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https://www.readbyqxmd.com/read/28651242/chalcogen-substitution-effect-of-oxygen-by-sulfur-exchange-on-structural-and-spectroscopic-properties-of-flavonols
#1
Cécilia Falantin, Aurélien Moncomble, Annaïg Le Person, Jean-Paul Cornard
Quantum chemical calculations using density functional theory have revealed that the substitution of the ketone group by a thioketone one doesn't significantly change the structure of 3-hydroxyflavone. Notably, the strong intramolecular hydrogen bond involving the hydroxyl function is preserved if the O atom is substituted by an S atom, but also by Se or Te atoms. However, fundamental modifications are observed in both absorption and emission electronic spectra upon substitution, particularly the non-fluorescent behavior of the flavothione...
June 17, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28651183/investigating-the-effect-of-different-transducer-stiffness-values-on-the-contactin-complex-detachment-by-steered-molecular-dynamics
#2
Parnian Kianfar, Nabiollah Abolfathi, Navid Zarif Karimi
This study investigated the adhesion behavior of Contactin4 (CNTN4), a member of Immunoglobulin Super Family (Ig-SF) of cell adhesion molecules. Contactin4 plays a crucial role in the formation, maintenance, and plasticity of neuronal networks. Contactin in its complex configuration with protein tyrosine phosphatase gamma (PTPRG) was selected for simulation. By utilizing Steered Molecular Dynamics (SMD), the uniaxial force was applied to induce unbinding of the complex, and the force-induced detachment of complex components was probed...
June 2, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28650191/perceived-problem-solving-deficits-and-suicidal-ideation-evidence-for-the-explanatory-roles-of-thwarted-belongingness-and-perceived-burdensomeness-in-five-samples
#3
Carol Chu, Kristin L Walker, Ian H Stanley, Jameson K Hirsch, Jeffrey H Greenberg, M David Rudd, Thomas E Joiner
Perceived social problem-solving deficits are associated with suicide risk; however, little research has examined the mechanisms underlying this relationship. The interpersonal theory of suicide proposes 2 mechanisms in the pathogenesis of suicidal desire: intractable feelings of thwarted belongingness (TB) and perceived burdensomeness (PB). This study tested whether TB and PB serve as explanatory links in the relationship between perceived social problem-solving (SPS) deficits and suicidal thoughts and behaviors cross-sectionally and longitudinally...
June 26, 2017: Journal of Personality and Social Psychology
https://www.readbyqxmd.com/read/28650181/racial-identity-invalidation-with-multiracial-individuals-an-instrument-development-study
#4
Marisa G Franco, Karen M O'Brien
OBJECTIVES: Racial identity invalidation, others' denial of an individual's racial identity, is a salient racial stressor with harmful effects on the mental health and well-being of Multiracial individuals. The purpose of this study was to create a psychometrically sound measure to assess racial identity invalidation for use with Multiracial individuals (N = 497). METHOD: The present sample was mostly female (75%) with a mean age of 26.52 years (SD = 9.60). The most common racial backgrounds represented were Asian/White (33...
June 26, 2017: Cultural Diversity & Ethnic Minority Psychology
https://www.readbyqxmd.com/read/28649921/leader-trust-competence-lmx-and-member-performance
#5
Gukdo Byun, Ye Dai, Soojin Lee, Seungwan Kang
Based on social exchange theory, this study examines the influence of leaders' trusting behavior and competence in in-role activities on members' perceived leader-member exchange (LMX) relationships. Our study proposes that a leader's trust in a member contributes to the member's perceived LMX, and that the leader's competence in in-role activities moderates this relationship. Furthermore, our study suggests that perceived LMX mediates the relationship between the leader's trust and members' task performance...
