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https://www.readbyqxmd.com/read/28106058/selective-gating-to-vibrational-modes-through-resonant-x-ray-scattering
#1
Rafael C Couto, Vinícius V Cruz, Emelie Ertan, Sebastian Eckert, Mattis Fondell, Marcus Dantz, Brian Kennedy, Thorsten Schmitt, Annette Pietzsch, Freddy F Guimarães, Hans Ågren, Faris Gel'mukhanov, Michael Odelius, Victor Kimberg, Alexander Föhlisch
The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes...
January 20, 2017: Nature Communications
https://www.readbyqxmd.com/read/28104487/comparison-of-a-special-designed-high-intensity-coil-to-a-standard-round-coil-tms-setting
#2
Andrea Szelényi, Julia Wölfle, Igor Fischer, Hans-Jakob Steiger, Michael Sabel
BACKGROUND: Routine diagnostic Transcranial Magnetic Stimulation (TMS) is performed with a round coil (RC) for cranial and spinal root stimulation, being less successful for motor evoked potentials (MEP) of lower limb muscles. MEP elicited with a special configured flat figure-of-eight coil designed for high intensity stimulation (HI-coil) were compared to RC with regard to handling, efficiency, and physiological properties of MEP. NEW METHODS: MEP elicited with HI-coil and 9-cm diameter RC for cortical, spinal and peripheral stimulation (PES) were compared for Motor threshold (MT), latencies and amplitudes of bilateral Abductor pollicis brevis (APB) and Abductor hallucis muscles (AH)...
January 16, 2017: Journal of Neuroscience Methods
https://www.readbyqxmd.com/read/28102689/high-dimensional-atomistic-neural-network-potentials-for-molecule-surface-interactions-hcl-scattering-from-au-111
#3
Brian Kolb, Xuan Luo, Xueyao Zhou, Bin Jiang, Hua Guo
Ab initio molecular dynamics (AIMD) simulations of molecule-surface scattering allow first-principles characterization of the dynamics. However, the large number of density functional theory calculations along the trajectories are very costly, limiting simulations of long-time events. To avoid this computational bottleneck, we report here the development of a high-dimensional molecule-surface interaction potential energy surface (PES) with movable surface atoms, using a machine learning approach. With 60 degrees of freedom, this PES allows energy transfer between the impinging molecule and surface atoms...
January 19, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28101902/global-exploration-of-isomers-and-isomerization-channels-on-the-quantum-chemical-potential-energy-surface-of-h3-cno3
#4
Koichi Ohno, Naoki Kishimoto, Takeaki Iwamoto, Hiroko Satoh
Global exploration of isomers and isomerization channels on the quantum chemical potential energy surface (PES) is performed for H3 CNO3 using the Scaled Hypersphere Search-Anharmonic Downward Distortion Following (SHS-ADDF) method. The molecular formula of H3 CNO3 includes functional groups of CH3 , OH, NH2 , COOH, NO, NO2 , and NO3 , which are very important in connection with amino acids and NOx. Geometrical structures and interconversion pathways are disclosed after 18719781 force calculations and 534726 Hessian calculations at the level of B3LYP/6-31G(d)...
January 19, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28101587/factors-limiting-formation-of-community-forestry-enterprises-in-the-southern-mixteca-region-of-oaxaca-mexico
#5
José Antonio Hernández-Aguilar, Héctor Sergio Cortina-Villar, Luis Enrique García-Barrios, Miguel Ángel Castillo-Santiago
Many studies have considered community-based forestry enterprises to be the best option for development of rural Mexican communities with forests. While some of Mexico's rural communities with forests receive significant economic and social benefits from having a community forestry enterprise, the majority have not formed such enterprises. The purpose of this article is to identify and describe factors limiting the formation of community forestry enterprise in rural communities with temperate forests in the Southern Mixteca region of Oaxaca, Mexico...
January 18, 2017: Environmental Management
https://www.readbyqxmd.com/read/28095020/current-status-of-ventilation-perfusion-scintigraphy-for-suspected-pulmonary-embolism
#6
Darlene Metter, Mark Tulchinsky, Leonard M Freeman
OBJECTIVE: The purpose of this article is to outline recent progress made in ventilation-perfusion (V/Q) scintigraphy imaging techniques and the interpretation systems used for the diagnosis of pulmonary embolism (PE). Various state-of-the-art approaches that can be selected according to the needs dictated by the medical practice environment and specific patient groups are presented. CONCLUSION: Although advances in tomographic imaging have certainly improved the sensitivity of V/Q scans for the diagnosis of PE, they may lead to overdiagnosis by revealing small and clinically insignificant PEs...
