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Grounded theory

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https://www.readbyqxmd.com/read/28214167/psychometric-evaluation-and-design-of-patient-centered-communication-measures-for-cancer-care-settings
#1
Bryce B Reeve, David M Thissen, Carla M Bann, Nicole Mack, Katherine Treiman, Hanna K Sanoff, Nancy Roach, Brooke E Magnus, Jason He, Laura K Wagner, Rebecca Moultrie, Kathryn D Jackson, Courtney Mann, Lauren A McCormack
OBJECTIVE: To evaluate the psychometric properties of questions that assess patient perceptions of patient-provider communication and design measures of patient-centered communication (PCC). METHODS: Participants (adults with colon or rectal cancer living in North Carolina) completed a survey at 2 to 3 months post-diagnosis. The survey included 87 questions in six PCC Functions: Exchanging Information, Fostering Health Relationships, Making Decisions, Responding to Emotions, Enabling Patient Self-Management, and Managing Uncertainty...
February 10, 2017: Patient Education and Counseling
https://www.readbyqxmd.com/read/28211456/learning-from-data-to-design-functional-materials-without-inversion-symmetry
#2
Prasanna V Balachandran, Joshua Young, Turab Lookman, James M Rondinelli
Accelerating the search for functional materials is a challenging problem. Here we develop an informatics-guided ab initio approach to accelerate the design and discovery of noncentrosymmetric materials. The workflow integrates group theory, informatics and density-functional theory to uncover design guidelines for predicting noncentrosymmetric compounds, which we apply to layered Ruddlesden-Popper oxides. Group theory identifies how configurations of oxygen octahedral rotation patterns, ordered cation arrangements and their interplay break inversion symmetry, while informatics tools learn from available data to select candidate compositions that fulfil the group-theoretical postulates...
February 17, 2017: Nature Communications
https://www.readbyqxmd.com/read/28210964/exploring-partners-experiences-in-living-with-patients-who-undergo-bariatric-surgery
#3
Anna Wallwork, Lynn Tremblay, Monica Chi, Sanjeev Sockalingam
BACKGROUND: Bariatric surgery is effective in assisting persons with severe obesity in achieving significant weight loss and improved health; however, success depends on one's lifelong commitment to lifestyle modifications post-operatively. Life partners can be essential to the success of bariatric patients as they can serve as a primary resource to patients and healthcare teams. This study aimed to explore bariatric patients' partner's experiences in order to help inform clinical practice in bariatric care to better address patient and partner needs...
February 16, 2017: Obesity Surgery
https://www.readbyqxmd.com/read/28210726/exploring-the-interaction-of-phenothiazinium-dyes-methylene-blue-new-methylene-blue-azure-a-and-azure-b-with-trna-phe-spectroscopic-thermodynamic-voltammetric-and-molecular-modeling-approach
#4
Puja Paul, Soumya Sundar Mati, Subhash Chandra Bhattacharya, Gopinatha Suresh Kumar
This study focuses on the understanding of the interaction of phenothiazinium dyes methylene blue (MB), new methylene blue (NMB), azure A (AZA) and azure B (AZB) with tRNA(Phe) with particular emphasis on deciphering the mode and energetics of the binding. Strong intercalative binding to tRNA(Phe) was observed for MB, NMB and AZB, bound by a partial intercalative mode. AZA has shown groove binding characteristics. From spectroscopic studies binding affinity values of the order of 10(5) M(-1) were deduced for these dyes; the trend varied as MB > NMB > AZB > AZA...
