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https://www.readbyqxmd.com/read/28635283/piezoresistive-effect-in-the-fe-htrz-2-trz-bf4-spin-crossover-complex
#1
Andrei Diaconu, Simona-Lacramioara Lupu, Ionela Rusu, Ioan-Marian Risca, Lionel Salmon, Gabor Molnár, Azzedine Bousseksou, Philippe Demont, Aurelian Rotaru
We report on the effect of hydrostatic pressure on the electrical conductivity and dielectric permittivity of the [Fe(Htrz)2(trz)](BF4) (Htrz = 1H-1,2,4, triazole) spin crossover complex. Variable temperature and pressure broadband imped-ance spectrometry revealed a piezo-resistive effect of more than one order of magnitude for pressures as low as 500 bar, associated with a large pressure-induced hysteresis of 1700 bar. The origin of the piezo-resistive effect has been attributed to the pressure induced spin-state switching in the complex and the associated P,T phase diagram was determined...
June 21, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28635122/sketching-the-invisible-to-predict-the-visible-from-drawing-to-modeling-in-chemistry
#2
Melanie M Cooper, Mike Stieff, Dane DeSutter
Sketching as a scientific practice goes beyond the simple act of inscribing diagrams onto paper. Scientists produce a wide range of representations through sketching, as it is tightly coupled to model-based reasoning. Chemists in particular make extensive use of sketches to reason about chemical phenomena and to communicate their ideas. However, the chemical sciences have a unique problem in that chemists deal with the unseen world of the atomic-molecular level. Using sketches, chemists strive to develop causal mechanisms that emerge from the structure and behavior of molecular-level entities, to explain observations of the macroscopic visible world...
June 21, 2017: Topics in Cognitive Science
https://www.readbyqxmd.com/read/28632141/phase-transitions-of-the-dimerized-kane-mele-model-with-without-the-strong-interaction
#3
Tao Du, Yue-Xun Li, Yan Li, He-Lin Lu, Hui Zhang
The dimerized Kane-Mele model with/without the strong interaction is studied using analytical methods. The boundary of the topological phase transition of the model without strong interaction is obtained. Our results show that the occurrence of the transition only depends on dimerized parameter α . From the one-particle spectrum, we obtain the completed phase diagram including the quantum spin Hall (QSH) state and the topologically trivial insulator. Then, using different mean-field methods, we investigate the Mott transition and the magnetic transition of the strongly correlated dimerized Kane-Mele model...
June 20, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28631837/transcriptional-and-histological-alterations-in-gonad-of-adult-zebrafish-after-exposure-to-the-synthetic-progestin-norgestrel
#4
Wen-Jun Shi, Jian-Liang Zhao, Yu-Xia Jiang, Guo-Yong Huang, You-Sheng Liu, Jin-Na Zhang, Guang-Guo Ying
The aim of this study was to investigate the effects of Norgestrel (NGT) on the gonadal development in adult zebrafish. Adult zebrafish were exposed to NGT for 14 days at 871 ng L(-1) for microarray analysis, and a follow-up experiment was conducted to further study targeted pathway in adult zebrafish after exposure to NGT at 6.7 ng L(-1) , 83 ng L(-1) and 912 ng L(-1) by quantitative PCR (qPCR) and histology analysis. The microarray analysis revealed that 11545 transcripts were identified. Gene ontology analysis showed organ development, system development, multicellular organismal development, single-organism developmental process and developmental process were significantly enriched...
June 20, 2017: Environmental Toxicology and Chemistry
https://www.readbyqxmd.com/read/28631801/morphology-of-elastic-nematic-liquid-crystal-membranes
#5
Pardis Rofouie, Damiano Pasini, Alejandro D Rey
Liquid crystalline phases found in many biological materials, such as actin, DNA, cellulose, and collagen can be responsible for the deformation of cell membranes. In this paper, cell membrane deformation is investigated through the coupling between liquid crystal anisotropy and membrane bending elasticity. The generalized shape equation for anisotropic interfaces, which resort to the Cahn-Hoffman capillarity vector, the Rapini-Papoular anchoring energy, and the Helfrich elastic energy, is applied to gain insight into the deformation of closed liquid crystal membranes...
