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https://www.readbyqxmd.com/read/28806696/dft-approach-to-benzylthio-acetic-acid-conformational-search-molecular-monomer-and-dimer-structure-vibrational-spectroscopy-and-some-electronic-properties
#1
Justyna Sienkiewicz-Gromiuk
The DFT studies were carried out with the B3LYP method utilizing the 6-31G and 6-311++G(d,p) basis sets depending on whether the aim of calculations was to gain the geometry at equilibrium, or to calculate the optimized molecular structure of (benzylthio)acetic acid (Hbta) in the forms of monomer and dimer. The minimum conformational energy search was followed by the potential energy surface (PES) scan of all rotary bonds existing in the acid molecule. The optimized geometrical monomeric and dimeric structures of the title compound were compared with the experimental structural data in the solid state...
July 29, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28802811/effects-of-respiratory-training-on-heart-rate-variability-and-baroreflex-sensitivity-in-individuals-with-chronic-spinal-cord-injury
#2
Bonnie E Legg Ditterline, Sevda C Aslan, David C Randall, Susan J Harkema, Camilo Castillo, Alexander V Ovechkin
OBJECTIVE: To evaluate the effects of pressure threshold respiratory training (RT) on heart rate variability and baroreflex sensitivity in persons with chronic spinal cord injury (SCI). DESIGN: Before-after intervention case-controlled clinical study. SETTING: SCI research center and outpatient rehabilitation unit. PARTICIPANTS: Persons with chronic SCI ranging from C2 to T11 that participated in RT (n=24) and untrained chronic SCI controls ranging from C2 to T9 (n=20)...
August 9, 2017: Archives of Physical Medicine and Rehabilitation
https://www.readbyqxmd.com/read/28802426/comparison-between-antegrade-intramedullary-nailing-imn-open-reduction-plate-osteosynthesis-orpo-and-minimally-invasive-plate-osteosynthesis-mipo-in-treatment-of-humerus-diaphyseal-fractures
#3
Vidisha Sunil Kulkarni, Madhura Sujay Kulkarni, Govind Shivram Kulkarni, Vaibhav Goyal, Milind Govind Kulkarni
INTRODUCTION: The three currently used methods of treatment: namely open reduction plate osteosynthesis (ORPO), Minimally invasive plate osteosynthesis (MIPO), antegrade intramedullary nailing(IMN) are all reported as satisfactory procedures for treatment of humeral shaft fractures. However none of the published reports have a comparison of superiority of one procedure over the other. We evaluated the clinical, radiological and functional outcome of the three procedures. MATERIALS AND METHODS: We studied adult patients with humerus shaft fractures over a period of 2 years from May 2014 to May 2016 in a level 1 trauma center...
August 2017: Injury
https://www.readbyqxmd.com/read/28802213/influence-of-nitrogen-doping-in-sumanene-framework-toward-hydrogen-storage-a-computational-study
#4
Adel Reisi-Vanani, Fatemeh Shamsali
Two conditions are important to obtain appropriate substances for hydrogen storage; high surface area and fitting binding energy (BE). Doping is a key strategy that improves BE. We investigated hydrogen adsorption onto twenty six nitrogen disubstituted isomers of sumanene (C19N2H12) by MP2/6-311++G(d,p)//B3LYP/6-31+G(d) and M06-2X/6-31+G(d) levels of theory. Effect of nitrogen doping in different positions of sumanene was checked. To obtain better BE, basis set superposition error (BSSE) and zero point energy (ZPE) corrections were used...
July 21, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28800789/indicators-of-poorly-controlled-asthma-and-health-related-quality-of-life-among-school-age-children-in-the-united-states
#5
(no author information available yet)
BACKGROUND: Poorly controlled asthma has far-reaching effects on school-age children and their parents, but little is knownabout the national impact on health-related quality of life (HRQoL). OBJECTIVE: To examine HRQoL associated with asthma and indicators of poorly controlled asthma in the United States. METHODS: This was a cross-sectional analysis of HRQoL among school-age children (age range, 6-17 years) with asthma in the nationally representative 2007-2013 Medical Expenditure Panel Survey (MEPS)...