February 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28208401/supersymmetric-spin-chains-with-nonmonotonic-dispersion-relation-criticality-and-entanglement-entropy
#5
José A Carrasco, Federico Finkel, Artemio González-López, Miguel A Rodríguez
We study the critical behavior and the ground-state entanglement of a large class of su(1|1) supersymmetric spin chains with a general (not necessarily monotonic) dispersion relation. We show that this class includes several relevant models, with both short- and long-range interactions of a simple form. We determine the low temperature behavior of the free energy per spin, and deduce that the models considered have a critical phase in the same universality class as a (1+1)-dimensional conformal field theory (CFT) with central charge equal to the number of connected components of the Fermi sea...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28206846/the-healer-s-art-hart-veterinary-students-connecting-with-self-peers-and-the-profession
#6
Beatrice Meyer-Parsons, Sarah Van Etten, Jane R Shaw
This case study sought to understand veterinary students' perceptions and experiences of the Healer's Art (HART) elective to support well-being and resilience. Students' "mindful attention" was assessed using the MAAS-State scale. Course evaluations and written materials for course exercises (artifacts) across the 2012-2015 cohorts of Colorado State University's HART veterinary students (n=99) were analyzed for themes using a grounded theory approach, followed by thematic comparison with analyses of HART medical student participants...
2017: Journal of Veterinary Medical Education
https://www.readbyqxmd.com/read/28204944/photodissociation-of-fono-an-excited-state-nonadiabatic-dynamics-study
#7
Allaa R Hilal, Rifaat Hilal
The photo dissociation of nitrosyl fluorite, FONO, a potential source of atmospheric fluorine, underlies its active role in ozone depletion and other activities in the troposphere. In the present work, the electronic structure of FONO is revisited at high level of ab initio and density functional theory (DFT) theoretical levels. Several different post SCF methods were used to compute excited states, vertical excitation energies and intensities, namely configuration interaction with single excitations (CIS), equation of motion coupled cluster with single and double excitations (EOM-CCSD), and symmetry adopted cluster configuration interaction (SAC-CI) methods...
March 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28203635/grounded-understanding-of-abstract-concepts-the-case-of-stem-learning
#8
REVIEW
Justin C Hayes, David J M Kraemer
Characterizing the neural implementation of abstract conceptual representations has long been a contentious topic in cognitive science. At the heart of the debate is whether the "sensorimotor" machinery of the brain plays a central role in representing concepts, or whether the involvement of these perceptual and motor regions is merely peripheral or epiphenomenal. The domain of science, technology, engineering, and mathematics (STEM) learning provides an important proving ground for sensorimotor (or grounded) theories of cognition, as concepts in science and engineering courses are often taught through laboratory-based and other hands-on methodologies...
2017: Cogn Res Princ Implic
https://www.readbyqxmd.com/read/28203452/observation-in-grounded-theory-and-ethnography-what-are-the-differences
#9
Tahereh Fathi Najafi, Robab Latifnejad Roudsari, Hossein Ebrahimipour, Narjes Bahri
No abstract text is available yet for this article.
November 2016: Iranian Red Crescent Medical Journal
https://www.readbyqxmd.com/read/28201914/macroscopic-dielectric-function-within-time-dependent-density-functional-theory-real-time-evolution-versus-the-casida-approach
#10
Tobias Sander, Georg Kresse
Linear optical properties can be calculated by solving the time-dependent density functional theory equations. Linearization of the equation of motion around the ground state orbitals results in the so-called Casida equation, which is formally very similar to the Bethe-Salpeter equation. Alternatively one can determine the spectral functions by applying an infinitely short electric field in time and then following the evolution of the electron orbitals and the evolution of the dipole moments. The long wavelength response function is then given by the Fourier transformation of the evolution of the dipole moments in time...
February 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28201899/the-electric-dipole-moments-in-the-ground-states-of-gold-oxide-auo-and-gold-sulfide-aus
#11
Ruohan Zhang, Yuanqin Yu, Timothy C Steimle, Lan Cheng
The B(2)Σ(-) - X(2)Π3/2(0,0) bands of a cold molecular beam sample of gold monoxide, AuO, and gold monosulfide, AuS, have been recorded at high resolution both field free and in the presence of a static electric field. The observed electric field induced splittings and shifts were analyzed to produce permanent electric dipole moments, μ→el, of 2.94±0.06 D and 2.22±0.05 D for the X(2)Π3/2(v = 0) states of AuO and AuS, respectively. A molecular orbital correlation diagram is used to rationalize the trend in ground state μ→el values for AuX (X = F, Cl, O, and S) molecules...
