bluuebunny/crossref_metadata_2025_split huggingface dataset:
Permanent porous hydrogen-bonded frameworks with two types of Brønsted acid sites for heterogeneous asymmetric catalysis
Authors: Gong Wei , Chu Dandan , Jiang Hong , Chen Xu , Cui Yong , Liu Yan 
Published: February 2019

AbstractThe search for porous materials with strong Brønsted acid sites for challenging reactions has long been of significant interest, but it remains a formidable synthetic challenge. Here we demonstrate a cage extension strategy to construct chiral permanent porous hydrogen-bonded frameworks with strong Brønsted acid groups for heterogeneous asymmetric catalysis. We report the synthesis of two octahedral coordination cages using enantiopure 4,4’,6,6’-tetra(benzoate) ligand of 1,1’-spirobiindane-7,7’-phosphoric acid and Ni4/Co4-p-tert-butylsulfonylcalix[4]arene clusters. Intercage hydrogen-bonds and hydrophobic interactions betweentert-butyl groups direct the hierarchical assembly of the cages into a permanent porous material. The chiral phosphoric acid-containing frameworks can be high efficient and recyclable heterogeneous Brønsted acid catalysts for asymmetric [3+2] coupling of indoles with quinone monoimine and Friedel-Crafts alkylations of indole with aryl aldimines. The afforded enantioselectivities (up to 99.9% ee) surpass those of the homogeneous counterparts and compare favorably with those of the most enantioselective homogeneous phosphoric acid catalysts reported to date.
Selection rules for all-optical magnetic recording in iron garnet
Authors: Stupakiewicz A. , Szerenos K. , Davydova M. D. , Zvezdin K. A. , Zvezdin A. K. , Kirilyuk A. , Kimel A. V. 
Published: February 2019

AbstractRapid growth of the area of ultrafast magnetism has allowed to achieve a substantial progress in all-optical magnetic recording with femtosecond laser pulses and triggered intense discussions about microscopic mechanisms responsible for this phenomenon. The typically used metallic medium nevertheless considerably limits the applications because of the unavoidable heat dissipation. In contrast, the recently demonstrated photo-magnetic recording in transparent dielectric garnet for all practical purposes is dissipation-free. This discovery raised question about selection rules, i.e. the optimal wavelength and the polarization of light, for such a recording. Here we report the computationally and experimentally identified workspace of parameters allowing photo-magnetic recording in Co-doped iron garnet using femtosecond laser pulses. The revealed selection rules indicate that the excitations responsible for the coupling of light to spins are d-d electron transitions in octahedral and tetrahedral Co-sublattices, respectively.
Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries
Authors: Ji Huiwen , Urban Alexander , Kitchaev Daniil A. , Kwon Deok-Hwang , Artrith Nongnuch , Ophus Colin , Huang Wenxuan , Cai Zijian , Shi Tan , Kim Jae Chul , Kim Haegyeom , Ceder Gerbrand 
Published: February 2019

AbstractStructure plays a vital role in determining materials properties. In lithium ion cathode materials, the crystal structure defines the dimensionality and connectivity of interstitial sites, thus determining lithium ion diffusion kinetics. In most conventional cathode materials that are well-ordered, the average structure as seen in diffraction dictates the lithium ion diffusion pathways. Here, we show that this is not the case in a class of recently discovered high-capacity lithium-excess rocksalts. An average structure picture is no longer satisfactory to understand the performance of such disordered materials. Cation short-range order, hidden in diffraction, is not only ubiquitous in these long-range disordered materials, but fully controls the local and macroscopic environments for lithium ion transport. Our discovery identifies a crucial property that has previously been overlooked and provides guidelines for designing and engineering cation-disordered cathode materials.
Combined loss of LAP1B and LAP1C results in an early onset multisystemic nuclear envelopathy
Authors: Fichtman Boris , Zagairy Fadia , Biran Nitzan , Barsheshet Yiftah , Chervinsky Elena , Ben Neriah Ziva , Shaag Avraham , Assa Michael , Elpeleg Orly , Harel Amnon , Spiegel Ronen 
Published: February 2019

