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Directional preference

Renato P Orenha, Letícia R San Gregorio, Sérgio E Galembeck
In this computational study the interaction of NO(.), NO(+), and NO(-) with H2O: [NO--H2O](.), 1 (.), [NO--H2O](+), 1 (+) , and [NO--H2O](-), 1 (-) was analysed. The optimized geometries indicate that the relative position of NO and H2O depends on the total charge: (ON(.)--H-OH), (NO(-)--H-OH), and (ON(+)--OH2). Moreover, atomic spin density along with frontier molecular orbitals help to identify the preferred reduction or oxidation sites on the nitric oxide. Thus, quantum theory of atoms in molecules (QTAIM), electron localization function (ELF), and natural bond-bond polarizability (NBBP) methods aid to quantify the electron delocalization level between NO and H2O, 1 (+) > 1 (...
November 2016: Journal of Molecular Modeling
Jeffrey E Janis, Jenny C Barker
BACKGROUND: The reproducible benefits of mentoring to mentees have been studied extensively. However, insights from the mentor perspective are less well described. This study evaluates mentorship of plastic surgery medical students from the attending surgeon's perspective. A comparison is made with a previous publication evaluating mentorship from the medical student's perspective. METHODS: An electronic survey was sent to 1025 active members of the American Council of Academic Plastic Surgeons (ACAPS) and the American Association of Plastic Surgeons (AAPS), with a combined response rate of 23 percent...
November 2016: Plastic and Reconstructive Surgery
Daniel T Allen, Yussif Saaka, Luis Carlos Pardo, M Jayne Lawrence, Christian D Lorenz
A series of molecular dynamics simulations have been conducted in order to study the specific ion effects of Li(+), Na(+), Cs(+) and NH4(+) cations on dodecyl sulfate (DS(-)) monolayers. Varying the counterion had no appreciable effect on the structure of the surfactant molecules within the different monolayers. However, the different counterions have a significant effect on the interfacial properties of the monolayer. In particular, we have investigated to what extent each of the counterions is dehydrated when interacting with the DS(-) headgroup, the specific interactions between the counterions and the headgroup and the salt bridging of the headgroups caused by each counterion...
October 26, 2016: Physical Chemistry Chemical Physics: PCCP
Lydia E Belton, Elissa Z Cameron, Fredrik Dalerum
Increasing human population growth has led to elevated levels of human-carnivore conflict. However, some carnivore populations have adapted to urban environments and the resources they supply. Such associations may influence carnivore ecology, behaviour and life-history. Pockets of urbanisation sometimes occur within protected areas, so that anthropogenic influences on carnivore biology are not necessarily confined to unprotected areas. In this study we evaluated associations between human infrastructure and related activity and space use of spotted hyaenas within one of the largest protected areas in South Africa, the Kruger National Park...
2016: PeerJ
Benjamin A Steinberg
Atrial fibrillation (AF) is the most common cardiac arrhythmia, and conveys a significant risk of morbidity and mortality due to related stroke and systemic embolism. Oral anticoagulation (OAC) is the mainstay of thromboembolism prevention and management of anticoagulation can be challenging. For patients without significant valvular disease, decisions around anticoagulation therapy are first based on the presence of additional stroke risk factors, as measured by the CHA2DS2-VASc score. Patients with increased CHA2DS2-VASc scores (by regional guidelines) should next be evaluated to determine if they are candidates for non-vitamin K antagonist oral anticoagulant (NOAC) therapy...
October 25, 2016: Blood
Laura E Gleeson, Frederick J Sheedy
Successful immune responses to pathogens rely on efficient host innate processes to contain and limit bacterial growth, induce inflammatory response and promote antigen presentation for the development of adaptive immunity. This energy intensive process is regulated through multiple mechanisms including receptor-mediated signaling, control of phago-lysomal fusion events and promotion of bactericidal activities. Inherent macrophage activities therefore are dynamic and are modulated by signals and changes in the environment during infection...
