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https://www.readbyqxmd.com/read/28211717/isomeric-character-of-the-lowest-observed-4-state-in-44-s
#1
J J Parker, I Wiedenhöver, P D Cottle, J Baker, D McPherson, M A Riley, D Santiago-Gonzalez, A Volya, V M Bader, T Baugher, D Bazin, A Gade, T Ginter, H Iwasaki, C Loelius, C Morse, F Recchia, D Smalley, S R Stroberg, K Whitmore, D Weisshaar, A Lemasson, H L Crawford, A O Macchiavelli, K Wimmer
Previous experiments observed a 4^{+} state in the N=28 nucleus ^{44}S and suggested that this state may exhibit a hindered E2-decay rate, inconsistent with being a member of the collective ground state band. We populate this state via two-proton knockout from a beam of exotic ^{46}Ar projectiles and measure its lifetime using the recoil distance method with the GRETINA γ-ray spectrometer. The result, 76(14)_{stat}(20)_{syst}  ps, implies a hindered transition of B(E2;4^{+}→2_{1}^{+})=0.61(19) single-particle or Weisskopf units strength and supports the interpretation of the 4^{+} state as a K=4 isomer, the first example of a high-K isomer in a nucleus of such low mass...
February 3, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28181047/purpose-and-character-development-in-early-adolescence
#2
Heather Malin, Indrawati Liauw, William Damon
Character development in adolescence is of growing interest among psychology researchers and educators, yet there is little consensus about how character should be defined and studied among developmental scientists. In particular, there is no fully developed framework for investigating the developmental relationships among different character strengths. This study examines the developmental relations between purpose and three other key character strengths that emerge during early adolescence: gratitude, compassion, and grit...
February 8, 2017: Journal of Youth and Adolescence
https://www.readbyqxmd.com/read/28181015/a-density-functional-theory-investigation-of-the-interaction-of-the-tetraaqua-calcium-cation-with-bidentate-carbonyl-ligands
#3
Daniel Garcez S Quattrociocchi, Marcos Vinicius Monsores Meuser, Glaucio Braga Ferreira, José Walkimar de M Carneiro, Stanislav R Stoyanov, Leonardo Moreira da Costa
Calcium complexes with bidentate carbonyl ligands are important in biological systems, medicine and industry, where the concentration of Ca(2+) is controlled using chelating ligands. The exchange of two water molecules of [Ca(H2O)6](2+) for one bidentate monosubstituted and homo disubstituted dicarbonyl ligand was investigated using the B3LYP/6-311++G(d,p) method. The ligand substituents NH2, OCH3, OH, CH3, H, F, Cl, CN and NO2 are functional groups with distinct electron-donating and -withdrawing effects that bond directly to the sp(2) C atom of the carbonyl group...
February 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28161777/reactivity-of-phosphorene-with-a-3d-element-trioxide-cro3-considering-van-der-waals-molecular-interactions-a-dft-d2-study
#4
Pamela Rubio-Pereda, Gregorio H Cocoletzi
First-principle calculations are performed to investigate the interaction between clean black phosphorene and the CrO3 molecule which is known to be a powerful oxidizer and a suspected carcinogen. Van der Waals forces are included in all calculations through empirical corrections. Energetics studies are first done to determine the structural stability. Then charge density, Löwdin population analysis and electronic states are evaluated. Results show that the CrO3 molecule, with an acceptor electron character, is chemisorbed on the phosphorene surface inducing minimal geometrical distortions, however, after adsorption, a partial charge gradient is produced between the P atoms located at the phosphorene upper and lower planes...
February 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28157717/structure-and-properties-of-polycaprolactone-chitosan-nonwovens-tailored-by-solvent-systems
#5
Olga Urbanek, Paweł Sajkiewicz, Filippo Pierini, Maciej Czerkies, Dorota Kołbuk
Electrospinning of chitosan blends is a reasonable idea to prepare fibre mats for biomedical applications. Synthetic and natural components provide, for example, appropriate mechanical strength and biocompatibility, respectively. However, solvent characteristics and the polyelectrolyte nature of chitosan influence the spinnability of these blends. In order to compare the effect of solvent on polycaprolactone/chitosan fibres, two types of the most commonly used solvent systems were chosen, namely 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) and acetic acid (AA)/formic acid (FA)...
