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https://www.readbyqxmd.com/read/28734837/neural-reuse-of-action-perception-circuits-for-language-concepts-and-communication
#1
REVIEW
Friedemann Pulvermüller
Neurocognitive and neurolinguistics theories make explicit statements relating specialized cognitive and linguistic processes to specific brain loci. These linking hypotheses are in need of neurobiological explanation. Recent mathematical models of human language mechanisms constrained by fundamental neuroscience principles and established knowledge about comparative neuroanatomy offer explanations for where, when and how language is processed in the human brain. In these models, network structure and connectivity along with action- and perception-induced correlation of neuronal activity co-determine neurocognitive mechanisms...
July 19, 2017: Progress in Neurobiology
https://www.readbyqxmd.com/read/28734302/analytical-derivatives-of-the-individual-state-energies-in-ensemble-density-functional-theory-method-i-general-formalism
#2
Michael Filatov, Fang Liu, Todd J Martínez
The state-averaged (SA) spin restricted ensemble referenced Kohn-Sham (REKS) method and its state interaction (SI) extension, SI-SA-REKS, enable one to describe correctly the shape of the ground and excited potential energy surfaces of molecules undergoing bond breaking/bond formation reactions including features such as conical intersections crucial for theoretical modeling of non-adiabatic reactions. Until recently, application of the SA-REKS and SI-SA-REKS methods to modeling the dynamics of such reactions was obstructed due to the lack of the analytical energy derivatives...
July 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28734210/effects-analysis-of-substituent-characteristics-and-solvents-on-the-photodegradation-of-polybrominated-diphenyl-ethers
#3
Long Jiang, Youli Qiu, Yu Li
The ultraviolet spectra and electron transition information of 209 polybrominated diphenyl ethers (PBDEs) in gas were first calculated via time-dependent density functional theory using Gaussian 09 software. The main and second-order interactional effects of substituent characteristics on the photodegradation of PBDEs were then analysed using a full factorial experimental design. Solvent effects were considered to research the effect and promotion mechanism of solvent molecules on the photodegradation of PBDEs compared with that in gas...
July 14, 2017: Chemosphere
https://www.readbyqxmd.com/read/28734094/moving-alcohol-prevention-research-forward-part-i-introducing-a-complex-systems-paradigm
#4
Yorghos Apostolopoulos, Michael K Lemke, Adam E Barry, Kristen Hassmiller Lich
BACKGROUND AND AIMS: The drinking environment is a complex system consisting of a number of heterogeneous, evolving, and interacting components, which exhibit circular causality and emergent properties. These characteristics reduce the efficacy of commonly used research approaches, which typically do not account for the underlying dynamic complexity of alcohol consumption and the interdependent nature of diverse factors influencing misuse over time. We use alcohol misuse among college students in the United States as an example for framing our argument for a complex systems paradigm...
July 22, 2017: Addiction
https://www.readbyqxmd.com/read/28733597/design-of-new-mott-multiferroics-via-complete-charge-transfer-promising-candidates-for-bulk-photovoltaics
#5
Hanghui Chen, Andrew Millis
Optimal materials to induce bulk photovoltaic effects should lack inversion symmetry and have an optical gap matching the energies of visible radiation. Ferroelectric perovskite oxides such as BaTiO3 and PbTiO3 exhibit substantial polarization and stability, but have the disadvantage of excessively large band gaps. We use both density functional theory and dynamical mean field theory calculations to design a new class of Mott multiferroics-double perovskite oxides A 2VFeO6 (A = Ba, Pb, etc). While neither perovskite AVO3 nor AFeO3 is ferroelectric, in the double perovskite A 2VFeO6 a 'complete' charge transfer from V to Fe leads to a non-bulk-like charge configuration-an empty V-d shell and a half-filled Fe-d shell, giving rise to a polarization comparable to that of ferroelectric ATiO3...
July 21, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28733461/should-heart-failure-be-regarded-as-a-terminal-illness-requiring-palliative-care-a-study-of-heart-failure-patients-carers-and-clinicians-understanding-of-heart-failure-prognosis-and-its-management
#6
Rachel Stocker, Helen Close, Helen Hancock, A Pali S Hungin
OBJECTIVES: Communication and planning for heart failure (HF) care near the end of life is known to be complex. Little is known about how the patient experience of palliative assessment and communication needs change over time, and how this might inform management. Our aim was to explore experiences of giving or receiving a prognosis and advanced palliative care planning (ACP) for those with HF. METHODS: We carried out a longitudinal grounded theory study, employing in-depth interviews with 14 clinicians (primary and secondary care) and observations of clinic and home appointments, followed by a series of interviews with 13 patients with HF and 9 carers...
July 21, 2017: BMJ Supportive & Palliative Care
https://www.readbyqxmd.com/read/28731755/spacetime-symmetries-and-conformal-data-in-the-continuous-multiscale-entanglement-renormalization-ansatz
#7
Q Hu, G Vidal
The generalization of the multiscale entanglement renormalization ansatz (MERA) to continuous systems, or cMERA [Haegeman et al., Phys. Rev. Lett. 110, 100402 (2013)PRLTAO0031-900710.1103/PhysRevLett.110.100402], is expected to become a powerful variational ansatz for the ground state of strongly interacting quantum field theories. In this Letter, we investigate, in the simpler context of Gaussian cMERA for free theories, the extent to which the cMERA state |Ψ^{Λ}⟩ with finite UV cutoff Λ can capture the spacetime symmetries of the ground state |Ψ⟩...
