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https://www.readbyqxmd.com/read/28921972/what-can-be-learned-from-nuclear-resonance-vibrational-spectroscopy-vibrational-dynamics-and-hemes
#1
W Robert Scheidt, Jianfeng Li, J Timothy Sage
Nuclear resonance vibrational spectroscopy (NRVS; also known as nuclear inelastic scattering, NIS) is a synchrotron-based method that reveals the full spectrum of vibrational dynamics for Mössbauer nuclei. Another major advantage, in addition to its completeness (no arbitrary optical selection rules), is the unique selectivity of NRVS. The basics of this recently developed technique are first introduced with descriptions of the experimental requirements and data analysis including the details of mode assignments...
September 18, 2017: Chemical Reviews
https://www.readbyqxmd.com/read/28910078/bifacial-biomimetic-freestanding-anisotropic-catechol-interfaces-with-asymmetrically-layered-films-as-versatile-extracellular-matrix-substitutes
#2
Byung Gee Im, Minjae Do, Yoojin Kim, Mira Cho, Jae-Hyung Jang
Biological naïve extracellular matrices (ECMs) exhibit anisotropic functions in their physical, chemical, and morphological properties. Representative examples include anisotropic skin layers or blood vessels simultaneously facing multiphasic environments. Here, anisotropically multifunctional structures called BiFACIAL (biomimetic freestanding anisotropic catechol-interfaces with asymmetrically layered) films were developed simply by contacting two polysaccharide solutions of heparin-catechol (Hep-C) and chitosan-catechol (Chi-C)...
September 14, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28893274/modulation-of-the-strength-and-character-of-hiv-specific-cd8-t-cell-responses-with-heteroclitic-peptides
#3
REVIEW
Kayla A Holder, Michael D Grant
Chronic infection with human immunodeficiency virus (HIV) causes HIV-specific CD8(+) T cell dysfunction and exhaustion. The strong association between non-progression and maintenance of HIV-specific CD8(+) T cell cytokine production and proliferative capacities suggests that invigorating CD8(+) T cell immune responses would reduce viremia and slow disease progression. A series of studies have demonstrated that sequence variants of native immunogenic peptides can generate more robust CD8(+) T cell responses and that stimulation with these 'heteroclitic' peptides can steer responses away from the phenotypic and functional attributes of exhaustion acquired during chronic HIV infection...
September 12, 2017: AIDS Research and Therapy
https://www.readbyqxmd.com/read/28892392/analysis-of-the-nucleus-independent-chemical-shifts-of-10-cyclophenacene-is-it-an-aromatic-or-antiaromatic-molecule
#4
Guglielmo Monaco, Riccardo Zanasi
[10]cyclophenacene is an important synthetic target that shows a pair of NICS values for the center of mass and six-membered rings typical of an aromatic species. This is found in contrast with the global paratropic current density induced by a magnetic field parallel to the main symmetry axis. This apparent contradiction has been analyzed studying the tensor character of the magnetic response. It turns out that the molecule displays two characters: one paratropic (antiaromatic) and another one diatropic (aromatic), depending on the orientation of the inducing magnetic field...
September 11, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28891784/familiarity-speeds-up-visual-short-term-memory-consolidation-electrophysiological-evidence-from-contralateral-delay-activities
#5
Weizhen Xie, Weiwei Zhang
To test how preexisting long-term memory influences visual STM, this study takes advantage of individual differences in participants' prior familiarity with Pokémon characters and uses an ERP component, the contralateral delay activity (CDA), to assess whether observers' prior stimulus familiarity affects STM consolidation and storage capacity. In two change detection experiments, consolidation speed, as indexed by CDA fractional area latency and/or early-window (500-800 msec) amplitude, was significantly associated with individual differences in Pokémon familiarity...
September 11, 2017: Journal of Cognitive Neuroscience
https://www.readbyqxmd.com/read/28878720/cross-cultural-investigation-of-male-gait-perception-in-relation-to-physical-strength-and-speed
#6
Bernhard Fink, Marieke Wübker, Julia Ostner, Marina L Butovskaya, Anna Mezentseva, José Antonio Muñoz-Reyes, Yael Sela, Todd K Shackelford
Previous research documents that men and women can accurately judge male physical strength from gait, but also that the sexes differ in attractiveness judgments of strong and weak male walkers. Women's (but not men's) attractiveness assessments of strong male walkers are higher than for weak male walkers. Here, we extend this research to assessments of strong and weak male walkers in Chile, Germany, and Russia. Men and women judged videos of virtual characters, animated with the walk movements of motion-captured men, on strength and attractiveness...
2017: Frontiers in Psychology
https://www.readbyqxmd.com/read/28874732/observation-of-transverse-coherent-backscattering-in-disordered-photonic-structures
#7
Martin Boguslawski, Sebastian Brake, Daniel Leykam, Anton S Desyatnikov, Cornelia Denz
Coherent backscattering, also referred to as weak localization, is an exciting multidisciplinary phenomenon that appears in disordered systems of multiple coherent-wave scattering. Providing proper scattering conditions in (2 + 1) dimensional randomized photonic systems, we optically implement, observe, and analyse transverse coherent backscattering. Ensembles of disordered wave-guide structures are prepared by random-intensity nondiffracting writing entities according to the beam's intensity distribution...