February 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28201879/full-dimensional-ground-and-excited-state-potential-energy-surfaces-and-state-couplings-for-photodissociation-of-thioanisole
#12
Shaohong L Li, Donald G Truhlar
Analytic potential energy surfaces (PESs) and state couplings of the ground and two lowest singlet excited states of thioanisole (C6H5SCH3) are constructed in a diabatic representation based on electronic structure calculations including dynamic correlation. They cover all 42 internal degrees of freedom and a wide range of geometries including the Franck-Condon region and the reaction valley along the breaking S-CH3 bond with the full ranges of the torsion angles. The parameters in the PESs and couplings are fitted to the results of smooth diabatic electronic structure calculations including dynamic electron correlation by the extended multi-configurational quasi-degenerate perturbation theory method for the adiabatic state energies followed by diabatization by the fourfold way...
February 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28199126/singularity-correction-for-long-range-corrected-density-functional-theory-with-plane-wave-basis-sets
#13
Yukio Kawashima, Kimihiko Hirao
We introduced two methods to correct the singularity in the calculation of long-range HF exchange for long-range corrected density functional theory (LC-DFT) calculations in plane-wave basis sets. The first method introduces an auxiliary function to cancel out the singularity. The second method introduces a truncated long-range Coulomb potential, which has no singularity. We assessed the introduced methods using the LC-BLYP functional by applying it to isolated systems of naphthalene and pyridine. We first compared the total energies and the HOMO energies of the singularity-corrected and uncorrected calculations and confirmed that singularity correction is essential for LC-DFT calculations using plane-wave basis sets...
February 15, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28198962/myocardial-revascularization-factors-intervening-in-the-reference-and-counter-reference-in-primary-health-care
#14
Kamylla Santos da Cunha, Giovana Dorneles Callegaro Higashi, Alacoque Lorenzini Erdmann, Carolina Kahl, Cintia Koerich, Betina Hörner Schlindwein Meirelles
OBJECTIVE: Understanding the factors that influence the reference and counter-reference process of people indicated/submitted to Myocardial Revascularization surgery in the Primary Health Care scenario. METHOD: A qualitative research anchored in the Grounded Theory, totaling 41 participants subdivided into three groups (patients, health professionals and managers) in the Metropolitan and West Region of Santa Catarina. RESULTS: Two categories elucidate the intervening factors found, contrasting the potentialities and obstacles in (creating) the bond between people affected by cardiovascular diseases and primary health care for the reference process, highlighting weaknesses in the primary health care services provided, with failures in the counter-reference for people submitted to myocardial revascularization surgery...
November 2016: Revista da Escola de Enfermagem da U S P
https://www.readbyqxmd.com/read/28198353/adsorption-and-migration-of-single-metal-atoms-on-the-calcite-10-4-surface
#15
H Pinto, V Haapasilta, M Lokhandwala, S Öberg, Adam S Foster
Transition metal atoms are one of the key ingredients in the formation of functional 2D metal organic coordination networks. Additionally, the co-deposition of metal atoms can play an important role in anchoring the molecular structures to the surface at room temperature. To gain control of such processes requires the understanding of adsorption and diffusion properties of the different transition metals on the target surface. Here, we used density functional theory to investigate the adsorption of 3d (Ti, Cr, Fe, Ni, Cu), 4d (Zr, Nb, Mo, Pd, Ag) and 5d (Hf, W, Ir, Pt, Au) transition metal adatoms on the insulating calcite (10...