February 3, 2017: Biomedical Materials
https://www.readbyqxmd.com/read/28157170/theoretical-study-of-intramolecular-interactions-in-peri-substituted-naphthalenes-chalcogen-and-hydrogen-bonds
#6
Goar Sánchez-Sanz, Ibon Alkorta, José Elguero
A theoretical study of the peri interactions, both intramolecular hydrogen (HB) and chalcogen bonds (YB), in 1-hydroxy-8YH-naphthalene, 1,4-dihydroxy-5,8-di-YH-naphthalene, and 1,5-dihydroxy-4,8-di-YH-naphthalene, with Y = O, S, and Se was carried out. The systems with a OH:Y hydrogen bond are the most stable ones followed by those with a chalcogen O:Y interaction, those with a YH:O hydrogen bond (Y = S and Se) being the least stable ones. The electron density values at the hydrogen bond critical points indicate that they have partial covalent character...
February 2, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28150897/connectivity-strength-weighted-sparse-group-representation-based-brain-network-construction-for-mci-classification
#7
Renping Yu, Han Zhang, Le An, Xiaobo Chen, Zhihui Wei, Dinggang Shen
Brain functional network analysis has shown great potential in understanding brain functions and also in identifying biomarkers for brain diseases, such as Alzheimer's disease (AD) and its early stage, mild cognitive impairment (MCI). In these applications, accurate construction of biologically meaningful brain network is critical. Sparse learning has been widely used for brain network construction; however, its l1 -norm penalty simply penalizes each edge of a brain network equally, without considering the original connectivity strength which is one of the most important inherent linkwise characters...
February 2, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28142246/everyday-worry-in-adolescents-with-and-without-chronic-pain-a-diary-study
#8
Emma Fisher, Edmund Keogh, Christopher Eccleston
Young people report frequent worry, but we know little about the extent, character, or consequence of worry in adolescence, or individual differences associated with worry. Adolescents with chronic pain are one population that are known to have high levels of anxiety, which is associated with higher levels of disability and depression, impairing function. In this study we report a diary study: adolescents (N = 60; aged 16-18) recorded their worry over seven days. Our first aim was to describe the characteristics of adolescent worry and its consequences in a community sample...
February 1, 2017: Psychology, Health & Medicine
https://www.readbyqxmd.com/read/28118683/care-co-ordination-for-older-people-in-the-third-sector-scoping-the-evidence
#9
REVIEW
Michele Abendstern, Jane Hughes, Rowan Jasper, Caroline Sutcliffe, David Challis
The third sector has played a significant role internationally in the delivery of adult social care services for many years. Its contribution to care co-ordination activities for older people, however, in England and elsewhere, is relatively unknown. A scoping review was therefore conducted to ascertain the character of the literature, the nature and extent of third sector care co-ordination activity, and to identify evidence gaps. It was undertaken between autumn 2013 and summer 2014 and updated with additional searches in 2016...
January 24, 2017: Health & Social Care in the Community
https://www.readbyqxmd.com/read/28112299/fluorescent-h-aggregates-of-an-asymmetrically-substituted-mono-amino-zn-ii-phthalocyanine
#10
Malgorzata Bayda, Fabienne Dumoulin, Gordon L Hug, Jacek Koput, Rafal Gorniak, Aleksandra Wojcik
The photophysical properties of a newly synthesized unsymmetrically substituted zinc phthalocyanine derivative (1) bearing in its peripheral positions six n-hexylsulfanyl substituents and one amino-terminated n-hexylsulfanyl substituent were investigated. This mono-amino phthalocyanine exhibited a high tendency to form H-type aggregates in all of the investigated solvents: dichloromethane (DCM), tetrahydrofuran (THF) and dimethyl sulfoxide (DMSO). Several species of H-aggregates were present together in relatively broad concentration ranges in THF and DCM, whereas in DMSO they were observed separately depending on the concentration used...