June 20, 2017: Soft Matter
https://www.readbyqxmd.com/read/28631283/assessing-causal-effects-of-early-life-course-factors-on-early-childhood-caries-in-5-year-old-ugandan-children-using-directed-acyclic-graphs-dags-a-prospective-cohort-study
#6
Nancy Birungi, Lars T Fadnes, Arabat Kasangaki, Victoria Nankabirwa, Isaac Okullo, Stein A Lie, James K Tumwine, Anne N Åstrøm
OBJECTIVE: To estimate the effect of distal and proximal early life-course factors on early childhood caries (ECC) in 5-year-old Ugandan children, particularly focusing on the causal effect of exclusive breast feeding (EBF) on ECC using directed acyclic graphs (DAGs) for confounder selection. METHODS: This study had a nested prospective cohort design, focusing on 5 years of follow-ups of caregiver-children pairs from the PROMISE-EBF trial (ClinicalTrials.gov no: NCT00397150) conducted in 2011 in Eastern Uganda...
June 20, 2017: Community Dentistry and Oral Epidemiology
https://www.readbyqxmd.com/read/28630928/novel-phase-diagram-behavior-and-materials-design-in-heterostructural-semiconductor-alloys
#7
Aaron M Holder, Sebastian Siol, Paul F Ndione, Haowei Peng, Ann M Deml, Bethany E Matthews, Laura T Schelhas, Michael F Toney, Roy G Gordon, William Tumas, John D Perkins, David S Ginley, Brian P Gorman, Janet Tate, Andriy Zakutayev, Stephan Lany
Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys...
June 2017: Science Advances
https://www.readbyqxmd.com/read/28630680/purely-entropic-self-assembly-of-the-bicontinuous-ia3d-gyroid-phase-in-equilibrium-hard-pear-systems
#8
Philipp W A Schönhöfer, Laurence J Ellison, Matthieu Marechal, Douglas J Cleaver, Gerd E Schröder-Turk
We investigate a model of hard pear-shaped particles which forms the bicontinuous Ia[Formula: see text]d structure by entropic self-assembly, extending the previous observations of Barmes et al. (2003 Phys. Rev. E68, 021708. (doi:10.1103/PhysRevE.68.021708)) and Ellison et al. (2006 Phys. Rev. Lett.97, 237801. (doi:10.1103/PhysRevLett.97.237801)). We specifically provide the complete phase diagram of this system, with global density and particle shape as the two variable parameters, incorporating the gyroid phase as well as disordered isotropic, smectic and nematic phases...
August 6, 2017: Interface Focus
https://www.readbyqxmd.com/read/28630675/how-geometric-frustration-shapes-twisted-fibres-inside-and-out-competing-morphologies-of-chiral-filament-assembly
#9
Douglas M Hall, Gregory M Grason
Chirality frustrates and shapes the assembly of flexible filaments in rope-like, twisted bundles and fibres by introducing gradients of both filament shape (i.e. curvature) and packing throughout the structure. Previous models of chiral filament bundle formation have shown that this frustration gives rise to several distinct morphological responses, including self-limiting bundle widths, anisotropic domain (tape-like) formation and topological defects in the lateral inter-filament order. In this paper, we employ a combination of continuum elasticity theory and discrete filament bundle simulations to explore how these distinct morphological responses compete in the broader phase diagram of chiral filament assembly...
August 6, 2017: Interface Focus
https://www.readbyqxmd.com/read/28630434/metallicity-in-a-holstein-hubbard-chain-at-half-filling-with-gaussian-anharmonicity
#10
Ch Uma Lavanya, I V Sankar, Ashok Chatterjee
The Holstein-Hubbard model with Gaussian phonon anharmonicity is studied in one-dimension at half filling using a variational method based on a series of canonical transformations. A fairly accurate phonon state is chosen to average the transformed Holstein-Hubbard Hamiltonian to obtain an effective Hubbard model which is then solved using the exact Bethe - ansatz following Lieb and Wu to obtain the ground state energy, the average lattice displacement and the renormalized parameters. The Mott-Hubbard criterion, local spin moment and the von Neumann entropy (which is a measure of quantum entanglement) are calculated to determine the ground state phase diagram which shows that the width of the metallic phase flanked by the SDW and CDW phases increases with increasing anharmonicity at low and moderate values of anharmonicity but eventually saturates when the anharmonicity becomes substantially large...