January 17, 2017: AJR. American Journal of Roentgenology
https://www.readbyqxmd.com/read/28089855/peripheral-electrical-stimulation-increases-corticomotor-excitability-and-enhances-the-rate-of-visuomotor-adaptation
#7
Simon J Summers, Siobhan M Schabrun, Welber Marinovic, Lucy S Chipchase
Peripheral electrical stimulation (PES) modulates corticomotor excitability but its effect on motor performance has not been thoroughly investigated. The purpose of this study was to assess whether increases and/or decreases in corticomotor excitability, induced by PES, influenced motor performance using a visuomotor adaptation task. Three PES interventions (motor stimulation, sensory stimulation or sham) were delivered to the first dorsal interosseous (FDI) in 30 healthy participants matched for age, gender and handedness...
January 12, 2017: Behavioural Brain Research
https://www.readbyqxmd.com/read/28089693/effects-of-six-priority-controlled-phthalate-esters-with-long-term-low-dose-integrated-exposure-on-male-reproductive-toxicity-in-rats
#8
Hai-Tao Gao, Run Xu, Wei-Xin Cao, Liang-Liang Qian, Min Wang, Lingeng Lu, Qian Xu, Shu-Qin Yu
Human beings are inevitably exposed to ubiquitous phthalate esters (PEs) surroundings. The purposes of this study were to investigate the effects of long-term low-dose exposure to the mixture of six priority controlled phthalate esters (MIXPs): dimethyl phthalate (DMP), diethyl phthalate (DEP), di(n-butyl) phthalate (DBP), butyl benzyl phthalate (BBP), di(2-ethyhexyl) phthalate (DEHP) and di-n-octyl phthalate (DNOP), on male rat reproductive system and further to explore the underlying mechanisms of the reproductive toxicity...
January 12, 2017: Food and Chemical Toxicology
https://www.readbyqxmd.com/read/28089278/estimating-uptake-of-phthalate-ester-metabolites-into-the-human-nail-plate-using-pharmacokinetic-modelling
#9
Thuy T Bui, Andreia Alves, Anna Palm-Cousins, Stefan Voorspoels, Adrian Covaci, Ian T Cousins
There is a lack of knowledge regarding uptake of phthalate esters (PEs) and other chemicals into the human nail plate and thus, clarity concerning the suitability of human nails as a valid alternative matrix for monitoring long-term exposure. In particular, the relative importance of internal uptake of phthalate metabolites (from e.g. blood) compared to external uptake pathways is unknown. This study provides first insights into the partitioning of phthalate-metabolites between blood and nail using pharmacokinetic (PK) modelling and biomonitoring data from a Norwegian cohort...
January 11, 2017: Environment International
https://www.readbyqxmd.com/read/28088567/simple-fabrication-of-zeolitic-imidazolate-framework-zif-8-polymer-composite-beads-by-phase-inversion-method-for-efficient-oil-sorption
#10
Zahra Abbasi, Ezzatollah Shamsaei, Xi-Ya Fang, Bradley Ladewig, Huanting Wang
Zeolitic imidazolate framework ZIF-8 beads of 2-3mm in diameter were prepared using a simple one-step phase inversion method. The beads were fabricated by different amounts of ZIF-8 to polyether sulfone (PES) ratios. ZIF-8 played the role of an adsorbent while PES acted as a binder in the composite matrix to keep the ZIF-8 particles. Since ZIF-8 is highly hydrophobic, the beads floated on water and adsorbed oil droplets successfully. This efficient oil adsorption is attributed to the hydrophobicity and high surface area of ZIF-8 particles which can effectively adsorb oil droplets...
