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https://www.readbyqxmd.com/read/29341297/ligand-and-metal-based-reactivity-of-a-neutral-ruthenium-diolefin-diazadiene-complex-the-innocent-the-guilty-and-the-suspicious
#1
Vivek Sinha, Bruno Pribanic, Bas de Bruin, Monica Trincado, Hansjörg Grützmacher
Coordination of the diazadiene diolefin ligand trop2dad to ruthenium leads to various complexes of composition [Ru(trop2dad)(L)]. DFT studies indicate that the closed-shell singlet (CSS), open-shell singlet (OSS) and triplet electronic structures of this species are close in energy, with the OSS state being the lowest in energy for all tested functionals. Singlet state CASSCF calculations reveal a significant multireference character for these complexes. The closed-shell singlet wavefunction dominates, but these complexes have a significant (~8-16%) open-shell singlet [d7 Ru(I)(L)(trop2dad●-] contribution mixed into the ground state...
January 17, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29340733/population-pharmacokinetics-of-lamotrigine-co-administered-with-valproic-acid-in-chinese-epileptic-children-using-nonlinear-mixed-effects-modeling
#2
Shansen Xu, Limin Liu, Yanan Chen, Mei Liu, Tong Lu, Huanxin Wang, Shihao Liu, Mingming Zhao, Limei Zhao
PURPOSE: The aims of this study were to develop a population pharmacokinetic (PPK) model of lamotrigine (LTG) in Chinese epileptic children by using nonlinear mixed effects modeling (NONMEM) and to investigate the effects of valproic acid (VPA) and genetic polymorphisms of the major metabolizing enzymes (UGT1A4, UGT2B7) on the pharmacokinetics of LTG. METHODS: A total of 182 epileptic children who were treated with LTG as monotherapy or as part of combination therapy were included in this study as the model group, and 61 patients were included as the validation group...
January 16, 2018: European Journal of Clinical Pharmacology
https://www.readbyqxmd.com/read/29339315/insulin-sensitivity-predicts-brain-network-connectivity-following-a-meal
#3
John P Ryan, Helmet T Karim, Howard J Aizenstein, Nicole L Helbling, Frederico G S Toledo
There is converging evidence that insulin plays a role in food-reward signaling in the brain and has effects on enhancing cognition. Little is known about how these effects are altered in individuals with insulin resistance. The present study was designed to identify the relationships between insulin resistance and functional brain connectivity following a meal. Eighteen healthy adults (7 male, 11 female, age: 41-57 years-old) completed a frequently-sampled intravenous glucose tolerance test to quantify insulin resistance...
January 12, 2018: NeuroImage
https://www.readbyqxmd.com/read/29338796/cortical-morphology-development-in-patients-with-22q11-2-deletion-syndrome-at-ultra-high-risk-of-psychosis
#4
Maria Carmela Padula, Marie Schaer, Marco Armando, Corrado Sandini, Daniela Zöller, Elisa Scariati, Maude Schneider, Stephan Eliez
BACKGROUND: Patients with 22q11.2 deletion syndrome (22q11DS) present a high risk of developing psychosis. While clinical and cognitive predictors for the conversion towards a full-blown psychotic disorder are well defined and largely used in practice, neural biomarkers do not yet exist. However, a number of investigations indicated an association between abnormalities in cortical morphology and higher symptoms severities in patients with 22q11DS. Nevertheless, few studies included homogeneous groups of patients differing in their psychotic symptoms profile...
January 17, 2018: Psychological Medicine
https://www.readbyqxmd.com/read/29338224/deviation-from-the-trans-effect-in-ligand-exchange-reactions-of-zeise-s-ions-ptcl3-c2h4-%C3%A2-with-heavier-halides-br-i
#5
Gao-Lei Hou, Niranjan Govind, Sotiris S Xantheas, Xue-Bin Wang
Four new Zeise's family ions with mixed halide ligands, i.e., PtClnX3-n(C2H4)‒ (X = Br, I; n = 1, 2), were synthesized via ligand-exchange reactions of KX salts with KPtCl3(C2H4) in aqueous solutions, and were detected in vacuum via electrospray ionization mass spectrometry. Their photoelectron spectra reveal a series of well-resolved spectral peaks with their electron binding energies (EBEs) decreasing with increasing halide size, with I having a much stronger effect than Br, i.e., 4.57 (-Cl3) > 4.56 (-Cl2Br) > 4...