October 22, 2016: Seminars in Immunology
Emuella M Flood, Kelly F Bell, Marie C de la Cruz, France M Ginchereau-Sowell
OBJECTIVE: To identify which treatment attributes are most influential in determining patient preferences for diabetes treatments and explore patient preferences for diabetes drug classes. RESEARCH DESIGN AND METHODS: U.S. adults with type 1 or type 2 diabetes completed an online adaptive conjoint analysis survey. The survey examined 14 attributes, including efficacy, regimen, and risk of common side effects and rare, but serious adverse events. Respondents selected between hypothetical treatments with different attributes...
October 25, 2016: Current Medical Research and Opinion
Jaroslav Meluzin, Zdenek Starek, Tomas Kulik, Jiri Jez, Frantisek Lehar, Josef Tomandl, Ladislav Dusek, Jiri Wolf, Pavel Leinveber, Miroslav Novak
BACKGROUND: Noninvasive diagnosis of exercise-induced elevation of left ventricular filling pressure is difficult and remains unsatisfactory. The aim of this study was to assess the accuracy of the ratio of early diastolic transmitral (E) to mitral annular (e') velocity and to determine new parameters or parameter combinations with the ability to predict exercise-induced left atrial pressure (LAP) elevation. METHODS AND RESULTS: Eighty patients with paroxysmal atrial fibrillation (AF) referred for catheter AF ablation underwent simultaneous exercise echocardiography and direct invasive LAP measurements, as well as a resting and postexercise biomarker analysis...
October 25, 2016: Echocardiography
Jia Loon Chong
Kidney transplantation is the preferred treatment for eligible end-stage renal disease patients. However, the supply of donated kidneys has been consistently insufficient to meet the transplantation requirements of the population. In this paper, I discuss the feasibility of several policy options that engage potential donors or key individuals in a Singapore context, including financial and non-financial incentives for deceased/living organ donors and their families, improving actualisation rates of both donation after brain death, donation after cardiac death through quality improvement programmes and remuneration schemes, and a media platform for directed organ donation...
October 2016: Singapore Medical Journal
Saturnin Bertrand Nguenda Anya, Atanase Yene
This paper seeks to identify the determinants of the choice of treatment of pregnant women in Cameroon. Theoretically, the methodology is based on a discrete choice model with random utility. Empirically, the econometric specification is a Nested Multinomial Logit Model. The data used comes from the Demographic Health Survey (DHS) organized in 2011 by the National Institute of Statistics. The results reveal that uneducated women or those having only a primary education prefer to meet the traditional midwives than seek modern maternal health services...
December 2016: Health Economics Review
Manyu Lan, Yaoqiu Kuang
The impact of women's education on fertility is of interest to researchers, particularly in China. However, few studies have provided well-founded assessments of how women's education, workforce experience, and birth control policy jointly affect fertility in China. This study, conducted in Guangdong Province, aimed to analyze how these three factors influenced the timing of births and affected women at different stages of their reproductive lives. We used census data for Guangdong Province (1990, 2000, and 2010) to make cross-sectional age-specific comparisons to examine the effects of women's education and workforce participation on fertility outcomes under China's One Child Policy...
2016: SpringerPlus
Emily Morgan, Roger Levy
We ask whether word order preferences for binomial expressions of the form A and B (e.g. bread and butter) are driven by abstract linguistic knowledge of ordering constraints referencing the semantic, phonological, and lexical properties of the constituent words, or by prior direct experience with the specific items in questions. Using forced-choice and self-paced reading tasks, we demonstrate that online processing of never-before-seen binomials is influenced by abstract knowledge of ordering constraints, which we estimate with a probabilistic model...
October 21, 2016: Cognition
Heather J Ruskin
High-throughput microarray technologies have long been a source of data for a wide range of biomedical investigations. Over the decades, variants have been developed and sophistication of measurements has improved, with generated data providing both valuable insight and considerable analytical challenge. The cost-effectiveness of microarrays, as well as their fundamental applicability, made them a first choice for much early genomic research and efforts to improve accessibility, quality and interpretation have continued unabated...
