bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pressure-Driven Spin Crossover Involving Polyhedral Transformation in Layered Perovskite Cobalt Oxyfluoride
Authors: Tsujimoto Yoshihiro , Nakano Satoshi , Ishimatsu Naoki , Mizumaki Masaichiro , Kawamura Naomi , Kawakami Takateru , Matsushita Yoshitaka , Yamaura Kazunari 
Published: November 2016

AbstractWe report a novel pressure-driven spin crossover in layered cobalt oxyfluoride Sr2CoO3F with a distorted CoO5square pyramid loosely bound with a fluoride ion. Upon increasing pressure, the spin state of the Co(III) cation gradually changes from a high spin state (S = 2) to a low spin state (S = 0) accompanied by a anomalously large volume contraction (bulk modulus, 76.8(5) GPa). The spin state change occurs on the CoO5pyramid in a wide pressure range, but the concomitant gradual shrinkage of the Co–F bond length with pressure gives rise to a polyhedral transformation to the CoO5F octahedron without a structural phase transition, leading to the full conversion to the LS state at 12 GPa. The present results provide new effective strategy to fine-tune electronic properties of mixed anion systems by controlling the covalency in metal-ligand bonds under pressure.
Distinct sets of locomotor modules control the speed and modes of human locomotion
Authors: Yokoyama Hikaru , Ogawa Tetsuya , Kawashima Noritaka , Shinya Masahiro , Nakazawa Kimitaka 
Published: November 2016

AbstractAlthough recent vertebrate studies have revealed that different spinal networks are recruited in locomotor mode- and speed-dependent manners, it is unknown whether humans share similar neural mechanisms. Here, we tested whether speed- and mode-dependence in the recruitment of human locomotor networks exists or not by statistically extracting locomotor networks. From electromyographic activity during walking and running over a wide speed range, locomotor modules generating basic patterns of muscle activities were extracted using non-negative matrix factorization. The results showed that the number of modules changed depending on the modes and speeds. Different combinations of modules were extracted during walking and running, and at different speeds even during the same locomotor mode. These results strongly suggest that, in humans, different spinal locomotor networks are recruited while walking and running, and even in the same locomotor mode different networks are probably recruited at different speeds.
Pollutant-induced cell death and reactive oxygen species accumulation in the aerial roots of Chinese banyan (Ficus microcarpa)
Authors: Liu Nan , Cao Ce , Sun Zhongyu , Lin Zhifang , Deng Rufang 
Published: November 2016

AbstractIndustrial pollutants induce the production of toxic reactive oxygen species (ROS) such as O2.−, H2O2, and ·OH in plants, but they have not been well quantified or localized in tissues and cells. This study evaluated the pollutant- (HSO3−, NH4NO3, Al3+, Zn2+, and Fe2+) induced toxic effects of ROS on the aerial roots of Chinese banyan (Ficus microcarpa). Root cell viability was greatly reduced by treatment with 20 mM NaHSO3, 20 mM NH4NO3, 0.2 mM AlCl3, 0.2 mM ZnSO4, or 0.2 mM FeSO4. Biochemical assay and histochemical localization showed that O2.− accumulated in roots in response to pollutants, except that the staining of O2.− under NaHSO3 treatment was not detective. Cytochemical localization further indicated that the generated O2.− was present mainly in the root cortex, and pith cells, especially in NH4NO3- and FeSO4-treated roots. The pollutants also caused greatly accumulated H2O2 and ·OH in aerial roots, which finally resulted in lipid peroxidation as indicated by increased malondialdehyde contents. We conclude that the F. microcarpa aerial roots are sensitive to pollutant-induced ROS and that the histochemical localization of O2.− via nitrotetrazolium blue chloride staining is not effective for detecting the effects of HSO3− treatment because of the treatment’s bleaching effect.
Elaborately Tuning Intramolecular Electron Transfer Through Varying Oligoacene Linkers in the Bis(diarylamino) Systems
Authors: Zhang Jing , Chen Zhao , Yang Lan , Pan Fang-Fang , Yu Guang-Ao , Yin Jun , Liu Sheng Hua 
Published: November 2016