January 16, 2018: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29338198/atomic-resolution-imaging-of-nanoscale-chemical-expansion-in-prxce1-xo2-%C3%AE-during-in-situ-heating
#6
Jessica G Swallow, Ja Kyung Lee, Thomas Defferriere, Gareth Martin Hughes, Shilpa N Raja, Harry L Tuller, Jamie H Warner, Krystyn J Van Vliet
Thin film non-stoichiometric oxides enable many high temperature applications including solid oxide fuel cells, actuators, and catalysis. Large concentrations of point defects (particularly, oxygen vacancies) enable fast ionic conductivity or gas exchange kinetics in these materials, but also manifest as coupling between lattice volume and chemical composition. This chemical expansion may be either detrimental or useful, especially in thin film devices that may exhibit enhanced performance through strain engineering or decreased operating temperatures...
January 16, 2018: ACS Nano
https://www.readbyqxmd.com/read/29334972/community-readiness-assessment-for-obesity-research-pilot-implementation-of-the-healthier-families-programme
#7
Leah A Teeters, William J Heerman, David Schlundt, Dawn Harris, Shari L Barkin
BACKGROUND: This article reports on the development of a systematic approach to assess for community readiness prior to implementation of a behavioural intervention for childhood obesity. Using the Consolidated Framework for Implementation Research (CFIR), we developed research tools to evaluate local community centres' organisational readiness and their capacity to implement the intervention. METHODS: Four community Parks and Recreation centres from different states expressed interest in piloting an approach for dissemination and implementation of an evidence-based obesity prevention program for families with young children (Healthier Families)...
January 15, 2018: Health Research Policy and Systems
https://www.readbyqxmd.com/read/29334481/flexible-and-freestanding-supercapacitor-based-on-nanostructured-poly-m-aminophenol-carbon-nanofiber-hybrid-mats-with-high-energy-and-power-densities
#8
Arup Choudhury, Baban Dey, Susanta Sinha Mahapatra, Doo-Won Kim, Kap-Seung Yang, Duck J Yang
Nanostructured poly(m-aminophenol) (PmAP) coated freestanding carbon nanofiber (CNF) mats were fabricated through simple in-situ rapid-mixing polymerization of m-aminophenol in presence of CNF mat for flexible solid-state supercapacitors. The surface compositions, morphology and pore structure of the hybrid mats were characterized by using different techniques, e.g., FTIR, Raman, XRD, FE-SEM, TEM and N2 absorption. The results show that the PmAP nanoparticles homogeneously deposited on CNF surfaces and formed a thin flexible hybrid mat, which were directly used to made electrodes for electrochemical analysis without using any binders and conductive additives...
January 15, 2018: Nanotechnology
https://www.readbyqxmd.com/read/29334251/discussing-edaravone-with-the-als-patient-an-ethical-framework-from-a-u-s-perspective
#9
Crystal Jing Jing Yeo, Zachary Simmons
The recent approval of edaravone by the United States Food and Drug Administration has generated a mix of hope tempered by reality. The costs of the drug, both monetarily and with regard to intensity of treatment, are high. The benefits, while modest, will be viewed through a very different lens by individuals depending on their goals of care. By virtue of our training and experience, physicians are ideally suited to understand and explain new treatments to our patients. As healthcare providers with a fiduciary responsibility to our patients, we must make sure they are fully informed about both the costs and benefits of non-curative therapies such as edaravone, and be prepared to discuss these in the context of their goals of care and potential impact on quality of life...
January 15, 2018: Amyotrophic Lateral Sclerosis and Frontotemporal Degeneration
https://www.readbyqxmd.com/read/29333956/high-efficiency-treatment-of-pta-wastewater-using-a-biogas-jet-assisted-anaerobic-fluidized-bed-reactor
#10
Wei Zhang, Yangyang Feng, Yingwen Chen, Peiwen Li, Shemin Zhu, Shubao Shen
In this paper, a new type of biogas jet assisted anaerobic fluidized bed reactor loaded with a polypropylene (PP) carrier, has been proposed. There was a clear improvement in the fluidized state due to the biogas assisted input when the gas/water ratio was set at 1:3 with a suitable carrier loading of 60%. When the circulating water flow is 30 L/min assisted with biogas 10 L/min, the mixing time shortens from 26 s to 18 s. The performance of anaerobic biodegradation on wastewater treatment was improved largely...