August 11, 2017: Allergy and Asthma Proceedings:
https://www.readbyqxmd.com/read/28800472/phthalate-and-bisphenol-a-exposure-during-in-utero-windows-of-susceptibility-in-relation-to-reproductive-hormones-and-pubertal-development-in-girls
#6
Deborah J Watkins, Brisa N Sánchez, Martha Maria Téllez-Rojo, Joyce M Lee, Adriana Mercado-García, Clara Blank-Goldenberg, Karen E Peterson, John D Meeker
BACKGROUND: Over the past several decades, the age of pubertal onset in girls has shifted downward worldwide. As early pubertal onset is associated with increased risky behavior and psychological issues during adolescence and cardiometabolic disease and cancer in adulthood, this is an important public health concern. Exposure to endocrine disrupting chemicals during critical windows of in utero development may play a role in this trend. Our objective was to investigate trimester-specific phthalate and BPA exposure in relation to pubertal development among girls in the Early Life Exposure in Mexico to Environmental Toxicants (ELEMENT) birth cohort...
August 8, 2017: Environmental Research
https://www.readbyqxmd.com/read/28800341/robotic-assisted-gait-training-combined-with-transcranial-direct-current-stimulation-in-chronic-stroke-patients-a-pilot-double-blind-randomized-controlled-trial
#7
Han Gil Seo, Woo Hyung Lee, Seung Hak Lee, Youbin Yi, Kwang Dong Kim, Byung-Mo Oh
BACKGROUND: Although robotic-assisted gait training (RAGT) is becoming a standard method in stroke rehabilitation, its effect on chronic stroke patients is uncertain. OBJECTIVE: This study aimed to investigate whether anodal tDCS (transcranial direct current stimulation) enhances the effect of RAGT on functional ambulation in chronic stroke patients. METHODS: Chronic hemiplegic stroke patients with a Functional Ambulatory Category (FAC) score≤4 were randomly assigned to either the RAGT with anodal tDCS (Anodal) group or the sham tDCS (Sham) group...
August 11, 2017: Restorative Neurology and Neuroscience
https://www.readbyqxmd.com/read/28796636/effect-of-tms-coil-orientation-on-the-spatial-distribution-of-motor-evoked-potentials-in-an-intrinsic-hand-muscle
#8
Victor Hugo Souza, Taian Martins Vieira, André Salles Cunha Peres, Marco Antonio Cavalcanti Garcia, Claudia Domingues Vargas, Oswaldo Baffa
Previous reports on the relationship between coil orientation and amplitude of motor evoked potential (MEP) in transcranial magnetic stimulation (TMS) did not consider the effect of electrode arrangement. Here we explore this open issue by investigating whether TMS coil orientation affects the amplitude distribution of MEPs recorded from the abductor pollicis brevis (APB) muscle with a bi-dimensional grid of 61 electrodes. Moreover, we test whether conventional mono- and bipolar montages provide representative MEPs compared to those from the grid of electrodes...
August 10, 2017: Biomedizinische Technik. Biomedical Engineering
https://www.readbyqxmd.com/read/28796385/muscle-length-effect-on-corticospinal-excitability-during-maximal-concentric-isometric-and-eccentric-contractions-of-the-knee-extensors
#9
Valentin Doguet, Kazunori Nosaka, Arnaud Guével, Gary Thickbroom, Kazuhiro Ishimura, Marc Jubeau
Neural control of eccentric contractions differs from that of concentric and isometric contractions, but no previous study has compared responses to motor cortex stimulations at long muscle lengths during such contraction types. This study compared the effect of muscle length on corticospinal excitability between maximal concentric, isometric and eccentric contractions of the knee extensors. Twelve males performed 12 maximal concentric, isometric and eccentric voluntary contractions (36 contractions in total), separated by a 5-min rest between contraction types...
August 10, 2017: Experimental Physiology
https://www.readbyqxmd.com/read/28790251/-resection-of-a-posterior-mediastinal-tumor-using-intraoperative-motor-evoked-potential-monitoring-report-of-a-case
#10
Motoaki Yasukawa, Tsunenori Takatani, Masahiko Kawaguchi, Takeshi Kawaguchi, Norikazu Kawai, Takashi Tojo, Shigeki Taniguchi
A 20-year-old man with a posterior mediastinal tumor incidentally found on a chest X-ray was referred to our hospital. Chest computed tomography showed a 3 cm nodule located on the left side of the 10-11th thoracic vertebra, where the artery of Adamkiewicz is presumed to arise. He underwent left thoracotomy to remove the lesion. The tumor was safely resected with the assistance of intraoperative motor evoked potential(MEP) monitoring. The postoperative diagnosis was a benign schwannoma. In thoracic surgery for posterior mediastinal tumors, intraoperative MEP monitoring is useful for preventing paraplegia...