January 1, 2017: Psychological Reports
https://www.readbyqxmd.com/read/28649727/grammatical-constructions-as-relational-categories
#6
Micah B Goldwater
This paper argues that grammatical constructions, specifically argument structure constructions that determine the "who did what to whom" part of sentence meaning and how this meaning is expressed syntactically, can be considered a kind of relational category. That is, grammatical constructions are represented as the abstraction of the syntactic and semantic relations of the exemplar utterances that are expressed in that construction, and it enables the generation of novel exemplars. To support this argument, I review evidence that there are parallel behavioral patterns between how children learn relational categories generally and how they learn grammatical constructions specifically...
June 26, 2017: Topics in Cognitive Science
https://www.readbyqxmd.com/read/28649583/effects-of-alcohol-on-human-aggression
#7
Dominic J Parrott, Christopher I Eckhardt
There is little debate that alcohol is a contributing cause of aggressive behavior. The extreme complexity of this relation, however, has been the focus of extensive theory and research. And, likely due to this complexity, evidence-based programs to prevent or reduce alcohol-facilitated aggression are quite limited. We integrate I(3) Theory and Alcohol Myopia Theory to provide a framework that (1) organizes the myriad instigatory and inhibitory factors that moderate the effect of alcohol on aggression, and (2) highlights the mechanisms by which alcohol facilitates aggression among at-risk individuals...
February 2018: Current Opinion in Psychology
https://www.readbyqxmd.com/read/28649214/interactions-between-obsessional-symptoms-and-interpersonal-ambivalences-in-psychodynamic-therapy-an-empirical-case-study
#8
Shana Cornelis, Mattias Desmet, Kimberly L H D Van Nieuwenhove, Reitske Meganck, Jochem Willemsen, Ruth Inslegers, Jasper Feyaerts
The classical symptom specificity hypothesis (Blatt, 1974) particularly associates obsessional symptoms to interpersonal behavior directed at autonomy and separation from others. Cross-sectional group research, however, has yielded inconsistent findings on this predicted association, and a previous empirical case study (Cornelis et al., in press; see Chapter 2) documented obsessional pathology to be rooted in profound ambivalences between autonomous and dependent interpersonal dynamics. Therefore, in the present empirical case study, concrete operationalizations of the classical symptom specificity hypothesis are contrasted to alternative hypotheses based on the observed complexities in Chapter 2...
2017: Frontiers in Psychology
https://www.readbyqxmd.com/read/28649142/how-early-life-religious-exposure-relates-to-the-timing-of-first-birth
#9
Lisa D Pearce, Shannon N Davis
This paper examines intermediary processes explaining how religious socialization and involvement early in life are related to the timing of first births for women in the United States. The theory of conjunctural action forms the basis for hypotheses for how religious schema and materials operate to influence birth timing. Using the NLSY79 data and event history methods, the study finds evidence for expected family size, work-family gender ideology, educational attainment and enrollment, cohabitation, and age at marriage as mediators of associations between early life religious exposure (affiliation and attendance) and the timing of nonmaritally and maritally conceived first births...
October 2016: Journal of Marriage and the Family
https://www.readbyqxmd.com/read/28648805/animal-social-network-theory-can-help-wildlife-conservation
#10
REVIEW
Lysanne Snijders, Daniel T Blumstein, Christina R Stanley, Daniel W Franks
Many animals preferentially associate with certain other individuals. This social structuring can influence how populations respond to changes to their environment, thus making network analysis a promising technique for understanding, predicting, and potentially manipulating population dynamics. Various network statistics can correlate with individual fitness components and key population-level processes, yet the logical role and formal application of animal social network theory for conservation and management have not been well articulated...
June 17, 2017: Trends in Ecology & Evolution
https://www.readbyqxmd.com/read/28648689/gaining-thermodynamic-insight-from-distinct-glass-formation-kinetics-of-structurally-similar-organic-compounds
#11
Arjun Kalra, Paul Luner, Lynne S Taylor, Stephen R Byrn, Tonglei Li
Thermodynamic and kinetic aspects of crystallization of 12 structurally similar organic compounds were investigated from the supercooled liquid state by calorimetric and rheological measurements. Based on their crystallization behaviors, these compounds were divided into three categories: stable glass formers, poor glass formers, and good glass formers with poor stability on reheating. Correlation was sought between thermodynamic quantities and glass formation based on nucleation and crystal growth theories...