January 5, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28074877/microwave-synthesized-freestanding-iron-carbon-nanotubes-on-polyester-composites-of-woven-kevlar-fibre-and-silver-nanoparticle-decorated-graphene
#11
Ankita Hazarika, Biplab K Deka, DoYoung Kim, Kyungil Kong, Young-Bin Park, Hyung Wook Park
We synthesized Ag nanoparticle-decorated multilayered graphene nanosheets (Ag-graphene) from graphite nanoplatelets and silver nitrate through 90-100 s of microwave exposure, without the use of any mineral acids or harsh reducing agents. Fe nanoparticle-decorated carbon nanotubes (Fe-CNTs) were grown on polypyrrole (PPy) deposited on woven Kevlar fibre (WKF), using ferrocene as a catalyst, under microwave irradiation. Fe-CNTs grown on WKF and Ag-graphene dispersed in polyester resin (PES) were combined to fabricate Ag-graphene/Fe-CNT/PPy-coated WKF/PES composites by vacuum-assisted resin transfer moulding...
January 11, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28068096/photoabsorption-assignments-for-the-%C3%AB-c-1-b2-%C3%A2-%C3%AB-x-1-a1-vibronic-transitions-of-so2-using-new-ab-initio-potential-energy-and-transition-dipole-surfaces
#12
Praveen Kumar, Bin Jiang, Hua Guo, Jacek Klos, Millard H Alexander, Bill Poirier
The high resolution spectroscopy of the SO 2 molecule is of great topical interest, in a wide variety of contexts ranging from origins of higher life, to astrophysics of the interstellar medium, to environmental chemistry. In particular, the C̃ 1 B 2 ← X̃ 1 A 1 UV photoabsorption spectrum has received considerable attention. This spectrum exhibits a highly regular progression of ∼ 20 or so strong peaks, spaced roughly 350 cm -1 apart, which is comparable to the C̃ 1 B 2 bending vibrational frequency...
January 9, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28065209/the-association-between-childhood-adversities-and-subsequent-first-onset-of-psychotic-experiences-a-cross-national-analysis-of-23-998-respondents-from-17-countries
#13
J J McGrath, K A McLaughlin, S Saha, S Aguilar-Gaxiola, A Al-Hamzawi, J Alonso, R Bruffaerts, G de Girolamo, P de Jonge, O Esan, S Florescu, O Gureje, J M Haro, C Hu, E G Karam, V Kovess-Masfety, S Lee, J P Lepine, C C W Lim, M E Medina-Mora, Z Mneimneh, B E Pennell, M Piazza, J Posada-Villa, N Sampson, M C Viana, M Xavier, E J Bromet, K S Kendler, R C Kessler
BACKGROUND: Although there is robust evidence linking childhood adversities (CAs) and an increased risk for psychotic experiences (PEs), little is known about whether these associations vary across the life-course and whether mental disorders that emerge prior to PEs explain these associations. METHOD: We assessed CAs, PEs and DSM-IV mental disorders in 23 998 adults in the WHO World Mental Health Surveys. Discrete-time survival analysis was used to investigate the associations between CAs and PEs, and the influence of mental disorders on these associations using multivariate logistic models...
January 9, 2017: Psychological Medicine
https://www.readbyqxmd.com/read/28062139/efficacy-and-safety-of-everolimus-and-zotarolimus-eluting-stents-versus-first-generation-drug-eluting-stents-in-patients-with-diabetes-a-meta-analysis-of-randomized-trials
#14
Chirag Bavishi, Usman Baber, Sadik Panwar, Stefania Pirrotta, George D Dangas, Pedro Moreno, Jacqueline Tamis-Holland, Annapoorna S Kini, Samin K Sharma
INTRODUCTION: Patients with diabetes and coronary artery disease remain at high risk for adverse cardiovascular events after percutaneous coronary intervention. The efficacy and safety of the various drug-eluting stents (DES) in patients with diabetes is unclear. METHODS: Randomized controlled trials comparing first-generation DES [paclitaxel-eluting stents (PES) and sirolimus-eluting stents (SES)] with everolimus-eluting stents (EES) and zotarolimus-eluting stents (ZES) in diabetic patients were systematically searched...
December 27, 2016: International Journal of Cardiology
https://www.readbyqxmd.com/read/28060490/self-healing-hydrogel-pore-filled-water-filtration-membranes
#15
Bezawit A Getachew, Sang-Ryoung Kim, Jae-Hong Kim
Damages to water filtration membranes during installation and operation are known to cause detrimental loss of the product water quality. Membranes that have the ability to self-heal would recover their original rejection levels autonomously, bypassing the need for costly integrity monitoring and membrane replacement practices. Herein, we fabricated hydrogel pore-filled membranes via in situ graft polymerization of 2-acrylamido-2-methyl-1-propanesulfonic acid (AMPS) onto microporous poly(ether sulfone) (PES) substrates and successfully demonstrated their self-healing ability...