AbstractThe research efforts on oligoacene systems are still relatively limited mainly due to the synthetic challenge and the extreme instability of longer acenes. Herein, these two issues have been overcome through elaborative modification and the stable pentacene species has been successfully synthesized. Additionally, a series of bis(diarylamino) compounds linked by variable-length oligoacene bridges ranging from one to five fused rings (benzene (1a), naphthalene (1b), anthracene (1c), tetracene (1d) and pentacene (1e)) have been prepared to probe the effect of the extent of π-conjugation on the electron transfer properties. Compound 1c exhibits a high planarity between the anthracyl bridge and the two nitrogen cores and the molecular packing shows a two-dimensional herringbone characteristic. Combined studies based on electrochemistry and spectroelectrochemistry demonstrate that (i) the electronic coupling across the oligoacene linkers between two diarylamine termini exponentially decrease with a moderate attenuation constant (β) of 0.14 Å−1 in these length-modulated systems and (ii) the associated radical cations [1a]+–[1e]+ are classified as the class II Robin–Day mixed-valence systems. Furthermore, density functional theory (DFT) calculations have been conducted to gain insight into the nature of electron transfer processes in these oligoacene systems.
Hexafluoroisopropyl alcohol mediated synthesis of 2,3-dihydro-4H-pyrido[1,2-a]pyrimidin-4-ones
Authors: Alam Mohammad A. , Alsharif Zakeyah , Alkhattabi Hessa , Jones Derika , Delancey Evan , Gottsponer Adam , Yang Tianhong 
Published: November 2016

AbstractAn efficient synthesis of novel 2,3-dihydro-4H-pyrido[1,2-a]pyrimidin-4-ones has been reported. Inexpensive and readily available substrates, environmentally benign reaction condition, and product formation up to quantitative yield are the key features of this methodology. Products are formed by the aza-Michael addition followed by intramolecular acyl substitution in a domino process. The polar nature and strong hydrogen bond donor capability of 1,1,1,3,3,3-hexafluoropropan-2-ol is pivotal in this cascade protocol.
Rapid gamma oscillations in the inferior occipital gyrus in response to eyes
Authors: Sato Wataru , Kochiyama Takanori , Uono Shota , Matsuda Kazumi , Usui Keiko , Usui Naotaka , Inoue Yushi , Toichi Motomi 
Published: November 2016

AbstractEyes are an indispensable communication medium for human social interactions. Although previous neuroscientific evidence suggests the activation of the inferior occipital gyrus (IOG) during eye processing, the temporal profile of this activation remains unclear. To investigate this issue, we analyzed intracranial electroencephalograms of the IOG during the presentation of eyes and mosaics, in either averted or straight directions. Time–frequency statistical parametric mapping analyses revealed greater gamma-band activation in the right IOG beginning at 114 ms in response to eyes relative to mosaics, irrespective of their averted or straight direction. These results suggest that gamma oscillations in the right IOG are involved in the early stages of eye processing, such as eye detection.
Demonstration of Temperature Dependent Energy Migration in Dual-Mode YVO4: Ho3+/Yb3+ Nanocrystals for Low Temperature Thermometry
Authors: Kumar Mahata Manoj , Koppe Tristan , Kumar Kaushal , Hofsäss Hans , Vetter Ulrich 
Published: November 2016

AbstractA dual mode rare-earth based vanadate material (YVO4: Ho3+/Yb3+), prepared through ethylene glycol assisted hydrothermal method, demonstrating both downconversion and upconversion, along with systematic investigation of the luminescence spectroscopy within 12–300 K is presented herein. The energy transfer processes have been explored via steady-state and time-resolved spectroscopic measurements and explained in terms of rate equation description and temporal evolution below room temperature. The maximum time for energy migration from host to rare earth (Ho3+) increases (0.157 μs to 0.514 μs) with the material’s temperature decreasing from 300 K to 12 K. The mechanism responsible for variation of the transients’ character is discussed through thermalization and non-radiative transitions in the system. More significantly, the temperature of the nanocrystals was determined using not only the thermally equilibrated radiative intra-4f transitions of Ho3+ but also the decay time and rise time of vanadate and Ho3+ energy levels. Our studies show that the material is highly suitable for temperature sensing below room temperature. The maximum relative sensor sensitivity using the rise time of Ho3+ energy level (5F4/5S2) is 1.35% K−1, which is the highest among the known sensitivities for luminescence based thermal probes.
Harmine Induces Adipocyte Thermogenesis through RAC1-MEK-ERK-CHD4 Axis
Authors: Nie Tao , Hui Xiaoyan , Mao Liufeng , Nie Baoming , Li Kuai , Sun Wei , Gao Xuefei , Tang Xiaofeng , Xu Yong , Jiang Baishan , Tu Zhengcao , Li Peng , Ding Ke , Han Weiping , Zhang Shaoping , Xu Aimin , Ding Sheng , Liu Pentao , Patterson Adam , Cooper Garth , Wu Donghai 
Published: November 2016

