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https://www.readbyqxmd.com/read/29431443/quantum-chemical-and-statistical-rate-theory-studies-of-the-vinyl-hydroperoxides-formed-in-trans-2-butene-and-2-3-dimethyl-2-butene-ozonolysis
#1
Keith T Kuwata, Lina Luu, Alexander B Weberg, Ke Huang, Austin J Parsons, Liam A Peebles, Nathan B Rackstraw, Min Ji Kim
The vinyl hydroperoxide (VHP), the major isomerization product of the syn-alkyl Criegee intermediate (CI) formed in alkene ozonolysis, is a direct precursor of hydroxyl radical (OH), the most important oxidant in the troposphere. While simulations of CI reactivity have usually assumed the VHP to be a prompt and quantitative source of OH, recent quantum chemical studies have revealed subtleties in VHP reactivity such as a barrier to peroxy bond homolysis and a possible rearrangement to a hydroxycarbonyl. In this work, we use M06-L, Weizmann-1 Brueckner Doubles, and equation-of-motion spin-flip coupled-cluster theories to calculate a comprehensive reaction mechanism for the syn and anti conformers of the parent VHP formed in trans-2-butene ozonolysis and the 1-methyl VHP formed in 2,3-dimethyl-2-butene ozonolysis...
February 12, 2018: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29411814/theoretical-kinetic-study-of-the-formic-acid-catalyzed-criegee-intermediate-isomerization-multistructural-anharmonicity-and-atmospheric-implications
#2
M Monge-Palacios, Matti P Rissanen, Zhandong Wang, S Mani Sarathy
We performed a theoretical study on the double hydrogen shift isomerization reaction of a six carbon atom Criegee intermediate (C6-CI), catalyzed by formic acid (HCOOH), to produce vinylhydroperoxide (VHP), C6-CI + HCOOH → VHP + HCOOH. This Criegee intermediate can serve as a surrogate for larger CIs derived from important volatile organic compounds like monoterpenes, whose reactivity is not well understood and which are difficult to handle computationally. The reactant HCOOH exerts a pronounced catalytic effect on the studied reaction by lowering the barrier height, but the kinetic enhancement is hindered by the multistructural anharmonicity...
February 7, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29196269/diffusion-mri-and-mr-spectroscopy-reveal-microstructural-and-metabolic-brain-alterations-in-chronic-mild-stress-exposed-rats-a-cms-recovery-study
#3
Ahmad Raza Khan, Brian Hansen, Ove Wiborg, Christopher D Kroenke, Sune Nørhøj Jespersen
Chronic mild stress (CMS) induced depression elicits several debilitating symptoms and causes a significant economic burden on society. High variability in the symptomatology of depression poses substantial impediment to accurate diagnosis and therapy outcome. CMS exposure induces significant metabolic and microstructural alterations in the hippocampus (HP), prefrontal cortex (PFC), caudate-putamen (CP) and amygdala (AM), however, recovery from these maladaptive changes are limited and this may provide negative effects on the therapeutic treatment and management of depression...
November 28, 2017: NeuroImage
https://www.readbyqxmd.com/read/29191751/hippocampus-ghrelin-receptor-signaling-promotes-socially-mediated-learned-food-preference
#4
Ted M Hsu, Emily E Noble, David J Reiner, Clarissa M Liu, Andrea N Suarez, Vaibhav R Konanur, Matthew R Hayes, Scott E Kanoski
Social cues are potent regulators of feeding behavior, yet the neurobiological mechanisms through which social cues influence food intake are poorly understood. Here we investigate the hypothesis that the appetite-promoting gut-derived hormone, ghrelin, signals in the hippocampus to promote learned social aspects of feeding behavior. We utilized a procedure known as 'social transmission of food preference' (STFP) in which rats ('Observers') experience a social interaction with another rat ('Demonstrators') that recently consumed flavored/scented chow...