June 22, 2017: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28647260/numerical-simulation-of-flow-hydrodynamics-of-struvite-pellets-in-a-liquid-solid-fluidized-bed
#12
Xin Ye, Dongyuan Chu, Yaoyin Lou, Zhi-Long Ye, Ming Kuang Wang, Shaohua Chen
Phosphorus recovery in the form of struvite has been aroused in recent decades for its dual advantages in eutrophication control and resource protection. The usage of the struvite products is normally determined by the size which is largely depended on the hydrodynamics. In this study, flow behavior of struvite pellets was simulated by means of Eulerian-Eulerian two-fluid model combining with kinetic theory of granular flow in a liquid-solid fluidized bed reactor (FBR). A parametric study including the mesh size, time step, discretization strategy, turbulent model and drag model was first developed, followed by the evaluations of crucial operational conditions, particle characteristics and reactor shapes...
July 2017: Journal of Environmental Sciences (China)
https://www.readbyqxmd.com/read/28646851/development-of-an-education-campaign-to-reduce-delays-in-pre-hospital-response-to-stroke
#13
Caterina Caminiti, Peter Schulz, Barbara Marcomini, Elisa Iezzi, Silvia Riva, Umberto Scoditti, Andrea Zini, Giovanni Malferrari, Maria Luisa Zedde, Donata Guidetti, Enrico Montanari, Mario Baratti, Licia Denti
BACKGROUND: Systematic reviews call for well-designed trials with clearly described intervention components to support the effectiveness of educational campaigns to reduce patient delay in stroke presentation. We herein describe the systematic development process of a campaign aimed to increase stroke awareness and preparedness. METHODS: Campaign development followed Intervention Mapping (IM), a theory- and evidence-based tool, and was articulated in two phases: needs assessment and intervention development...
June 24, 2017: BMC Emergency Medicine
https://www.readbyqxmd.com/read/28646749/mutually-facilitated-co-transport-of-two-different-viruses-through-reactive-porous-media
#14
Shuang Xu, Ramesh Attinti, Elizabeth Adams, Jie Wei, Kalmia Kniel, Jie Zhuang, Yan Jin
In this study, we quantified transport and retention behaviors of a human pathogenic virus (Adenovirus 41, abbreviated as Ad-41) and a model bacteriophage (ϕX174) through metal oxide-removed and goethite-coated sand under saturated flow conditions. Two sets of bench scale column experiments were conducted: transport of each type of viruses alone and co-transport of both viruses. All experiments were conducted at pH 7.5 using 2 mM artificial ground water (AGW) buffer as background solution. Experimental results revealed that goethite-coated sand (i...
June 18, 2017: Water Research
https://www.readbyqxmd.com/read/28646272/rhesus-cochlear-and-vestibular-functions-are-preserved-after-inner-ear-injection-of-saline-volume-sufficient-for-gene-therapy-delivery
#15
Chenkai Dai, Mohamed Lehar, Daniel Q Sun, Lani Swarthout Rvt, John P Carey, Tim MacLachlan, Doug Brough, Hinrich Staecker, Alexandra M Della Santina, Timothy E Hullar, Charles C Della Santina
Sensorineural losses of hearing and vestibular sensation due to hair cell dysfunction are among the most common disabilities. Recent preclinical research demonstrates that treatment of the inner ear with a variety of compounds, including gene therapy agents, may elicit regeneration and/or repair of hair cells in animals exposed to ototoxic medications or other insults to the inner ear. Delivery of gene therapy may also offer a means for treatment of hereditary hearing loss. However, injection of a fluid volume sufficient to deliver an adequate dose of a pharmacologic agent could, in theory, cause inner ear trauma that compromises functional outcome...