June 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28630034/fall-prevention-self-assessments-via-mobile-3d-visualization-technologies-community-dwelling-older-adults-perceptions-of-opportunities-and-challenges
#11
Julian Hamm, Arthur Money, Anita Atwal
BACKGROUND: In the field of occupational therapy, the assistive equipment provision process (AEPP) is a prominent preventive strategy used to promote independent living and to identify and alleviate fall risk factors via the provision of assistive equipment within the home environment. Current practice involves the use of paper-based forms that include 2D measurement guidance diagrams that aim to communicate the precise points and dimensions that must be measured in order to make AEPP assessments...
June 19, 2017: JMIR Human Factors
https://www.readbyqxmd.com/read/28629978/dual-roles-of-tpgs-based-microemulsion-for-tacrolimus-enhancing-the-percutaneous-delivery-and-anti-psoriatic-efficacy
#12
Tao WanJingtong Pan, Yueming Long, Kaiyue Yu, Yixuan Wang, Wenhui Pan, Wenyi Ruan, Mengyao Qin, Chuanbin Wu, Yuehong Xu
In this study, we demonstrate for the first time the dual roles of Tocopheryl Polyethylene Glycol 1000 Succinate (TPGS) based microemulsion (ME) for tacrolimus (TAC) to enhance TAC percutaneous delivery and anti-psoriatic efficacy. The ME formulation was developed and optimized based on pseudo-ternary phase diagrams combined with in vitro permeation. The result of Fourier transform infrared spectroscopy (FTIR) demonstrated that TAC was completely solubilized in the TPGS-ME. In vitro permeation studies showed that TPGS-ME enhanced TAC permeation through and into the skin, and the enhanced deposition of TAC in the normal or psoriatic skin was further confirmed in vivo...
June 16, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28628836/an-affinity-based-aqueous-two-phase-mixed-micellar-system-and-its-purification-of-yeast-3-5-bisphosphate-nucleotidase
#13
Yao Liu, Mei-Hao Sun, Shi-Kuan Shao, Gang Deng
Aqueous two-phase micellar system (ATPMS), as an alternative liquid-liquid extraction technique, has been extensively exploited for the precise separation or large-scale concentration of biomolecules. In this article, a novel affinity-based ATPMS composed of mixed micelles was constructed by introducing a Copper-chelated Triton X-114 (TX-Cu(II)) into an aqueous solution of hydrophobically modified ethylene oxide polymer (HM-EO). Phase diagram of the HM-EO/TX-Cu(II) system was measured, and the partitioning behavior of model proteins (YND, BSA, lysozyme) were studied by using this new system...
May 30, 2017: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
https://www.readbyqxmd.com/read/28628167/a-theoretical-study-on-the-morphological-phase-diagram-of-supported-lipid-bilayers
#14
Xian Kong, Diannan Lu, Jianzhong Wu, Zheng Liu
Supported lipid bilayers (SLBs) have been widely used in drug delivery, biosensors and biomimetic membranes. The microscopic mechanism of SLB formation and stability depends on a number of factors underlying solvent-mediated lipid-lipid and lipid-substrate interactions. Whereas recent years have witnessed remarkable progress in understanding the kinetics of SLB formation, relatively little is known about the lipid phase behavior controlling the SLB stability under diverse solution conditions. In this work, we examine the structure of SLBs using classical density functional theory (CDFT) in the context of a coarse-grained model that accounts for ion-explicit electrostatic interactions, surface hydrophobicity, as well as the molecular characteristics of the lipid tails...
June 19, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28624086/rh-temperature-phase-diagrams-of-hydrate-forming-deliquescent-crystalline-ingredients
#15
Matthew Allan, Lisa J Mauer
Several common deliquescent crystalline food ingredients (including glucose and citric acid) are capable of forming crystal hydrate structures. The propensity of such crystals to hydrate/dehydrate or deliquesce is dependent on the environmental temperature and relative humidity (RH). As an anhydrous crystal converts to a crystal hydrate, water molecules internalize into the crystal structure resulting in different physical properties. Deliquescence is a solid-to-solution phase transformation. RH-temperature phase diagrams of the food ingredients alpha-d-glucose and citric acid, along with sodium sulfate, were produced using established and newly developed methods...