AbstractNuclear envelopathies comprise a heterogeneous group of diseases caused by mutations in genes encoding nuclear envelope proteins. Mutations affecting lamina-associated polypeptide 1 (LAP1) result in two discrete phenotypes of muscular dystrophy and progressive dystonia with cerebellar atrophy. We report 7 patients presenting at birth with severe progressive neurological impairment, bilateral cataract, growth retardation and early lethality. All the patients are homozygous for a nonsense mutation in the TOR1AIP1 gene resulting in the loss of both protein isoforms LAP1B and LAP1C. Patient-derived fibroblasts exhibit changes in nuclear envelope morphology and large nuclear-spanning channels containing trapped cytoplasmic organelles. Decreased and inefficient cellular motility is also observed in these fibroblasts. Our study describes the complete absence of both major human LAP1 isoforms, underscoring their crucial role in early development and organogenesis. LAP1-associated defects may thus comprise a broad clinical spectrum depending on the availability of both isoforms in the nuclear envelope throughout life.
Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules
Authors: Pershin Anton , Hall David , Lemaur Vincent , Sancho-Garcia Juan-Carlos , Muccioli Luca , Zysman-Colman Eli , Beljonne David , Olivier Yoann 
Published: February 2019

AbstractUnlike conventional thermally activated delayed fluorescence chromophores, boron-centered azatriangulene-like molecules combine a small excited-state singlet-triplet energy gap with high oscillator strengths and minor reorganization energies. Here, using highly correlated quantum-chemical calculations, we report this is driven by short-range reorganization of the electron density taking place upon electronic excitation of these multi-resonant structures. Based on this finding, we design a series of π-extended boron- and nitrogen-doped nanographenes as promising candidates for efficient thermally activated delayed fluorescence emitters with concomitantly decreased singlet-triplet energy gaps, improved oscillator strengths and core rigidity compared to previously reported structures, permitting both emission color purity and tunability across the visible spectrum.
Intrinsic valley Hall transport in atomically thin MoS2
Authors: Wu Zefei , Zhou Benjamin T. , Cai Xiangbin , Cheung Patrick , Liu Gui-Bin , Huang Meizhen , Lin Jiangxiazi , Han Tianyi , An Liheng , Wang Yuanwei , Xu Shuigang , Long Gen , Cheng Chun , Law Kam Tuen , Zhang Fan , Wang Ning 
Published: February 2019

AbstractElectrons hopping in two-dimensional honeycomb lattices possess a valley degree of freedom in addition to charge and spin. In the absence of inversion symmetry, these systems were predicted to exhibit opposite Hall effects for electrons from different valleys. Such valley Hall effects have been achieved only by extrinsic means, such as substrate coupling, dual gating, and light illuminating. Here we report the first observation of intrinsic valley Hall transport without any extrinsic symmetry breaking in the non-centrosymmetric monolayer and trilayer MoS2, evidenced by considerable nonlocal resistance that scales cubically with local resistance. Such a hallmark survives even at room temperature with a valley diffusion length at micron scale. By contrast, no valley Hall signal is observed in the centrosymmetric bilayer MoS2. Our work elucidates the topological origin of valley Hall effects and marks a significant step towards the purely electrical control of valley degree of freedom in topological valleytronics.
First-principles-based prediction of yield strength in the RhIrPdPtNiCu high-entropy alloy
Authors: Yin Binglun , Curtin William A. 
Published: February 2019

AbstractHigh-entropy alloys are random alloys with five or more components, often near equi-composition, that often exhibit excellent mechanical properties. Guiding the design of new materials across the wide composition space requires an ability to compute necessary underlying material parameters via ab initio methods. Here, density functional theory is used to compute the elemental misfit volumes, alloy lattice constant, elastic constants, and stable stacking fault energy in the fcc noble metal RhIrPdPtNiCu. These properties are then used in a recent theory for the temperature and strain-rate dependent yield strength. The parameter-free prediction of 583 MPa is in excellent agreement with the measured value of 527 MPa. This quantitative connection between alloy composition and yield strength, without any experimental input, motivates this general density functional theory-based methodological path for exploring new potential high-strength high-entropy alloys, in this and other alloy classes, with the chemical accuracy of first-principles methods.
Identification of the molecular relationship between intravenous leiomyomatosis and uterine myoma using RNA sequencing
Authors: Zhang Xu , Wu Liangcai , Xu Rongjian , Zhu Chengpei , Ma Guotao , Zhang Chaoji , Liu Xingrong , Zhao Haitao , Miao Qi 
Published: February 2019