November 27, 2017: Neuropharmacology
https://www.readbyqxmd.com/read/29104582/vvvhp1-2-is-transcriptionally-activated-by-vvmyba1-and-promotes-anthocyanin-accumulation-of-grape-berry-skins-via-glucose-signal
#5
Tianyu Sun, Lili Xu, Hong Sun, Qianyu Yue, Heng Zhai, Yuxin Yao
In this work, four vacuolar H(+)-PPase (VHP) genes were identified in the grape genome. Among them, VvVHP1; 2 was strongly expressed in berry skin and its expression exhibited high correlations to anthocyanin content of berry skin during berry ripening and under ABA and UVB treatments. VvVHP1; 2 was transcriptionally activated directly by VvMYBA1, and VvVHP1; 2 overexpression promoted anthocyanin accumulation in berry skins and Arabidopsis leaves; therefore, VvVHP1; 2 mediated VvMYBA1-regulated berry pigmentation...
2017: Frontiers in Plant Science
https://www.readbyqxmd.com/read/29060830/the-visible-human-project-male-cad-based-computational-phantom-and-its-use-in-bioelectromagnetic-simulations
#6
G M Noetscher, A T Htet, N D Maino, P A Lacroix
Use of numerical simulation tools to provide qualitative estimates on electromagnetic safety, characterize antenna performance for WBAN applications and facilitate ground breaking research on diagnostic and therapeutic bioelectrical solutions has steadily grown over the past twenty years. However, the accuracy and applicability of such tools are directly proportional to the fidelity of the model used during the simulation. This paper describes the construction of a new CAD based male computational phantom, the Visible Human Project (VHP)-Male model, suitable for use in major commercial electromagnetics simulation packages...
July 2017: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/29060325/a-comparison-of-two-anatomical-body-models-derived-from-the-female-visible-human-project-data
#7
Jackson W Massey, Alexander Prokop, Ali E Yilmaz
Two electromagnetic human body models independently developed from the same image dataset-the voxel-based AustinWoman and surface-based VHP-Female models- are compared. In addition to contrasting volumes and crosssection images of their tissues, the power absorbed by the two models under plane-wave excitation is also compared. Five different numerical methods are used to compute the absorbed power and to evaluate modeling and computational errors.
July 2017: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/29060140/degree-of-rf-mri-coil-detuning-for-an-anatomically-realistic-respiratory-cycle-modeled-with-the-finite-element-method
#8
Anh L Tran, Sergey N Makarov
Respiratory motion is an important problem in Magnetic Resonance Imaging (MRI), contributing to image blurring during data acquisition and coil detuning. Using the concept of an ideal (perfectly matched and tuned at all available ports) RF transmit coil and the VHP-Female v4.0 dynamic CAD model, we numerically model and estimate the detuning of a full-body RF coil during the respiratory cycle.
July 2017: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28893449/successful-control-of-2-simultaneous-outbreaks-of-oxa-48-carbapenemase-producing-enterobacteriaceae-and-multidrug-resistant-acinetobacter-baumannii-in-an-intensive-care-unit
#9
A Robustillo-Rodela, V Pérez-Blanco, M A Espinel Ruiz, G Ruiz Carrascoso, J C Figueira Iglesias, D Abad Martín
BACKGROUND: This report describes a double outbreak of OXA-48-producing Enterobacteriaceae (OXA-48-PE) and multidrug-resistant Acinetobacter baumannii (MRAB) in an intensive care unit (ICU) and the effectiveness of measures implemented, including decontamination with vaporized hydrogen peroxide (VHP). METHODS: Affected patients were isolated in a confined area and cared for by dedicated personnel. Four percent chlorhexidine soap was used for patient daily hygiene...
September 8, 2017: American Journal of Infection Control
https://www.readbyqxmd.com/read/28699465/using-the-vessel-health-and-preservation-framework-to-enhance-vein-assessment-and-vascular-access-device-selection
#10
Sally Jane Shaw
There is a range of risk factors that can lead to peripheral intravenous (IV) cannula failure, and several failed cannulation attempts can result in the patient experiencing increased pain, discomfort and delays in receiving IV therapy. The Vessel Health and Preservation (VHP) framework is a tool that can be used to improve clinical decision-making and the patient experience in relation to vascular access and IV therapy. Use of the VHP framework can ensure the right vein and right vascular access device (VAD) is selected at the right time for each patient...