December 1, 2017: Food Chemistry
https://www.readbyqxmd.com/read/28623664/mechanosensory-neurons-control-the-timing-of-spinal-microcircuit-selection-during-locomotion
#16
Claire Wyart, Steven Knafo, Kevin Fidelin, Andrew Prendergast, Po-En Brian Tseng, Alexandre Parrin, Charles William Dickey, Urs Lucas Böhm, Sophie Nunes FIgueiredo, Olivier Thouvenin, Hugues Pascal-Moussellard
Despite numerous physiological studies about reflexes in the spinal cord, the contribution of mechanosensory feedback to active locomotion and the nature of underlying spinal circuits remains elusive. Here we investigate how mechanosensory feedback shapes active locomotion in a genetic model organism exhibiting simple locomotion-the zebrafish larva. We show that mechanosensory feedback enhances the recruitment of motor pools during active locomotion. Furthermore, we demonstrate that inputs from mechanosensory neurons increase locomotor speed by prolonging fast swimming at the expense of slow swimming during stereotyped acoustic escape responses...
June 17, 2017: ELife
https://www.readbyqxmd.com/read/28623333/relation-between-the-co-o-bond-lengths-and-the-spin-state-of-co-in-layered-cobaltates-a-high-pressure-study
#17
Yi-Ying Chin, Hong-Ji Lin, Zhiwei Hu, Chang-Yang Kuo, Daria Mikhailova, Jenn-Min Lee, Shu-Chih Haw, Shin-An Chen, Walter Schnelle, Hirofumi Ishii, Nozomu Hiraoka, Yen-Fa Liao, Ku-Ding Tsuei, Arata Tanaka, Liu Hao Tjeng, Chien-Te Chen, Jin-Ming Chen
The pressure-response of the Co-O bond lengths and the spin state of Co ions in a hybrid 3d-5d solid-state oxide Sr2Co0.5Ir0.5O4 with a layered K2NiF4-type structure was studied by using hard X-ray absorption and emission spectroscopies. The Co-K and the Ir-L 3 X-ray absorption spectra demonstrate that the Ir(5+) and the Co(3+) valence states at ambient conditions are not affected by pressure. The Co Kβ emission spectra, on the other hand, revealed a gradual spin state transition of Co(3+) ions from a high-spin (S = 2) state at ambient pressure to a complete low-spin state (S = 0) at 40 GPa without crossing the intermediate spin state (S = 1)...
June 16, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28622657/patterns-of-multimorbidity-in-people-with-severe-or-profound-intellectual-and-motor-disabilities
#18
E A van Timmeren, A Waninge, H M J van Schrojenstein Lantman-de, A A J van der Putten, C P van der Schans
BACKGROUND: People with severe or profound intellectual and motor disabilities (SPIMD) experience multimorbidity and have complex health needs. Multimorbidity increases mortality, decreases functioning, and negatively influences quality of life. Information regarding patterns of multimorbidity in people with SPIMD may lead to proactive prevention, specifically detection and treatment of physical health problems at an early stage and prevention of secondary complications. AIM: The aim of this study was to explore patterns of multimorbidity in individuals with SPIMD...
June 13, 2017: Research in Developmental Disabilities
https://www.readbyqxmd.com/read/28622564/visible-light-photocatalytic-performance-and-mechanism-of-highly-efficient-sns-bioi-heterojunction
#19
Saranya Juntrapirom, Doldet Tantraviwat, Sarunya Suntalelat, Oraphan Thongsook, Sukon Phanichphant, Burapat Inceesungvorn
Novel SnS/BiOI heterostructures with excellent photocatalytic degradation of methyl orange were successfully prepared by a facile hydrothermal-coprecipitation method. The maximum methyl orange degradation activity under visible light irradiation (λ>400nm) was found for 10wt% SnS/BiOI. The composite also showed better stability and good recyclability compared to BiOI. The energy band diagram and band offsets from X-ray photoelectron spectroscopy investigation indicated that the novel composite was a type-II heterojunction where the photogenerated electron-hole can be efficiently separated and transferred...
June 7, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28622472/describing-a-strongly-correlated-model-system-with-density-functional-theory
#20
Jing Kong, Emil Proynov, Jianguo Yu, Ruth Pachter
The linear chain of hydrogen atoms, a basic prototype for the transition from metal to Mott insulator, is studied with a recent density functional theory model functional for nondynamic and strong correlation. The computed cohesive energy curve for the transition agrees well with accurate literature results. The variation of the electronic structure in this transition is characterized with a density-functional descriptor that yields atomic population of effectively localized electrons. These new methods are also applied to the study of the Peierls dimerization of the stretched even-spaced Mott insulator to a chain of H2 molecules, a different insulator...
June 16, 2017: Journal of Physical Chemistry Letters
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