October 21, 2016: Microarrays
Bo-Yu Zhang, Song-Jia Fan, Cong Li, Xiu-Deng Zheng, Jian-Zhang Bao, Ross Cressman, Yi Tao
Cooperation coexisting with defection is a common phenomenon in nature and human society. Previous studies for promoting cooperation based on kin selection, direct and indirect reciprocity, graph selection and group selection have provided conditions that cooperators outcompete defectors. However, a simple mechanism of the long-term stable coexistence of cooperation and defection is still lacking. To reveal the effect of direct reciprocity on the coexistence of cooperation and defection, we conducted a simple experiment based on the Prisoner's Dilemma (PD) game, where the basic idea behind our experiment is that all players in a PD game should prefer a cooperator as an opponent...
October 24, 2016: Scientific Reports
Aymard Didier Tamafo Fouegue, Julius Numbonui Ghogomu, Désiré Bikélé Mama, Nyiang Kennet Nkungli, Elie Younang
The chelating ability of juglone and two of its derivatives towards Fe(2+)ion and the antioxidant activity (AOA) of the resulting chelates and complexes (in the presence of H2O and CH3OH as ligands) in gas phase is reported via bond dissociation enthalpy, ionization potential, proton dissociation enthalpy, proton affinity, and electron transfer enthalpy. The DFT/B3LYP level of theory associated with the 6-31+G(d,p) and 6-31G(d) Pople-style basis sets on the atoms of the ligands and the central Fe(II), respectively, was used...
2016: Bioinorganic Chemistry and Applications
Huirong Zhao, Jiong Shen, Yiguo Li, Joseph Bentsman
This paper proposes a new preference adjustable multi-objective model predictive control (PA-MOMPC) law for constrained nonlinear systems. With this control law, a reasonable prioritized optimal solution can be directly derived without constructing the Pareto front by solving a minimal optimization problem, which is a novel development of recently proposed utopia tracking approaches by additionally considering objective preferences with more flexible terminal and stability constraints. The tracking point of the proposed PA-MOMPC law is represented by a parametric vector with the parameters adjustable on the basis of objective preferences...
October 21, 2016: ISA Transactions
Qing Wang, Donglan Zhang, Zhiyuan Hou
The private health care sector has become an increasingly important complement to China's health care system. During the health care reform in 2009, China's central government established multiple initiatives to relax constraints on the growth of the private health care sector. However, private health services have not been growing as rapidly as private health care facilities. Using data from the China Health and Retirement Longitudinal Study collected between 2011 and 2013, this study investigated patient choice between private and public providers for outpatient care and estimated its relationship with health insurance and socioeconomic status (SES)...
October 18, 2016: Social Science & Medicine
David E Moorman, Morgan H James, Elisabeth A Kilroy, Gary Aston-Jones
The orexin/hypocretin (ORX) system regulates motivation for natural rewards and drugs of abuse such as alcohol. ORX receptor antagonists, most commonly OX1R antagonists including SB-334867 (SB), decrease alcohol drinking, self-administration and reinstatement in both genetically-bred alcohol-preferring and outbred strains of rats. Importantly, levels of alcohol seeking and drinking in outbred rats are variable, as they are in humans. We have shown that OX1R antagonism selectively decreases homecage alcohol drinking in high-, but not low-alcohol-preferring rats...
October 19, 2016: Brain Research
G Bearzi, S Bonizzoni, N L Santostasi, N B Furey, L Eddy, V D Valavanis, O Gimenez
The Gulf of Corinth is a 2400-km(2) semi-enclosed inland system (a mediterraneus) in central Greece. Its continental shelf areas, steep bottom relief, and waters up to 500-900m deep offer suitable habitat to neritic and pelagic species. We used photographic capture-recapture, distribution modelling, and direct observations to investigate the abundance, status, habitat preferences, movements, and group size of four odontocete species regularly observed in the Gulf, based on five years (2011-2015) of survey effort from small boats...
2016: Advances in Marine Biology
Pei-Jung Lin, Wei-Shi Yeh, Peter J Neumann
OBJECTIVES: The current US mandatory newborn screening panel does not include spinal muscular atrophy, the most common fatal genetic disease among children. We assessed population preferences for newborn screening for spinal muscular atrophy, and how test preferences varied depending on immediate treatment implications. METHODS: We conducted an online willingness-to-pay survey of US adults (n = 982). Respondents were asked to imagine being parents of a newborn...
September 15, 2016: Pediatric Neurology
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