July 12, 2017: Nursing Standard
https://www.readbyqxmd.com/read/28675251/diet-effect-on-short-and-long-term-glycaemic-response-in-adult-healthy-cats
#11
REVIEW
Nadia Musco, Serena Calabro, Raffaella Tudisco, Ghulam Muhammad, Micaela Grossi, Laura Addi, Giuseppe Moniello, Pietro Lombardi, Monica Isabella Cutrignelli
In the paper the short- and long-term glycaemic response after 4 diet programmes was evaluated. Each diet programme was alternatively administered to 6 healthy cats for 30 days. At the end of each period cats were weighed and underwent blood sampling for glucose and fructosamine determination. Glycaemia was measured every 2 hours for 24 hours using an automated glucometer. Very high protein level and low starch (VHP÷LS) and high protein and moderate starch level (HP÷LS) diets showed glucose (Mean and Peak) and fructosamine values signi cantly lower compared to the moderate protein and high starch diets (MP/HS)...
June 30, 2017: Veterinaria Italiana
https://www.readbyqxmd.com/read/28476768/effects-of-high-pressure-on-bacillus-licheniformis-spore-germination-and-inactivation
#12
Kristina Borch-Pedersen, Hilde Mellegård, Kai Reineke, Preben Boysen, Robert Sevenich, Toril Lindbäck, Marina Aspholm
Bacillus and Clostridium species form spores, which pose a challenge to the food industry due to their ubiquitous nature and extreme resistance. Pressurization at <300 MPa triggers spore germination by activating germination receptors (GRs), while pressurization at >300 MPa likely triggers germination by opening dipicolinic acid (DPA) channels present in the inner membrane of the spores. In this work, we expose spores of Bacillus licheniformis, a species associated with food spoilage and occasionally with food poisoning, to high pressure (HP) for holding times of up to 2 h...
July 15, 2017: Applied and Environmental Microbiology
https://www.readbyqxmd.com/read/28453315/the-implementation-of-the-vessel-health-and-preservation-framework
#13
Valya Weston, Adele Nightingale, Chris O'Loughlin, Roy Ventura
Vascular access is an important component of health care but is not without associated risks, some of which can be life-threatening. The Vessel Health and Preservation (VHP) framework was developed with the intention of providing frontline staff with a resource to assist in assessing and selecting the best vascular access device to meet individual patient needs and to preserve veins for future use. This article examines the impact of the introduction of the framework into a haematology ward in an acute hospital in the North West of England during a 3-month pilot study...
April 27, 2017: British Journal of Nursing: BJN
https://www.readbyqxmd.com/read/28280451/effects-of-terminal-sterilization-on-peg-based-bioresorbable-polymers-used-in-biomedical-applications
#14
Divya Bhatnagar, Koustubh Dube, Vinod B Damodaran, Ganesan Subramanian, Kenneth Aston, Frederick Halperin, Meiyu Mao, Kurt Pricer, N Sanjeeva Murthy, Joachim Kohn
The effects of ethylene oxide (EO), vaporized hydrogen peroxide (VHP), gamma (γ) radiation, and electron-beam (E-beam) on the physiochemical and morphological properties of medical device polymers are investigated. Polymers with ether, carbonate, carboxylic acid, amide and ester functionalities are selected from a family of poly(ethylene glycol) (PEG) containing tyrosine-derived polycarbonates (TyrPCs) to include slow, medium, fast, and ultrafast degrading polymers. Poly(lactic acid) (PLA) is used for comparison...
October 2016: Macromolecular Materials and Engineering
https://www.readbyqxmd.com/read/28269021/computational-human-model-vhp-female-derived-from-datasets-of-the-national-library-of-medicine
#15
Gregory M Noetscher, Janakinadh Yanamadala, Harshal Tankaria, Sara Louie, Alexander Prokop, Ara Nazarian, Sergey N Makarov
Simulation of the electromagnetic response of the human body relies upon efficient computational models. The objective of this paper is to describe a new platform-independent and computationally-efficient full-body electromagnetic model, the Visible Human Project® (VHP)-Female v.3.0 and to outline its distinct features. We also report model performance results using two leading commercial electromagnetic antenna simulation packages: ANSYS HFSS and CST MICROWAVE STUDIO®.