January 23, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28107056/selfing-local-mate-competition-and-reinforcement
#11
Mark D Rausher
Reinforcement can contribute to speciation by increasing the strength of prezygotic isolating mechanisms. Theoretical analyses over the past two decades have demonstrated that conditions for reinforcement are not unduly restrictive, and empirical investigations have documented over a dozen likely cases, indicating that it may be a reasonably common phenomenon in nature. Largely uncharacterized, however, is the diversity of biological scenarios that can create the reduced hybrid fitness that drives reinforcement...
February 2017: American Naturalist
https://www.readbyqxmd.com/read/28107055/radiating-despite-a-lack-of-character-ecological-divergence-among-closely-related-morphologically-similar-honeyeaters-aves-meliphagidae-co-occurring-in-arid-australian-environments
#12
Eliot T Miller, Sarah K Wagner, Luke J Harmon, Robert E Ricklefs
Quantifying the relationship between form and function can inform use of morphology as a surrogate for ecology. How the strength of this relationship varies continentally can inform understanding of evolutionary radiations; for example, does the relationship break down when certain lineages invade and diversify in novel habitats? The 75 species of Australian honeyeaters (Meliphagidae) are morphologically and ecologically diverse, with species feeding on nectar, insects, fruit, and other resources. We investigated Meliphagidae ecomorphology and community structure by (1) quantifying the concordance between morphology and ecology (foraging behavior), (2) estimating rates of trait evolution in relation to the packing of ecological space, and (3) comparing phylogenetic and trait community structure across the broad environmental gradients of the continent...
February 2017: American Naturalist
https://www.readbyqxmd.com/read/28098456/ultrafast-electronic-relaxation-through-a-conical-intersection-nonadiabatic-dynamics-disentangled-through-an-oscillator-strength-based-diabatization-framework
#13
Gregory R Medders, Ethan C Alguire, Amber Jain, Joseph E Subotnik
We employ surface hopping trajectories to model the short-time dynamics of gas-phase and partially solvated 4-(N,N-dimethylamino)benzonitrile (DMABN), a dual fluorescent molecule that is known to undergo a nonadiabatic transition through a conical intersection. To compare theory vs time-resolved fluorescence measurements, we calculate the mixed quantum-classical density matrix and the ensemble averaged transition dipole moment. We introduce a diabatization scheme based on the oscillator strength to convert the TDDFT adiabatic states into diabatic states of La and Lb character...
February 9, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28098277/tuning-of-intrinsic-antiferromagnetic-to-ferromagnetic-ordering-in-microporous-%C3%AE-mno2-by-inducing-tensile-strain
#14
G Kruthika, J Karthikeyan, P Murugan
By employing first principles density functional calculations, we investigated an α-MnO2 compound with a tunnel framework, which provides an eminent platform to alter the intrinsic antiferromagnetic (AFM) to ferromagnetic (FM) ordering, through the introduction of chemical or mechanical tensile strain. Our calculations further showed that the strength of FM ordering increases until 10% triaxial tensile strain. Since long range FM ordering is induced, it is realized to be superior as compared to the experimentally observed short-range FM ordering in oxygen-deficient compound...
February 1, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28098216/chemical-bonding-in-aqueous-hexacyano-cobaltate-from-photon-and-electron-detection-perspectives
#15
Sreeju Sreekantan Nair Lalithambika, Kaan Atak, Robert Seidel, Antje Neubauer, Tim Brandenburg, Jie Xiao, Bernd Winter, Emad F Aziz
The electronic structure of the [Co(CN)6](3-) complex dissolved in water is studied using X-ray spectroscopy techniques. By combining electron and photon detection methods from the solutions ionized or excited by soft X-rays we experimentally identify chemical bonding between the metal center and the CN ligand. Non-resonant photoelectron spectroscopy provides solute electron binding energies, and nitrogen 1 s and cobalt 2p resonant core-level photoelectron spectroscopy identifies overlap between metal and ligand orbitals...