August 2017: Kyobu Geka. the Japanese Journal of Thoracic Surgery
https://www.readbyqxmd.com/read/28783455/environmental-barriers-to-participation-and-facilitators-for-use-of-three-types-of-assistive-technology-devices
#11
Cathrine Widehammar, Helene Lidström, Liselotte Hermansson
The aim was to compare the presence of environmental barriers to participation and facilitators for assistive technology (AT) use and study the relation between barriers and AT use in three different AT devices. A cross-sectional survey was conducted. Inclusion criteria were ?one year of experience as a user of myoelectric prosthesis (MEP), powered mobility device (PMD), or assistive technology for cognition (ATC) and age 20-90 years. Overall, 156 participants answered the Swedish version of the Craig Hospital Inventory of Environmental Factors and a study-specific questionnaire on facilitating factors...
August 7, 2017: Assistive Technology: the Official Journal of RESNA
https://www.readbyqxmd.com/read/28782697/the-role-of-brachioradialis-release-during-ao-type-c-distal-radius-fracture-fixation
#12
Tao Ma, Xin Zheng, Xiao-Bo He, Kai-Jin Guo
INTRODUCTION: Open reduction and internal fixation of distal radius fractures often necessitates release of the brachioradialis from the radial styloid. However, whether this common procedure makes the reduction and fixation easier and affects the elbow function has not been fully understood. HYPOTHESIS: Brachioradialis (BR) release during volar plate fixation for type C distal radius fractures makes internal reduction and fixation easier, and it does not adversely affect wrist or elbow function...
August 3, 2017: Orthopaedics & Traumatology, Surgery & Research: OTSR
https://www.readbyqxmd.com/read/28779945/cumulative-effects-of-single-tms-pulses-during-beta-tacs-are-stimulation-intensity-dependent
#13
Valerio Raco, Robert Bauer, Sandro Norim, Alireza Gharabaghi
BACKGROUND: Single transcranial magnetic stimulation (TMS) pulses activate different components of the motor cortex neural circuitry in a stimulation intensity-dependent way and may lead to a cumulative increase of corticospinal excitability (CSE) during the same stimulation session. Furthermore, transcranial alternating current stimulation (tACS) has been shown to increase in a frequency-specific way the level of CSE probed by single-pulse TMS. The interaction of these two phenomena, i...
July 27, 2017: Brain Stimulation
https://www.readbyqxmd.com/read/28776447/analysis-of-imidazoles-and-triazoles-in-biological-samples-after-microextraction-by-packed-sorbent
#14
Cristina Campestre, Marcello Locatelli, Paolo Guglielmi, Elisa De Luca, Giuseppe Bellagamba, Sergio Menta, Gokhan Zengin, Christian Celia, Luisa Di Marzio, Simone Carradori
This paper reports the MEPS-HPLC-DAD method for the simultaneous determination of 12 azole drugs (bifonazole, butoconazole, clotrimazole, econazole, itraconazole, ketoconazole, miconazole, posaconazole, ravuconazole, terconazole, tioconazole and voriconazole) administered to treat different systemic and topical fungal infections, in biological samples. Azole drugs separation was performed in 36 min. The analytical method was validated in the ranges as follows: 0.02-5 μg mL(-1) for ravuconazole; 0.2-5 μg mL(-1) for terconazole; 0...
December 2017: Journal of Enzyme Inhibition and Medicinal Chemistry
https://www.readbyqxmd.com/read/28770112/anodal-transcranial-direct-current-stimulation-provokes-neuroplasticity-in-repetitive-mild-traumatic-brain-injury-in-rats
#15
Ho Jeong Kim, Soo Jeong Han
Repetitive mild traumatic brain injury (rmTBI) provokes behavioral and cognitive changes. But the study about electrophysiologic findings and managements of rmTBI is limited. In this study, we investigate the effects of anodal transcranial direct current stimulation (tDCS) on rmTBI. Thirty-one Sprague Dawley rats were divided into the following groups: sham, rmTBI, and rmTBI treated by tDCS. Animals received closed head mTBI three consecutive times a day. Anodal tDCS was applied to the left motor cortex. We evaluated the motor-evoked potential (MEP) and the somatosensory-evoked potential (SEP)...
