally promising. Seventy-five moderately experienced paramedics of the Emergency Medical Service of Poland performed endotracheal intubations in a pediatric manikin in three airway scenarios: (A) normal airway, (B) manual in-line cervical immobilization, and (C) cervical immobilization using a Patriot cervical extrication collar and using two airway techniques: (1) McGrath videolaryngoscope and (2) Macintosh blade in a randomized sequence...
April 21, 2017: European Journal of Pediatrics
https://www.readbyqxmd.com/read/28429087/the-abdoman-an-artificial-abdominal-wall-simulator-for-biomechanical-studies-on-laparotomy-closure-techniques
#15
L F Kroese, J J Harlaar, C Ordrenneau, J Verhelst, G Guérin, F Turquier, R H M Goossens, G-J Kleinrensink, J Jeekel, J F Lange
PURPOSE: Incisional hernia remains a frequent complication after abdominal surgery associated with significant morbidity and high costs. Animal and clinical studies have exhibited some limitations. The purpose of this study was to develop an artificial human abdominal wall (AW) simulator in order to enable investigations on closure modalities. We hypothesized that a physical model of the human AW would give new insight into commonly used suture techniques representing a substantial complement or alternative to clinical and animal studies...
April 20, 2017: Hernia: the Journal of Hernias and Abdominal Wall Surgery
https://www.readbyqxmd.com/read/28428912/biomechanical-evaluation-of-carpal-kinematics-during-simulated-wrist-motion
#16
Helen Stoesser, Clare E Padmore, Masao Nishiwaki, Braden Gammon, G Daniel G Langohr, James A Johnson
Background Flexion and extension of the wrist is achieved primarily at the radiocarpal and midcarpal joints. Carpal kinematics have been investigated, although there remains no consensus regarding the relative contribution of each bone to wrist motion. Purpose To determine the kinematics of the scaphoid, lunate, and capitate during unconstrained simulated wrist flexion/extension and to examine the effect of motion direction on the contribution of each bone. Materials and Methods Seven cadaveric upper extremities were tested in a passive wrist simulator with 10N tone loads applied to the wrist flexors/extensors...
May 2017: Journal of Wrist Surgery
https://www.readbyqxmd.com/read/28428910/role-of-the-interosseous-membrane-in-preventing-distal-radioulnar-gapping
#17
Frederick W Werner, Matthew R LeVasseur, Brian J Harley, Ashley Anderson
Background Damage to the interosseous membrane (IOM) can alter load transmission between the radius and ulna and decrease their axial stability. Less is known about the effect of IOM sectioning on the transverse stability between the radius and ulna. Purpose The purpose of this study was to quantify the radioulnar gapping at the distal radioulnar joint (DRUJ) during forearm rotation when the IOM was experimentally sectioned while maintaining the integrity of the distal radioulnar ligaments. Methods In 12 fresh-frozen cadaver forearms tested in a combined wrist-forearm simulator, the increase in gap between the radius and ulna, at the level of the DRUJ, was determined during cyclic forearm rotation following IOM sectioning...
May 2017: Journal of Wrist Surgery
https://www.readbyqxmd.com/read/28428604/in-vitro-cavity-and-crown-preparations-and-direct-restorations-a-comparison-of-performance-at-the-start-and-end-of-the-fd-programme
#18
F J T Burke, V Ravaghi, L Mackenzie, N Priest, H C Falcon
Aim To assess the performance and thereby the progress of the FDs when they carried out a number of simulated clinical exercises at the start and at the end of their FD year.Methods A standardised simulated clinical restorative dentistry training exercise was carried out by a group of 61 recently qualified dental graduates undertaking a 12 months' duration foundation training programme in England, at both the start and end of the programme. Participants completed a Class II cavity preparation and amalgam restoration, a Class IV composite resin restoration and two preparations for a porcelain-metal full crown...
April 21, 2017: British Dental Journal
https://www.readbyqxmd.com/read/28428160/simulated-conversations-with-virtual-humans-to-improve-patient-provider-communication-and-reduce-unnecessary-prescriptions-for-antibiotics-a-repeated-measure-pilot-study
#19
Antoinette Schoenthaler, Glenn Albright, Judith Hibbard, Ron Goldman
BACKGROUND: Despite clear evidence that antibiotics do not cure viral infections, the problem of unnecessary prescribing of antibiotics in ambulatory care persists, and in some cases, prescribing patterns have increased. The overuse of antibiotics for treating viral infections has created numerous economic and clinical consequences including increased medical costs due to unnecessary hospitalizations, antibiotic resistance, disruption of gut bacteria, and obesity. Recent research has underscored the importance of collaborative patient-provider communication as a means to reduce the high rates of unnecessary prescriptions for antibiotics...
April 19, 2017: JMIR Medical Education
https://www.readbyqxmd.com/read/28427558/a-computational-approach-to-identify-the-biophysical-and-structural-aspects-of-methylenetetrahydrofolate-reductase-mthfr-mutations-a222v-e429a-and-r594q-leading-to-schizophrenia
#20
Himani Tanwar, P Sneha, D Thirumal Kumar, R Siva, Charles Emmanuel Jebaraj Walter, C George Priya Doss
The association between depression and methylenetetrahydrofolate reductase (MTHFR) has been continually demonstrated in clinical studies, yet there are sparse resources available to build a relationship between the mutations associated with MTHFR and depression. The common mutations found to be associated with schizophrenia and MTHFR are A222V, E429A, and R594Q. Although abundant research on structural and functional effects caused by A222V mutation is available, very less amount of studies have been done on the other two mutants (E429A and R594Q)...
2017: Advances in Protein Chemistry and Structural Biology
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