February 15, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28198127/a-stable-saddle-shaped-polycyclic-hydrocarbon-with-an-open-shell-singlet-ground-state
#16
Ji Ma, Junzhi Liu, Martin Baumgarten, Yubin Fu, Yuan-Zhi Tan, Karl Sebastian Schellhammer, Frank Ortmann, Gianaurelio Cuniberti, Hartmut Komber, Reinhard Berger, Klaus Müllen, Xinliang Feng
Diindeno-fused bischrysene, a new diindeno-based polycyclic hydrocarbon (PH), was synthesized and characterized. It was elucidated in detailed experimental and theoretical studies that this cyclopenta-fused PH possesses an open-shell singlet biradical structure in the ground state and exhibits high stability under ambient conditions (t1/2 =39 days). The crystal structure unambiguously shows a novel saddle-shaped π-conjugated carbon skeleton due to the steric hindrance of the central cove-edged bischrysene unit...
February 15, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28197858/mapping-biological-transmission-an-empirical-dynamical-and-evolutionary-approach
#17
Francesca Merlin, Livio Riboli-Sasco
The current debate over extending inheritance and its evolutionary impact has focused on adding new categories of non-genetic factors to the classical transmission of DNA, and on trying to redefine inheritance. Transmitted factors have been mainly characterized by their directions of transmission (vertical, horizontal, or both) and the way they store variations. In this paper, we leave aside the issue of defining inheritance. We rather try to build an evolutionary conceptual framework that allows for tracing most, if not all forms of transmission and makes sense of their different tempos and modes...
February 14, 2017: Acta Biotheoretica
https://www.readbyqxmd.com/read/28195479/energetic-properties-and-electronic-structure-of-c-n-o-p-and-c-n-s-p-isomers
#18
Brian Finney, Kanchana Sahan Thanthiriwatte, Joseph S Francisco, David A Dixon
Correlated molecular orbital theory at the coupled cluster CCSD(T) level with augmented correlation consistent basis sets including F12 explicit correlation has been used to predict the structure and energetic properties of the isomers of [C,N,O,P] and [C,N,S,P]. The predicted ground states are the species derived from a trivalent P with a P=O or P=S bond and a cyano group bonded to the P. The other low energy isomers are the isonitriles and they are 1.4 kcal/mol and 6.6 less stable than the ground state for P=O and P=S, respectively...
February 14, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28193192/taking-care-of-oneself-by-regaining-control-a-key-to-continue-living-four-to-five-decades-after-a-suicide-attempt-in-severe-depression
#19
Lisa Crona, Margaretha Stenmarker, Agneta Öjehagen, Ulrika Hallberg, Louise Brådvik
BACKGROUND: Depression is a strong risk factor for suicide and suicide attempt. Several studies have examined the pathway to suicide attempt, but few studies have considered aspects important for overcoming being suicidal. The aim of the present study was to examine personal strategies to continue living after a suicide attempt. METHODS: A qualitative grounded theory approach was used. Thirteen former inpatients diagnosed with severe depression (1956-1969) participated in a follow-up 42-56 years after their last suicide attempt, which occurred between the ages of 21 and 45...
February 13, 2017: BMC Psychiatry
https://www.readbyqxmd.com/read/28192642/theoretical-rationalization-for-reduced-charge-recombination-in-bulky-carbazole-based-sensitizers-in-solar-cells
#20
Yaowarat Surakhot, Viktor Laszlo, Chirawat Chitpakdee, Vinich Promarak, Taweesak Sudyoadsuk, Nawee Kungwan, Tim Kowalczyk, Stephan Irle, Siriporn Jungsuttiwong
The search for greater efficiency in organic dye-sensitized solar cells (DSCs) and in their perovskite cousins is greatly aided by a more complete understanding of the spectral and morphological properties of the photoactive layer. This investigation resolves a discrepancy in the observed photoconversion efficiency (PCE) of two closely related DSCs based on carbazole-containing D-π-A organic sensitizers. Detailed theoretical characterization of the absorption spectra, dye adsorption on TiO2 , and electronic couplings for charge separation and recombination permit a systematic determination of the origin of the difference in PCE...
February 13, 2017: Journal of Computational Chemistry
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