January 15, 2018: Environmental Technology
https://www.readbyqxmd.com/read/29333763/polymer-passivated-inorganic-cesium-lead-mixed-halide-perovskites-for-stable-and-efficient-solar-cells-with-high-open-circuit-voltage-over-1-3-v
#11
Qingsen Zeng, Xiaoyu Zhang, Xiaolei Feng, Siyu Lu, Zhaolai Chen, Xue Yong, Simon A T Redfern, Haotong Wei, Haiyu Wang, Huaizhong Shen, Wei Zhang, Weitao Zheng, Hao Zhang, John S Tse, Bai Yang
Cesium-based trihalide perovskites have been demonstrated as promising light absorbers for photovoltaic applications due to their superb composition stability. However, the large energy losses (Eloss ) observed in inorganic perovskite solar cells has become a major hindrance impairing the ultimate efficiency. Here, an effective and reproducible method of modifying the interface between a CsPbI2 Br absorber and polythiophene hole-acceptor to minimize the Eloss is reported. It is demonstrated that polythiophene, deposited on the top of CsPbI2 Br, can significantly reduce electron-hole recombination within the perovskite, which is due to the electronic passivation of surface defect states...
January 15, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29333644/school-lunch-consumption-among-3-food-service-providers-in-new-orleans
#12
Melanie Canterberry, Samantha Francois, Taslim van Hattum, Lindsey Rudov, Thomas W Carton
BACKGROUND: Louisiana has one of the highest rates of overweight and obese children in the United States. The Healthy School Food Collaborative (HSFC) was created to allow New Orleans's schools to select their own healthy school Food Service Provider (FSP) with requirements for higher nutritional standards than traditional options. The goal of this cross-sectional study was to examine whether HSFC membership was associated with lunch consumption rates in elementary school children. METHODS: An 8-week plate waste study examining 18,070 trays of food among fourth and fifth graders was conducted...
February 2018: Journal of School Health
https://www.readbyqxmd.com/read/29332655/research-on-tuberculosis-in-tribal-areas-in-india-a-systematic-review
#13
REVIEW
V G Rao, M Muniyandi, J Bhat, R Yadav, R Sharma
BACKGROUND: Tuberculosis (TB) remains a major public health problem in resource-poor countries including India. Scientific knowledge is used to guide policy and practice. There is however, a limited, systematically collected data required for guiding the scale-up of interventions particularly amongst vulnerable populations including tribal groups in the country. In view of this, a systematic review of the TB research studies carried out in tribal areas of different parts of the country was undertaken...
January 2018: Indian Journal of Tuberculosis
https://www.readbyqxmd.com/read/29332509/sexual-scripts-and-criminal-statutes-gender-restrictions-spousal-allowances-and-victim-accountability-after-rape-law-reform
#14
Ethan Czuy Levine
The author provides a mixed-methods assessment of U.S. rape statutes to assess progress in reform. Contemporary statutes offer restrictive frameworks for distinguishing criminal from noncriminal sexual violence, many of which are grounded in gendered and heterosexist assumptions. Fourteen states retain gender restrictions in rape statutes. Twenty maintain marital distinctions that limit accountability for spousal rape. Furthermore, whereas explicit resistance requirements have been eliminated nationwide, implicit resistance expectations manifest through emphasis on physical force and involuntary intoxication...
February 1, 2017: Violence Against Women
https://www.readbyqxmd.com/read/29332493/college-campus-sexual-assault-the-contribution-of-peers-proabuse-informational-support-and-attachments-to-abusive-peers
#15
Walter S DeKeseredy, Amanda Hall-Sanchez, James Nolan
Since the mid-1980s, researchers across the United States have uncovered high rates of sexual assault among female college students. However, to advance a better understanding of this gendered type of victimization, and to both prevent and control this problem, the research community needs to identify its major correlates. One that is consistently uncovered in North American campus survey work is negative peer support, especially that provided by male peers. Yet, some earlier studies have found that mixed-sex negative peer support, too, contributes to campus sexual assault...