June 23, 2017: Journal of the Association for Research in Otolaryngology: JARO
https://www.readbyqxmd.com/read/28644729/promoting-prenatal-exercise-from-a-sociocultural-and-life-course-perspective-an-embodied-conceptual-framework
#16
Shannon Jette, Julie Maier, Katelyn Esmonde, Cherise Davis
PURPOSE: Prenatal exercise is a health behavior that is receiving growing attention amid concern that women in Western societies are gaining excess weight during pregnancy and contributing to future obesity in both the mother and child. In this article, we draw on insights from the fields of social epidemiology and social theory of the body to examine existing prenatal exercise interventions and to propose a multidimensional framework intended to guide future theorizing and intervention design...
June 23, 2017: Research Quarterly for Exercise and Sport
https://www.readbyqxmd.com/read/28644655/formation-of-vacancies-in-si-and-ge-based-clathrates-role-of-electron-localization-and-symmetry-breaking
#17
Amrita Bhattacharya, Christian Carbogno, Bodo Böhme, Michael Baitinger, Yuri Grin, Matthias Scheffler
The formation of framework vacancies in Si- and Ge-based type-I clathrates is studied using density-functional theory as a function of filling the cages with K and Ba atoms. Our analysis reveals the relevance of structural disorder, geometric relaxation, and electronic saturation as well as vibrational and configurational entropy. In the Si clathrates, we find that vacancies are unstable, but very differently, in Ge clathrates, up to three vacancies per unit cell can be stabilized. This contrasting behavior is largely driven by the different energy gain on populating the electronic vacancy states, which originates from the different degree of localization of the valence orbitals of Si and Ge...
June 9, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28643894/do-implicit-and-explicit-belief-processing-share-neural-substrates
#18
Claire K Naughtin, Kristina Horne, Dana Schneider, Dustin Venini, Ashley York, Paul E Dux
Humans rely on their ability to infer another person's mental state to understand and predict others' behavior ("theory of mind," ToM). Multiple lines of research suggest that not only are humans able to consciously process another person's belief state, but also are able to do so implicitly. Here we explored how general implicit belief states are represented in the brain, compared to those substrates involved in explicit ToM processes. Previous work on this topic has yielded conflicting results, and thus, the extent to which the implicit and explicit ToM systems draw on common neural bases is unclear...
June 23, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28643833/modelling-critical-casimir-force-induced-self-assembly-experiments-on-patchy-colloidal-dumbbells
#19
Arthur C Newton, T Anh Nguyen, Sandra J Veen, Daniela J Kraft, Peter Schall, Peter G Bolhuis
Colloidal particles suspended in a binary liquid mixture can interact via solvent mediated interactions, known as critical Casimir forces. For anisotropic colloids this interaction becomes directional, which leads to rich phase behavior. While experimental imaging and particle tracking techniques allow determination of isotropic effective potentials via Boltzmann inversion, the modeling of effective interaction in anisotropic systems is non-trivial precisely because of this directionality. Here we extract effective interaction potentials for non-spherical dumbbell particles from observed radial and angular distributions, by employing reference interaction site model (RISM) theory and direct Monte Carlo simulations...
June 23, 2017: Soft Matter
https://www.readbyqxmd.com/read/28642805/a-simple-method-for-hplc-retention-time-prediction-linear-calibration-using-two-reference-substances
#20
Lei Sun, Hong-Yu Jin, Run-Tao Tian, Ming-Juan Wang, Li-Na Liu, Liu-Ping Ye, Tian-Tian Zuo, Shuang-Cheng Ma
BACKGROUND: Analysis of related substances in pharmaceutical chemicals and multi-components in traditional Chinese medicines needs bulk of reference substances to identify the chromatographic peaks accurately. But the reference substances are costly. Thus, the relative retention (RR) method has been widely adopted in pharmacopoeias and literatures for characterizing HPLC behaviors of those reference substances unavailable. The problem is it is difficult to reproduce the RR on different columns due to the error between measured retention time (tR) and predicted tR in some cases...
2017: Chinese Medicine
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