September 5, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28846050/a-hierarchical-rater-model-for-longitudinal-data
#8
Jodi M Casabianca, Brian W Junker, Ricardo Nieto, Mark A Bond
Research studies in psychology and education often seek to detect changes or growth in an outcome over a duration of time. This research provides a solution to those interested in estimating latent traits from psychological measures that rely on human raters. Rater effects potentially degrade the quality of scores in constructed response and performance assessments. We develop an extension of the hierarchical rater model (HRM), which yields estimates of latent traits that have been corrected for individual rater bias and variability, for ratings that come from longitudinal designs...
August 28, 2017: Multivariate Behavioral Research
https://www.readbyqxmd.com/read/28836774/new-titanium-borylimido-compounds-synthesis-structure-and-bonding
#9
Benjamin A Clough, Simona Mellino, Andrey V Protchenko, Martin Slusarczyk, Laura C Stevenson, Matthew P Blake, Bowen Xie, Eric Clot, Philip Mountford
We report a combined experimental and computational study of the synthesis and electronic structure of titanium borylimido compounds. Three new synthetic routes to this hitherto almost unknown class of Group 4 imide are presented. The double-deprotonation reaction of the borylamine H2NB(NAr'CH)2 (Ar' = 2,6-C6H3(i)Pr2) with Ti(NMe2)2Cl2 gave Ti{NB(NAr'CH)2}Cl2(NHMe2)2, which was easily converted to Ti{NB(NAr'CH)2}Cl2(py)3. This compound is an entry point to other borylimides, for example, reacting with Li2N2(pyr)N(Me) to form Ti(N2(pyr)N(Me)){NB(NAr'CH)2}(py)2 and with 2 equiv of NaCp to give Cp2Ti{NB(NAr'CH)2}(py) (23)...
August 24, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28812075/evidence-for-coherent-mixing-of-excited-and-charge-transfer-states-in-the-major-plant-light-harvesting-antenna-lhcii
#10
Charusheela Ramanan, Marco Ferretti, Henny van Roon, Vladimir I Novoderezhkin, Rienk van Grondelle
LHCII, the major light harvesting antenna from plants, plays a dual role in photosynthesis. In low light it is a light-harvester, while in high light it is a quencher that protects the organism from photodamage. The switching mechanism between these two orthogonal conditions is mediated by protein dynamic disorder and photoprotective energy dissipation. The latter in particular is thought to occur in part via spectroscopically 'dark' states. We searched for such states in LHCII trimers from spinach, at both room temperature and at 77 K...
August 16, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28805863/spin-polynomial-similarity-transformation-for-repulsive-hamiltonians-interpolating-between-coupled-cluster-and-spin-projected-unrestricted-hartree-fock
#11
John A Gomez, Matthias Degroote, Jinmo Zhao, Yiheng Qiu, Gustavo E Scuseria
Our overarching goal is to be able to describe both weak and strong correlation with a single, computationally affordable method without sacrificing important qualities of the wavefunction, e.g. symmetries of the Hamiltonian. We know that coupled cluster theory with low-order excitations is excellent at describing weakly-correlated systems near equilibrium, but breaks down as systems become more strongly correlated. Projected Hartree-Fock on the other hand is inherently capable of describing multireference character, but misses weak correlation...
August 23, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28802843/co-concentration-effect-of-silane-with-natural-extract-on-biodegradable-polymeric-films-for-food-packaging
#12
Anbreen Bashir, Sehrish Jabeen, Nafisa Gull, Atif Islam, Misbah Sultan, Abdul Ghaffar, Shahzad Maqsood Khan, Sadia Sagar Iqbal, Tahir Jamil
Novel biodegradable films were prepared by blending guar gum, chitosan and poly (vinyl alcohol) having mint (ME) and grapefruit peel (GE) extracts and crosslinked with nontoxic tetraethoxysilane (TEOS). The co-concentration effect of TEOS with natural extracts on the films was studied. FTIR analysis confirmed the presence of incorporated components and the developed interactions among the polymer chains. The surface morphology of the films by SEM showed the hydrophilic character due to porous network structure...
August 9, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/28796945/rare-examples-of-fe-iv-alkyl-imide-migratory-insertions-impact-of-fe-c-covalency-in-me2ipr-fe-%C3%A2-nad-r2-r-neo-pe-1-nor
#13
Brian P Jacobs, Peter T Wolczanski, Quan Jiang, Thomas R Cundari, Samantha N MacMillan
The iron(IV) imide complexes, (Me2IPr)-R2Fe=NAd (R = (neo)Pe (3a), 1-nor (3b)) undergo migratory insertion to iron(II) amides (Me2IPr)RFe{NR(Ad)} (R = (neo)Pe (4a), 1-nor (4b)) without evidence of imidyl or free nitrene character. By increasing the field strength about iron, odd-electron reactivity was circumvented via increased covalency.