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28269020/austinman-and-austinwoman-high-fidelity-anatomical-voxel-models-developed-from-the-vhp-color-images
#16
Jackson W Massey, Ali E Yilmaz
The current versions (v2.3) of AustinMan and AustinWoman anatomical voxel models are presented with the methodology used to generate them from the Visible Human Project's color cross-sectional anatomical images. Both models are freely available online and documented in detail to increase their reproducibility. Visualizations of the models are shown to highlight their complexity.
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28268773/vhp-female-full-body-human-cad-model-for-cross-platform-fem-simulations-recent-development-and-validations
#17
Harshal Tankaria, Xavier J Jackson, Raunak Borwankar, Goutham N K Srichandhru, Anh Le Tran, Janakinadh Yanamadala, Gregory M Noetscher, Ara Nazarian, Sara Louie, Sergey N Makarov
Simulation of the electromagnetic response of the human body relies heavily upon efficient computational models or phantoms. The first objective of this paper is to present an improved platform-independent full-body electromagnetic computational model (computational phantom), the Visible Human Project® (VHP)-Female v. 3.1 and to describe its distinct features and enhancements compared to VHP-Female v. 2.0. The second objective is to report phantom simulation for electric stimulation studies using the commercial FEM electromagnetic solver ANSYS MAXWELL...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28239495/a-pulmonary-rehabilitation-decisional-score-to-define-priority-access-for-copd-patients
#18
Michele Vitacca, Laura Comini, Marilena Barbisoni, Gloria Francolini, Mara Paneroni, Jean Pierre Ramponi
This retrospective study aimed to evaluate, through an ad hoc 17-item tool, the Pulmonary Rehabilitation Decisional Score (PRDS), the priority access to PR prescription by respiratory specialists. The PRDS, scoring functional, clinical, disability, frailty, and participation parameters from 0 = low priority to 34 = very high priority for PR access, was retrospectively calculated on 124 specialist reports sent to the GP of subjects (aged 71 ± 11 years, FEV1%  51 ± 17) consecutively admitted to our respiratory outpatient clinic...
2017: Rehabilitation Research and Practice
https://www.readbyqxmd.com/read/28227234/computational-human-model-vhp-female-derived-from-datasets-of-the-national-library-of-medicine
#19
Gregory M Noetscher, Janakinadh Yanamadala, Harshal Tankaria, Sara Louie, Alexander Prokop, Ara Nazarian, Sergey N Makarov, Gregory M Noetscher, Janakinadh Yanamadala, Harshal Tankaria, Sara Louie, Alexander Prokop, Ara Nazarian, Sergey N Makarov, Ara Nazarian, Janakinadh Yanamadala, Gregory M Noetscher, Sergey N Makarov, Alexander Prokop, Harshal Tankaria, Sara Louie
Simulation of the electromagnetic response of the human body relies upon efficient computational models. The objective of this paper is to describe a new platform-independent and computationally-efficient full-body electromagnetic model, the Visible Human Project® (VHP)-Female v.3.0 and to outline its distinct features. We also report model performance results using two leading commercial electromagnetic antenna simulation packages: ANSYS HFSS and CST MICROWAVE STUDIO®.
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28227233/austinman-and-austinwoman-high-fidelity-anatomical-voxel-models-developed-from-the-vhp-color-images
#20
Jackson W Massey, Ali E Yilmaz, Jackson W Massey, Ali E Yilmaz, Jackson W Massey
The current versions (v2.3) of AustinMan and AustinWoman anatomical voxel models are presented with the methodology used to generate them from the Visible Human Project's color cross-sectional anatomical images. Both models are freely available online and documented in detail to increase their reproducibility. Visualizations of the models are shown to highlight their complexity.
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
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