AbstractHarmine is a natural compound possessing insulin-sensitizing effect in db/db diabetic mice. However its effect on adipose tissue browning is unknown. Here we reveal that harmine antagonizes high fat diet-induced adiposity. Harmine-treated mice gained less weight on a high fat diet and displayed increased energy expenditure and adipose tissue thermogenesis. In vitro, harmine potently induced the expression of thermogenic genes in both brown and white adipocytes, which was largely abolished by inhibition of RAC1/MEK/ERK pathway. Post-transcriptional modification analysis revealed that chromodomain helicase DNA binding protein 4 (CHD4) is a potential downstream target of harmine-mediated ERK activation. CHD4 directly binds the proximal promoter region of Ucp1, which is displaced upon treatment of harmine, thereby serving as a negative modulator of Ucp1. Thus, here we reveal a new application of harmine in combating obesity via this off-target effect in adipocytes.
Tooth demineralization and associated factors in patients on fixed orthodontic treatment
Authors: Salmerón-Valdés Elías Nahúm , Lara-Carrillo Edith , Medina-Solís Carlo Eduardo , Robles-Bermeo Norma Leticia , Scougall-Vilchis Rogelio José , Casanova-Rosado Juan Fernando , Pontigo-Loyola América Patricia , Fernández Barrera Miguel Ángel 
Published: November 2016

AbstractDental demineralization was determined in patients at three time points during fixed orthodontic treatment. A multiple cross-sectional study included 108 patients divided into three different groups: (1) beginning of orthodontic treatment; (2) one year into treatment; and (3) two years into treatment. Demineralization was estimated using a DIAGNOdent pen. We obtained data from multiple tooth-by-tooth demineralization readings combined with salivary pH and patients’ oral hygienic and dietary behaviors. A t-test for independent samples and Spearman´s correlation were performed. No demineralizations differences were found between the initial stage and one year into treatment. Between one and two years small differences were observed, but demineralization increased between the initial stage and second treatment year, predominating in upper right central incisors (p = 0.056), upper left lateral incisors (p = 0.040), both upper canines (p = 0.055 and p = 0.040, respectively) and first left premolars (p = 0.034 and p = 0.053, respectively). We did not find associations between oral hygiene and dietary behaviours or salivary pH. In conclusion, demineralization occurred in first year of treatment and increased during second year, predominating in the upper arch and the left side mainly in upper right central incisors, upper left lateral incisors, both upper canines, and first left premolars.
Determination of the band parameters of bulk 2H-MX2 (M = Mo, W; X = S, Se) by angle-resolved photoemission spectroscopy
Authors: Kim Beom Seo , Rhim Jun-Won , Kim Beomyoung , Kim Changyoung , Park Seung Ryong 
Published: November 2016

AbstractMonolayer MX2 (M = Mo, W; X = S, Se) has recently been drawn much attention due to their application possibility as well as the novel valley physics. On the other hand, it is also important to understand the electronic structures of bulk MX2 for material applications since it is very challenging to grow large size uniform and sustainable monolayer MX2. We performed angle-resolved photoemission spectroscopy and tight binding calculations to investigate the electronic structures of bulk 2H-MX2. We could extract all the important electronic band parameters for bulk 2H-MX2, including the band gap, direct band gap size at K (-K) point and spin splitting size. Upon comparing the parameters for bulk 2H-MX2 (our work) with mono- and multi-layer MX2 (published), we found that stacked layers, substrates for thin films, and carrier concentration significantly affect the parameters, especially the band gap size. The origin of such effect is discussed in terms of the screening effect.
Intraepithelial dendritic cells and sensory nerves are structurally associated and functional interdependent in the cornea
Authors: Gao Nan , Lee Patrick , Yu Fu-Shin 
Published: November 2016

AbstractThe corneal epithelium consists of stratified epithelial cells, sparsely interspersed with dendritic cells (DCs) and a dense layer of sensory axons. We sought to assess the structural and functional correlation of DCs and sensory nerves. Two morphologically different DCs, dendriform and round-shaped, were detected in the corneal epithelium. The dendriform DCs were located at the sub-basal space where the nerve plexus resides, with DC dendrites crossing several nerve endings. The round-shaped DCs were closely associated with nerve fiber branching points, penetrating the basement membrane and reaching into the stroma. Phenotypically, the round-shaped DCs were CD86 positive. Trigeminal denervation resulted in epithelial defects with or without total tarsorrhaphy, decreased tear secretion, and the loss of dendriform DCs at the ocular surface. Local DC depletion resulted in a significant decrease in corneal sensitivity, an increase in epithelial defects, and a reduced density of nerve endings at the center of the cornea. Post-wound nerve regeneration was also delayed in the DC-depleted corneas. Taken together, our data show that DCs and sensory nerves are located in close proximity. DCs may play a role in epithelium innervation by accompanying the sensory nerve fibers in crossing the basement membrane and branching into nerve endings.
AGEs Induced Autophagy Impairs Cutaneous Wound Healing via Stimulating Macrophage Polarization to M1 in Diabetes
Authors: Guo Yuanyuan , Lin Cai , Xu Peng , Wu Shan , Fu Xiujun , Xia Weidong , Yao Min 
Published: November 2016