January 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28080045/crystal-engineering-of-hand-twisted-helical-crystals
#16
Subhankar Saha, Gautam R Desiraju
A strategy is outlined for the design of hand-twisted helical crystals. The starting point in the exercise is the one-dimensional (1D) plastic crystal, 1,4-dibromobenzene, which is then changed to a 1D elastic crystal, exemplified by 4-bromophenyl 4'-chlorobenzoate, by introduction of a molecular synthon -O-CO- in lieu of the supramolecular synthon Br···Br in the precursor. The 1D elastic crystals are next modified to two-dimensional (2D) elastic crystals, of the type 4-bromophenyl 4'-nitrobenzoate where the halogen bonding and C-H···O hydrogen bonding are well-matched...
January 27, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28068540/evidence-for-negative-charge-near-large-area-supported-graphene-in-water-a-study-of-silica-microsphere-interactions
#17
Aaron W Chen, Bing Fang, Hyunbok Lee, Alejandro L Briseno, Maria M Santore
This study addresses the electrostatic and van der Waals interactions at the aqueous interface of large area CVD graphene, 1-3 layers thick on a silica support and assessed by Raman spectroscopy to have exclusive sp2 character. Ionic strength was found to substantially alter the interactions of silica microspheres with silica-supported graphene. Particles were nonadhesive at large Debye lengths but became irreversibly adherent at reduced Debye lengths about 2nm or less. This was demonstrated to be qualitatively parallel to the influence of ionic strength on silica-silica interactions...
April 15, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28026964/new-class-of-3d-topological-insulator-in-double-perovskite
#18
Shu-Ting Pi, Hui Wang, Jeongwoo Kim, Ruqian Wu, Yin-Kuo Wang, Chi-Ken Lu
We predict a new class of 3D topological insulators (TIs) in which the spin-orbit coupling (SOC) can more effectively generate band gap. Band gap of conventional TI is mainly limited by two factors, the strength of SOC and, from electronic structure perspective, the band gap when SOC is absent. While the former is an atomic property, the latter can be minimized in a generic rock-salt lattice model in which a stable crossing of bands at the Fermi level along with band character inversion occurs in the absence of SOC...
January 19, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28025300/linking-scales-in-sea-ice-mechanics
#19
Jérôme Weiss, Véronique Dansereau
Mechanics plays a key role in the evolution of the sea ice cover through its control on drift, on momentum and thermal energy exchanges between the polar oceans and the atmosphere along cracks and faults, and on ice thickness distribution through opening and ridging processes. At the local scale, a significant variability of the mechanical strength is associated with the microstructural heterogeneity of saline ice, however characterized by a small correlation length, below the ice thickness scale. Conversely, the sea ice mechanical fields (velocity, strain and stress) are characterized by long-ranged (more than 1000 km) and long-lasting (approx...
February 13, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28024094/effect-on-surface-character-and-mechanical-property-of-unsintered-hydroxyapatite-poly-l-lactic-acid-uha-plla-material-by-uv-treatment
#20
Akinori Moroi, Masaki Okuno, Go Kobayashi, Hitoshi Gamo, Izumi Serizawa, Kunio Yoshizawa, Hiroumi Ikawa, Koichiro Ueki
Materials fabricated with unsintered hydroxyapatite/poly-l-lactic acid (uHA/PLLA) exhibit biological activity and biocompatibility, but are also hydrophobic. This hydrophobicity limits the ability of cells or tissues to adhere to the surface of the material and thereby prevents the materials from exhibiting effective biological activity. In this study, we examined the effects of ultraviolet (UV) treatment on the hydrophobicity of uHA/PLLA. We compared the contact angle, mechanical strength, cell attachment, and cell differentiation capacity between untreated uHA/PLLA and uHA/PLLA treated with UV light...
December 26, 2016: Journal of Biomedical Materials Research. Part B, Applied Biomaterials
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