August 28, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28790947/the-high-five-associations-of-the-five-positive-factors-with-the-big-five-and-well-being
#14
Alejandro C Cosentino, Alejandro Castro Solano
The study of individual differences in positive characteristics has mainly focused on moral traits. The objectives of this research were to study individual differences in positive characteristics from the point of view of the layperson, including non-moral individual characteristics, and to generate a replicable model of positive factors. Three studies based on a lexical approach were conducted. The first study generated a corpus of words which resulted in a refined list of socially shared positive characteristics...
2017: Frontiers in Psychology
https://www.readbyqxmd.com/read/28772726/effects-of-heat-treated-wood-particles-on-the-physico-mechanical-properties-and-extended-creep-behavior-of-wood-recycled-hdpe-composites-using-the-time-temperature-superposition-principle
#15
Teng-Chun Yang, Yi-Chi Chien, Tung-Lin Wu, Ke-Chang Hung, Jyh-Horng Wu
This study investigated the effectiveness of heat-treated wood particles for improving the physico-mechanical properties and creep performance of wood/recycled-HDPE composites. The results reveal that the composites with heat-treated wood particles had significantly decreased moisture content, water absorption, and thickness swelling, while no improvements of the flexural properties or the wood screw holding strength were observed, except for the internal bond strength. Additionally, creep tests were conducted at a series of elevated temperatures using the time-temperature superposition principle (TTSP), and the TTSP-predicted creep compliance curves fit well with the experimental data...
March 30, 2017: Materials
https://www.readbyqxmd.com/read/28762066/zeta-potential-a-case-study-of-cationic-anionic-and-neutral-liposomes
#16
Mackensie C Smith, Rachael M Crist, Jeffrey D Clogston, Scott E McNeil
Zeta potential is often used to approximate a nanoparticle's surface charge, i.e., cationic, anionic, or neutral character, and has become a standard characterization technique to evaluate nanoparticle surfaces. While useful, zeta potential values provide only very general conclusions about surface charge character. Without a thorough understanding of the measurement parameters and limitations of the technique, these values can become meaningless. This case study attempts to explore the sensitivity of zeta potential measurement using specifically formulated cationic, anionic, and neutral liposomes...
July 31, 2017: Analytical and Bioanalytical Chemistry
https://www.readbyqxmd.com/read/28760754/reproductive-competition-and-sexual-selection
#17
REVIEW
Tim Clutton-Brock
This paper traces the development of our understanding of the development of different approaches to estimating the strength of reproductive competition and sexual selection in the two sexes, based on measures of the operational sex ratio, the opportunity for sexual selection and contrasts in selection gradients between the sexes. It argues that different approaches provide complementary insights into the causes of sex differences in reproductive competition, the operation of sexual selection and the evolution of secondary sexual characters and that improvements in our understanding of the evolution of secondary sexual characters will require a more comprehensive understanding of the ways in which social and ecological conditions modify reproductive competition and development in females and males...
September 19, 2017: Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences
https://www.readbyqxmd.com/read/28748284/a-density-functional-theory-study-on-the-hydrogen-bonding-interactions-between-luteolin-and-ethanol
#18
Yan-Zhen Zheng, Jing Xu, Qin Liang, Da-Fu Chen, Rui Guo, Zhong-Min Fu
Ethanol is one of the most commonly used solvents to extract flavonoids from propolis. Hydrogen bonding interactions play an important role in the properties of liquid system. The main objective of the work is to study the hydrogen bonding interactions between flavonoid and ethanol. Luteolin is a very common flavonoid that has been found in different geographical and botanical propolis. In this work, it was selected as the representative flavonoid to do detailed research. The study was performed from a theoretical perspective using density functional theory (DFT) method...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28745769/a-non-empirical-calculation-of-2p-core-electron-excitation-in-compounds-with-3d-transition-metal-ions-using-ligand-field-and-density-functional-theory-lfdft
#19
Harry Ramanantoanina, Claude Daul
Methodological advents for the calculation of the multiplet energy levels arising from multiple-open-shell 2p(5)3d(n+1) electron configurations, with n = 0, 1, 2,… and 9, are presented. We use the Ligand-Field Density Functional Theory (LFDFT) program, which has been recently implemented in the Amsterdam Density Functional (ADF) program package. The methodology consists of calculating the electronic structure of a central metal ion together with its ligand coordination by means of the Density Functional Theory code...
August 9, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28745381/toward-a-reverse-hierarchy-of-halogen-bonding-between-bromine-and-iodine
#20
Emmanuel Aubert, Enrique Espinosa, Irène Nicolas, Olivier Jeannin, Marc Fourmigué
We compare here the halogen bond characteristics of bimolecular adducts involving either N-bromo- or N-iodosaccharin as strong halogen bond donors, with 4-picoline as a common XB acceptor. In the NBSac·Pic system, the bromine atom of NBSac is displaced toward the picoline, almost at a median position between the two nitrogen atoms, NSac and N'Pic, with NSacBr and BrN'Pic distances at 2.073(6) and 2.098(6) Å respectively. This extreme situation contrasts with the analogous iodine derivative, NISac·Pic, where the NSac-I and IN'Pic distances amount to 2...
July 26, 2017: Faraday Discussions
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