AbstractAutophagy is essential in physiological and pathological processes, however, the role of autophagy in cutaneous wound healing and the underlying molecular mechanism remain elusive. We hypothesized that autophagy plays an important role in regulating wound healing. Here, we show that enhanced autophagy negatively impacts on normal cutaneous healing process and is related to chronic wounds as demonstrated by the increased LC3 in diabetic mice skin or patients’ chronic wounds. In addition, inhibition of autophagy by 3-MA restores delayed healing in C57BL/6 or db/db mice, demonstrating that autophagy is involved in regulating wound healing. Furthermore, we identify that macrophage is a major cell type underwent autophagy in wounds and increased autophagy induces macrophages polarization into M1 with elevated CD11c population and gene expressions of proinflammatory cytokines. To explore the mechanism underlying autophagy-impaired wound healing, we tested the role of IRF8, a regulator of autophagy, in autophagy-modulated macrophages polarization. IRF8 activation is up-regulating autophagy and M1 polarization of macrophages after AGEs (advanced glycation endproducts) treatment, blocking the IRF8 with shIRF8 inhibits autophagic activity and M1 polarization. In summary, this study elucidates that AGEs induces autophagy and modulates macrophage polarization to M1 via IRF8 activation in impairment of cutaneous wound healing.
Highly Dispersed NiO Nanoparticles Decorating graphene Nanosheets for Non-enzymatic Glucose Sensor and Biofuel Cell
Authors: Zeng Guisheng , Li Weiping , Ci Suqin , Jia Jingchun , Wen Zhenhai 
Published: November 2016

AbstractNickel oxide-decorated graphene nanosheet (NiO/GNS), as a novel non-enzymatic electrocatalyst for glucose oxidation reaction (GOR), was synthesized through a facile hydrothermal route followed by the heat treatment. The successful synthesis of NiO/GNS was characterized by a series of techniques including XRD, BET, SEM and TEM. Significantly, the NiO/GNS catalyst show excellent catalytic activity toward GOR, and was employed to develop a sensitive non-enzymatic glucose sensor. The developed glucose sensor could response to glucose in a wide range from 5 μM–4.2 mM with a low detection limit (LOD) of 5.0 μM (S/N = 3). Importantly, compared with bare NiO, the catalytic activity of NiO/GNS was much higher. The reason might be that the 2D structure of graphene could prevent the aggregation of NiO and facilitate the electron transfer at electrode interface. Moreover, the outstanding catalytic activity of NiO/GNS was further demonstrated by applying it to construct a biofuel cell using glucose as fuel, which exhibited high stability and current density.
ROS-mediated Different Homeostasis of Murine Corneal Epithelial Progenitor Cell Line under Oxidative Stress
Authors: Zhou Jing , Ge Lianping , Jia Changkai , Zheng Xiling , Cui Huixia , Zong Rongrong , Bao Xiaorui , Yin Yuanyuan , Ma Jian-xing , Li Wei , Liu Zuguo , Zhou Yueping 
Published: November 2016

AbstractThe role of ROS in stem cell biology has not been fully illustrated and understood. Here we compared the different responses and investigated the mechanism underlying oxidative stress induced by hydrogen peroxide (H2O2) between murine corneal epithelial progenitor cell line (TKE2) and mature murine corneal epithelial cells (MCE). TKE2 showed a different homeostasis and strong resistance to H2O2. TKE2 reduced the production of ROS, inhibited ROS generation enzyme NADPH oxidase 4 (NOX4), and increased dual specificity phosphatase 6 (DUSP6). Furthermore, TKE2 activated nuclear factor (erythroid-derived 2)-like 2 (NRF2) signaling pathway, regulated miR-125B1 and miR-29B1, and elevated levels of antioxidants glutathione S-transferase P (GSTP) and superoxide dismutases (SOD). The association with ROS of the cells was also verified by RNA interference approach and pharmacological antagonization. In addition, TKE2 enhanced the autophagy after exposure to H2O2. The novel evidence suggests that TKE2 cells have different homeostasis and strong antioxidant properties against oxidative stress via the regulation of ROS formation and pathway.
Personalized Risk Assessment in Never, Light, and Heavy Smokers in a prospective cohort in Taiwan
Authors: Wu Xifeng , Wen Chi Pang , Ye Yuanqing , Tsai MinKwang , Wen Christopher , Roth Jack A. , Pu Xia , Chow Wong-Ho , Huff Chad , Cunningham Sonia , Huang Maosheng , Wu Shuanbei , Tsao Chwen Keng , Gu Jian , Lippman Scott M. 
Published: November 2016