July 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28731693/isolable-bis-triarylamine-dications-analogues-of-thiele-s-chichibabin-s-and-m%C3%A3-ller-s-hydrocarbons
#8
Gengwen Tan, Xinping Wang
Since the pioneering work by Thiele and Chichibabin, who synthesized the first diradicals bridged by phenylene and biphenylene groups in 1904 and 1907, respectively, numerous efforts have been devoted to synthesizing stable diradicals during the last few decades, and several strategies have been developed to stabilize these highly reactive diradicals. In this Account, we describe the synthesis and characterization of isolable bis(triarylamine) dications, nitrogen analogues of Thiele's, Chichibabin's, and Müller's hydrocarbons, which represent facilely accessible, stable diradicals by replacing carbinyl centers with isoelectronic aminium centers...
July 21, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28731385/kids-sip-smarter-a-feasibility-study-to-reduce-sugar-sweetened-beverage-consumption-among-middle-school-youth-in-central-appalachia
#9
Hannah Lane, Kathleen J Porter, Erin Hecht, Priscilla Harris, Vivica Kraak, Jamie Zoellner
PURPOSE: To test the feasibility of Kids SIP smartER, a school-based intervention to reduce consumption of sugar-sweetened beverages (SSBs). DESIGN: Matched-contact randomized crossover study with mixed-methods analysis. SETTING: One middle school in rural, Appalachian Virginia. PARTICIPANTS: Seventy-four sixth and seventh graders (5 classrooms) received Kids SIP smartER in random order over 2 intervention periods. Feasibility outcomes were assessed among 2 teachers...
January 1, 2017: American Journal of Health Promotion: AJHP
https://www.readbyqxmd.com/read/28730741/the-power-of-competence-support-the-impact-of-coaches-and-athlete-leaders-on-intrinsic-motivation-and-performance
#10
Katrien Fransen, Filip Boen, Maarten Vansteenkiste, Niels Mertens, Gert Vande Broek
Grounded in the Cognitive Evaluation Theory, a mini-theory of Self-Determination Theory, this experimental field study sought to examine the impact of competence support of both coaches and athlete leaders on athletes' competence satisfaction, intrinsic motivation, and subjective as well as objective performance. Male basketball players (N = 120) were allocated to groups of five players. These groups were then randomly assigned to a control group or to one of three experimental conditions. In these experimental conditions either the coach, the athlete leader, or both provided motivational feedback to their team...
July 21, 2017: Scandinavian Journal of Medicine & Science in Sports
https://www.readbyqxmd.com/read/28730559/fathers-know-best-inner-city-african-american-fathers-perceptions-regarding-their-involvement-in-the-pediatric-medical-home
#11
Orville Newton-Ray Bignall, Whitney J Raglin Bignall, Lisa M Vaughn, Ndidi I Unaka
OBJECTIVE: Despite nearly three in four African American (AA) children being born to unwed mothers, AA fathers maintain relatively high levels of parenting engagement, whether or not they live with their children. While father involvement correlates with decreased adverse child health outcomes, the nature of AA father involvement in child health-including engagement in the pediatric medical home-remains largely unexplored. Our study aimed to assess perceptions of pediatric medical home participation among a cohort of urban, AA fathers...
July 20, 2017: Journal of Racial and Ethnic Health Disparities
https://www.readbyqxmd.com/read/28729674/ab-initio-calculation-of-energy-levels-for-phosphorus-donors-in-silicon
#12
J S Smith, A Budi, M C Per, N Vogt, D W Drumm, L C L Hollenberg, J H Cole, S P Russo
The s manifold energy levels for phosphorus donors in silicon are important input parameters for the design and modeling of electronic devices on the nanoscale. In this paper we calculate these energy levels from first principles using density functional theory. The wavefunction of the donor electron's ground state is found to have a form that is similar to an atomic s orbital, with an effective Bohr radius of 1.8 nm. The corresponding binding energy of this state is found to be 41 meV, which is in good agreement with the currently accepted value of 45...
July 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28729312/protocol-a-grounded-theory-of-recovery-perspectives-of-adolescent-users-of-mental-health-services
#13
Lucianne Palmquist, Sue Patterson, Analise O'Donovan, Graham Bradley
INTRODUCTION: Policies internationally endorse the recovery paradigm as the appropriate foundation for youth mental health services. However, given that this paradigm is grounded in the views of adults with severe mental illness, applicability to youth services and relevance to young people is uncertain, particularly as little is known about young people's views. A comprehensive understanding of the experiences and expectations of young people is critical to developing youth mental health services that are acceptable, accessible, effective and relevant...