September 1, 2017: Violence Against Women
https://www.readbyqxmd.com/read/29332470/a-school-based-neuromuscular-training-program-and-sport-related-injury-incidence-a-prospective-randomized-controlled-clinical-trial
#16
Kim D Barber Foss, Staci Thomas, Jane C Khoury, Gregory D Myer, Timothy E Hewett
CONTEXT:   An estimated 40 million school-aged children (age range = 5-18 years) participate annually in sports in the United States, generating approximately 4 million sport-related injuries and requiring 2.6 million emergency department visits at a cost of nearly $2 billion. OBJECTIVE:   To determine the effects of a school-based neuromuscular training (NMT) program on sport-related injury incidence across 3 sports at the high school and middle school levels, focusing particularly on knee and ankle injuries...
January 13, 2018: Journal of Athletic Training
https://www.readbyqxmd.com/read/29332384/structure-of-lipid-nanoparticles-containing-sirna-or-mrna-by-dynamic-nuclear-polarization-enhanced-nmr-spectroscopy
#17
Jasmine Viger-Gravel, Anna Schantz, Arthur C Pinon, Aaron J Rossini, Staffan Schantz, Lyndon Emsley
Here we show how dynamic nuclear polarization (DNP) nuclear magnetic resonance (NMR) spectroscopy experiments permit the atomic level structural characterization of loaded and empty lipid nanoparticles (LNPs). The LNPs used here were synthesized by microfluidic mixing technique and are composed of ionizable cationic lipid (DLin-MC3-DMA), a phospholipid (DSPC), cholesterol and PEG (DMPE-PEG 2000), as well as encapsulated cargoes which are either phosphorothioated-siRNA (50 or 100%) or mRNA. We show that LNPs form physically stable complexes with bioactive drug siRNA for a period of 94 days...
January 14, 2018: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29331786/the-meaning-of-community-in-diverse-neighborhoods-stratification-of-influence-and-mental-health
#18
Emily Walton
As the United States diversifies, individuals are increasingly encountering and managing racial and ethnic difference in their neighboring relationships, thus challenging the "cultural" basis for consensus on the local meaning of community. This mixed-methods study considers the ways in which sense of community relates to mental health in two longstanding racially- and socioeconomically-diverse neighborhoods. I ask how social resources are distributed within diverse neighborhoods, integrating survey (N = 243) and interview (N = 60) data to make observations about both the existence and nature of relationships among the unique dimensions of sense of community and mental health...
January 10, 2018: Health & Place
https://www.readbyqxmd.com/read/29331155/performance-of-a-novel-antipseudomonal-antibiotic-consumption-metric-among-academic-medical-centers-in-the-united-states
#19
John Daniel Markley, Amy L Pakyz, Roy T Sabo, Gonzalo Bearman, Samuel F Hohmann, Michael P Stevens
A metric was developed to identify hospital proportion of carbapenem consumption (PoCC) among antipseudomonal antibiotics. The PoCC varied significantly among academic medical centers by Census Bureau geographic division after adjusting for patient mix. This metric may be useful in identifying disproportionate carbapenem use and potential carbapenem overuse. Infect Control Hosp Epidemiol 2018;1-4.
January 14, 2018: Infection Control and Hospital Epidemiology
https://www.readbyqxmd.com/read/29331114/hartree-fock-symmetry-breaking-around-conical-intersections
#20
Lena C Jake, Thomas M Henderson, Gustavo E Scuseria
We study the behavior of Hartree-Fock (HF) solutions in the vicinity of conical intersections. These are here understood as regions of a molecular potential energy surface characterized by degenerate or nearly degenerate eigenfunctions with identical quantum numbers (point group, spin, and electron numbers). Accidental degeneracies between states with different quantum numbers are known to induce symmetry breaking in HF. The most common closed-shell restricted HF instability is related to singlet-triplet spin degeneracies that lead to collinear unrestricted HF solutions...
January 14, 2018: Journal of Chemical Physics
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