AbstractThe objective of this study was to develop markedly improved risk prediction models for lung cancer using a prospective cohort of 395,875 participants in Taiwan. Discriminatory accuracy was measured by generation of receiver operator curves and estimation of area under the curve (AUC). In multivariate Cox regression analysis, age, gender, smoking pack-years, family history of lung cancer, personal cancer history, BMI, lung function test, and serum biomarkers such as carcinoembryonic antigen (CEA), bilirubin, alpha fetoprotein (AFP), and c-reactive protein (CRP) were identified and included in an integrative risk prediction model. The AUC in overall population was 0.851 (95% CI = 0.840–0.862), with never smokers 0.806 (95% CI = 0.790–0.819), light smokers 0.847 (95% CI = 0.824–0.871), and heavy smokers 0.732 (95% CI = 0.708–0.752). By integrating risk factors such as family history of lung cancer, CEA and AFP for light smokers, and lung function test (Maximum Mid-Expiratory Flow, MMEF25–75%), AFP and CEA for never smokers, light and never smokers with cancer risks as high as those within heavy smokers could be identified. The risk model for heavy smokers can allow us to stratify heavy smokers into subgroups with distinct risks, which, if applied to low-dose computed tomography (LDCT) screening, may greatly reduce false positives.
Spatiotemporal order and emergent edge currents in active spinner materials
Authors: van Zuiden Benjamin C. , Paulose Jayson , Irvine William T. M. , Bartolo Denis , Vitelli Vincenzo 
Published: November 2016

Significance
Active materials are composed of building blocks individually powered by internal energy or external fields. Here, we explore the collective behavior of interacting particles with active rotations but no self-propulsion (i.e., active spinning without walking). When many such spinners are brought together, they form unique nonequilibrium steady states reminiscent of crystals, liquids, and glasses. Unlike equilibrium phases of matter, which stem from the balance between entropy and internal energy, the spinner states arise from the competition between active torques and interactions. Active spinner crystals have distinctive features: they vary periodically in time as well as space and melt under increasing pressure. Emergent unidirectional edge currents are the nonequilibrium probes of the transition between crystalline and liquid-like states in active spinner materials.
Genetic architecture of nonadditive inheritance inArabidopsis thalianahybrids
Authors: Seymour Danelle K. , Chae Eunyoung , Grimm Dominik G. , Martín Pizarro Carmen , Habring-Müller Anette , Vasseur François , Rakitsch Barbara , Borgwardt Karsten M. , Koenig Daniel , Weigel Detlef 
Published: November 2016

SignificanceHybrid progeny of inbred parents are often more fit than their parents. Such hybrid vigor, or heterosis, is the focus of many plant breeding programs, and the rewards are evident. Hybrid maize has for many decades accounted for the majority of seed planted each year in North America and Europe. Despite the prevalence of this phenomenon and its agricultural importance, the genetic basis of heterotic traits is still unclear. We have used a large collection of first-generation hybrids inArabidopsis thalianato characterize the genetics of heterosis in this model plant. We have identified loci that contribute substantially to hybrid vigor and show that a subset of these exhibits classical dominance, an important finding with direct implications for crop improvement.
A well-scaling natural orbital theory
Authors: Gebauer Ralph , Cohen Morrel H. , Car Roberto 
Published: November 2016

Significance
Computations of locations of nuclei and movement of electrons within molecules and materials are widely used in science and technology. Direct computation of a system’s wave function for that purpose becomes impractical as system size grows. Current alternative methods can have difficulty with strongly correlated electron motion or spurious electron self-interaction. By using “natural spin-orbitals” to describe the motion of individual electrons, solving for them together with their joint and individual probabilities of occurrence within the system, we are able to account better for electron correlation when strong while avoiding self-interaction and maintaining the growth of computation cost with system size at the level of Hartree–Fock theory. Our numerical results for some small test molecules are very good.