January 6, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/28059031/temporal-prediction-errors-affect-short-term-memory-scanning-response-time
#16
Roberto Limongi, Angélica M Silva
The Sternberg short-term memory scanning task has been used to unveil cognitive operations involved in time perception. Participants produce time intervals during the task, and the researcher explores how task performance affects interval production - where time estimation error is the dependent variable of interest. The perspective of predictive behavior regards time estimation error as a temporal prediction error (PE), an independent variable that controls cognition, behavior, and learning. Based on this perspective, we investigated whether temporal PEs affect short-term memory scanning...
November 2016: Experimental Psychology
https://www.readbyqxmd.com/read/28054461/comparative-efficacy-of-sirolimus-eluting-stents-and-paclitaxel-eluting-stents-in-east-asian-versus-non-east-asian-patients-a-systematic-review-meta-analysis
#17
Rui Zhao, Qianwei Lu, Rui Yang, Jianlin Du, Songbo Deng, Qiang She
BACKGROUND: First-generation drug-eluting stents - such as the sirolimus-eluting stent (SES) and paclitaxel-eluting stent (PES) - have become attractive options for percutaneous coronary intervention (PCI) and are still widely used in Asia. However, the effect of East Asian ethnicity on their efficacy remains unclear. METHODS: Pubmed, EMBASE, and the Cochrane Central Register of Controlled Trials were searched for randomized controlled trials comparing the efficacy of the Cypher SES and Taxus PES...
January 5, 2017: Cardiovascular Therapeutics
https://www.readbyqxmd.com/read/28054272/enhanced-bacterial-affinity-of-pvdf-membrane-its-application-as-improved-sea-water-sampling-tool-for-environmental-monitoring
#18
Sweta Binod Kumar, Preeti Sharnagat, Paramita Manna, Amit Bhattacharya, Soumya Haldar
Isolation of diversified bacteria from seawater is a major challenge in the field of environmental microbiology. In the present study, an attempt has been made to select specific membrane with improved property of attaching diversified bacteria. Initially, different concentrations (15, 18, and 20% W/W) of polysulfone (PSF) were used to check their affinity for the attachment of selected gram-positive (Bacillus subtilis) and gram-negative (Escherichia coli) bacteria. Among these, 20% W/W PSF showed maximum attachment...
January 5, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28052332/normal-fluoroscopic-appearance-status-post-successful-endoscopic-zenker-diverticulotomy
#19
Naren N Venkatesan, Lisa M Evangelista, Maggie A Kuhn, Peter C Belafsky
OBJECTIVE: Endoscopic Zenker diverticulotomy (EZD) is a primary treatment for Zenker diverticulum (ZD). During EZD, the diverticulum is not excised, and interpretation of postoperative videofluoroscopic swallow study (VFSS) is challenging. The purpose of this investigation was to describe normal VFSS findings status post-successful EZD. METHODS: The charts of all patients with ZD treated at our center between October 01, 2011, and May 30, 2014, were abstracted. Outcome measures included recidivistic diverticulum size, Eating Assessment Tool-10 (EAT-10), penetration aspiration scale, pharyngeal constriction ratio (PCR), and pharyngoesophageal segment (PES) opening...
January 4, 2017: Laryngoscope
https://www.readbyqxmd.com/read/28046106/rural-household-preferences-for-active-participation-in-payment-for-ecosystem-service-programs-a-case-in-the-miyun-reservoir-catchment-china
#20
Hao Li, Michael T Bennett, Xuemei Jiang, Kebin Zhang, Xiaohui Yang
Many payment for ecosystem services (PES) programs, such as the Slope Land Conversion Program (SLCP), are passive and require full participation by impacted households. In contrast, this study considers the alternative of "active and incomplete" participation in PES programs, in which participants are not obliged to contract their own land, and have the right to select into the program or not. This type of program has been popular over the last decade in China; however, there have been few studies on the characteristics of willingness to participate and implementation...
2017: PloS One
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