2017: Neural Plasticity
https://www.readbyqxmd.com/read/28765907/antidepressant-like-effects-of-marasmius%C3%A2-androsaceus-metabolic-exopolysaccharides-on-chronic-unpredictable-mild-stress-induced-rat-model
#16
Jia Song, Xue Wang, Yu Huang, Yidi Qu, Lesheng Teng, Di Wang, Zhaoli Meng
Marasmius androsaceus (M. androsaceus), a medicinal fungus, has various pharmacological activities including antidepression. The present study investigated the effects of exopolysaccharides obtained during M. androsaceus submerged fermentation in a chronic unpredictable mild stress (CUMS)‑induced depression rat model. Similar to fluoxetine (positive drug), 4‑week administration of M. androsaceus exopolysaccharides (MEPS) at doses of 6, 30 and 150 mg/kg strongly enhanced bodyweight gain and sucrose consumption, and reduced the immobility time in forced swimming test and tail suspension test in CUMS rats...
August 2, 2017: Molecular Medicine Reports
https://www.readbyqxmd.com/read/28765533/development-of-an-integrated-monte-carlo-model-for-glioblastoma-multiforme-treated-with-boron-neutron-capture-therapy
#17
Leyla Moghaddasi, Eva Bezak
Glioblastomas (GBM) are notorious for their high fatality rate. Boron Neutron Capture Therapy (BNCT) being a biochemically targeted type of radiotherapy is a potent modality for GBM. In the current work, a BNCT treatment modelling framework for GBM was developed. Optimal Clinical Target Volume (CTV) margins for GBM-BNCT and the BNCT efficacy have been investigated. The model integrated a cell-based dosimetry model, an in-house-developed epithermal neutron beam model and previously-developed Microscopic Extension Probability (MEP) model...
August 1, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28761001/dna-damage-tolerance-in-hematopoietic-stem-and-progenitor-cells-in-mice
#18
Bas Pilzecker, Olimpia Alessandra Buoninfante, Paul van den Berk, Cesare Lancini, Ji-Ying Song, Elisabetta Citterio, Heinz Jacobs
DNA damage tolerance (DDT) enables bypassing of DNA lesions during replication, thereby preventing fork stalling, replication stress, and secondary DNA damage related to fork stalling. Three modes of DDT have been documented: translesion synthesis (TLS), template switching (TS), and repriming. TLS and TS depend on site-specific PCNA K164 monoubiquitination and polyubiquitination, respectively. To investigate the role of DDT in maintaining hematopoietic stem cells (HSCs) and progenitors, we used Pcna(K164R/K164R) mice as a unique DDT-defective mouse model...
July 31, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28758573/shrinking-lung-syndrome-in-systemic-lupus-erythematosus-a-single-centre-experience
#19
M Deeb, K Tselios, D D Gladman, J Su, M B Urowitz
Introduction Shrinking lung syndrome (SLS) is a rare manifestation of systemic lupus erythematosus (SLE), characterized by decreased lung volumes and extra-pulmonary restriction. The aim of this study was to describe the characteristics of SLS in our lupus cohort with emphasis on prevalence, presentation, treatment and outcomes. Patients and methods Patients attending the Toronto Lupus Clinic since 1980 ( n = 1439) and who had pulmonary function tests (PFTs) performed during follow-up were enrolled ( n = 278)...
January 1, 2017: Lupus
https://www.readbyqxmd.com/read/28758184/motor-evoked-potentials-and-bis-guided-anaesthesia-in-image-guided-mini-invasive-neurosurgery-of-supratentorial-tumors-nearby-the-cortico-spinal-tract
#20
Roberto Cordella, Eleonora Orena, Francesco Acerbi, Elena Beretta, Dario Caldiroli, Francesco Dimeco, Carla Carozzi
AIM: to describe and evaluate the anaesthesiological regimen used in neurophysiologically monitored image-guided mini-invasive neurosurgery. MATERIAL AND METHODS: 24 patients underwent elective surgery under general anaesthesia that was administered through Target Controlled Infusion (TCI) for effect-site concentration (Ce) of Propofol and Remifentanil, targeting Bispectral Index (BIS) in the 40-60 intervals. Stimulating intensity of transcranial motor evoked potentials (tMEP), BIS index, Propofol and Remifentanil Ce were collected at MEPs threshold (T) definition (respectively BIS@T, CeProp@T and CeRemi@T)...
June 14, 2017: Turkish Neurosurgery
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