July 20, 2017: BMJ Open
https://www.readbyqxmd.com/read/28728768/maintaining-integrity-how-nurses-navigate-boundaries-in-pediatric-palliative-care
#14
Alyssa Erikson, Betty Davies
PURPOSE: To explore how nurses manage personal and professional boundaries in caring for seriously ill children and their families. DESIGN AND METHODS: Using a constructivist grounded theory approach, a convenience sample of 18 registered nurses from four practice sites was interviewed using a semi-structured interview guide. RESULTS: Nurses across the sites engaged in a process of maintaining integrity whereby they integrated two competing, yet essential, aspects of their nursing role - behaving professionally and connecting personally...
July 2017: Journal of Pediatric Nursing
https://www.readbyqxmd.com/read/28728478/psychosocial-response-to-new-onset-diabetes-as-a-long-term-effect-of-allogeneic-hematopoietic-stem-cell-transplantation
#15
Jill M Olausson, Lauren Clark, Janice M Morse, Marilyn Hammer, Nancy Allen, Marcia Grant
Currently, little information is available to guide health care practitioners on how to facilitate positive outcomes in individuals who develop new-onset diabetes after allogeneic hematopoietic stem cell transplantation (allo HSCT) for treatment of hematological cancers. Results from this constructivist grounded theory study provide a theoretical framework explaining the psychosocial process of change that middle-age and older adults experience when developing new-onset diabetes in this context. Two predominant factors influenced this change: treatment burden and perception of diabetes...
July 1, 2017: Qualitative Health Research
https://www.readbyqxmd.com/read/28726889/modeling-electrochromic-poly-dioxythiophene-containing-materials-through-tddft
#16
D L Wheeler, L E Rainwater, A R Green, A L Tomlinson
A DFT/TDDFT model was developed to predict the chemical properties for three colored to nearly transmissive electrochromic polymers synthesized by the John Reynolds's group. Using a functional-basis set pairing of mPW1PBE/cc-PVDZ along with the conductor polarizable calculation model (CPCM), simulated neutral spectra showed a strong correlation to the experimental UV-Vis data where the largest absolute peak maximum difference was 14 nm. Frontier molecular orbitals, electronic transitions, and ground-state geometries of these systems were evaluated to provide further information about the oxidative process the polymers undergo...
July 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28726015/community-perceptions-of-hospitals-and-shared-physical-space-a-qualitative-study
#17
Daniel Skinner, Berkeley Franz, Kelly Kelleher, Robert Penfold
In addition to providing critical medical services to communities, hospitals are also forces of broader change when seen from the perspective of neighborhood development. Over the past few decades the obligation on the part of U.S. nonprofit hospitals to positively impact the communities in which they are located has become entrenched in both U.S. tax law and the practices of many hospitals. This article presents findings from a grounded theory qualitative study of the relationship between a non-profit children's hospital in Columbus, Ohio, and the neighborhood in which it is located...
July 19, 2017: Culture, Medicine and Psychiatry
https://www.readbyqxmd.com/read/28725385/do-movement-behaviors-identify-reproductive-habitat-sampling-for-wild-turkeys
#18
Mason D Conley, Nathan A Yeldell, Michael J Chamberlain, Bret A Collier
Selection of habitats has regularly been suggested to influence species demography at both local and broad scales. The expectation is that selection behaviors have positive benefits via greater fitness or increased survival. The current paradigm of habitat selection theory suggests a hierarchical process, where an individual first selects where they choose to live (e.g., range) and then searches and selects locations within this range meeting life history needs. Using high-frequency GPS data collected from reproductively active Rio Grande (n = 21) and Eastern (n = 23) wild turkeys, we evaluated a long-standing theory for ground-nesting galliformes, in that movements during the prenesting period are behaviorally focused on sampling available habitats to optimize the selection of nesting sites...
October 2016: Ecology and Evolution
https://www.readbyqxmd.com/read/28724297/-living-in-the-moment-among-cancer-survivors-who-report-life-transforming-change
#19
Perry Skeath, Ann Berger
BACKGROUND: Some cancer survivors say that while coping with their illness they have had what they identify as a highly beneficial, personal, life-transforming change (LTC; a self-subscribed condition among participants in this study, not a researcher-defined construct). Previously we found that the content of LTC was highly individual; but certain features of the LTC process were quite uniform. For example, LTC was driven by a very rational desire to remain genuinely functional as a person in the midst of highly stressful circumstances...
July 2017: Annals of Palliative Medicine
https://www.readbyqxmd.com/read/28724020/the-home-care-teaching-and-learning-process-in-undergraduate-health-care-degree-courses
#20
Ana Paula Hermann, Maria Ribeiro Lacerda, Mariluci Alves Maftum, Elizabeth Bernardino, Ana Lúcia Schaefer Ferreira de Mello
Home care, one of the services provided by the health system, requires health practitioners who are capable of understanding its specificities. This study aimed to build a substantive theory that describes experiences of home care teaching and learning during undergraduate degree courses in nursing, pharmacy, medicine, nutrition, dentistry and occupational therapy. A qualitative analysis was performed using the grounded theory approach based on the results of 63 semistructured interviews conducted with final year students, professors who taught subjects related to home care, and recent graduates working with home care, all participants in the above courses...
July 2017: Ciência & Saúde Coletiva
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