AbstractThe purpose of this study was to explore the potential relationship between intravenous leiomyomatosis (IVL) and uterine myoma (UM) at the molecular level. RNA-sequencing was performed on IVL tumours, UM tumours, and adjacent normal uterine muscle. We compared the gene expression levels between IVL and normal uterine muscle, UM and normal uterine muscle, to identify differentially expressed genes (DEGs). Then we used Gene Ontology Enrichment Analysis to determine the functions of the DEGs and performed specimen cluster analysis. We obtained 98 DEGs between IVL and adjacent normal uterine muscle, and 61 DEGs between UM and adjacent normal uterine muscle. Functional enrichment of both IVL and UM DEGs showed that they are associated with hormone stimulus, extracellular matrix, and cell adhesion. Unsupervised clustering analysis showed that IVL and UM could not be separated completely. Among these dysregulated genes, we found that HOXA13 showed a distinct dysregulated status between IVL and UM. HOXA13 may therefore serves as a biomarker to distinguish IVL and UM. Our results showed that IVL and UM may have similar dysregulated gene networks. They may be closely related, and HOXA13 may serves as a biomarker to distinguish between IVL and UM.
Pharmacokinetic-Pharmacodynamic Modeling for Coptisine Challenge of Inflammation in LPS-Stimulated Rats
Authors: Hu Yingfan , Wang Li , Xiang Li , Wu Jiasi , Huang Wen’ge , Xu Chensi , Meng Xianli , Wang Ping 
Published: February 2019

AbstractPro-inflammatory factors are important indicators for assessing inflammation severity and drug efficacy. Coptisine has been reported to inhibit LPS-induced TNF-α and NO production. In this study, we aim to build a pharmacokinetic-pharmacodynamic model to quantify the coptisine time course and potency of its anti-inflammatory effect in LPS-stimulated rats. The plasma and lung coptisine concentrations, plasma and lung TNF-α concentrations, plasma NO concentration, and lung iNOS expression were measured in LPS-stimulated rats after intravenous injection of three coptisine doses. The coptisine disposition kinetics were described by a two-compartment model. The coptisine distribution process from the plasma to the lung was described by first-order dynamics. The dynamics of plasma TNF-α generation and elimination followed zero-order kinetics and the Michaelis-Menten equation. A first-order kinetic model described the TNF-α diffusion process from the plasma to the lung. A precursor-pool indirect response model was used to describe the iNOS and NO generation induced by TNF-α. The inhibition rates of TNF-α production by coptisine (54.73%, 26.49%, and 13.25%) calculated from the simulation model were close to the decline rates of the plasma TNF-α AUC (57.27%, 40.33%, and 24.98%, respectively). Coptisine suppressed plasma TNF-α generation in a linear manner, resulting in a cascading reduction of iNOS and NO. The early term TNF-α response to stimulation is a key factor in the subsequent inflammatory cascade. In conclusion, this comprehensive PK-PD model provided a rational explanation for the interlocking relationship among TNF-α, iNOS and NO production triggered by LPS and a quantitative evaluation method for inhibition of TNF-α production by coptisine.
SIX1 represses senescence and promotes SOX2-mediated cellular plasticity during tumorigenesis
Authors: De Lope Cristina , Martín-Alonso Samara , Auzmendi-Iriarte Jaione , Escudero Carmen , Mulet Isabel , Larrasa-Alonso Javier , López-Antona Irene , Matheu Ander , Palmero Ignacio 
Published: February 2019

AbstractSix1 is a developmental transcriptional regulator frequently overexpressed in human tumors. Recent results show that SIX1 also acts as a repressor of cell senescence, an antiproliferative response with a key role in tumor suppression, among other physiological and pathological settings. Here, we set to study the impact of SIX1 gain of function in transformation and tumorigenesis of fibroblasts, in connection with senescence. Using transcriptomic, histological, and functional analyses in murine tumors and cells of fibroblast origin, we show that SIX1 has a strong pro-tumorigenic action in this model, linked to the repression of a senescence-related gene signature and the induction of an undifferentiated phenotype mediated, at least in part, by the regulation of the stemness factor Sox2. Moreover, functional analyses with human glioma cell lines also show that SIX1 controls SOX2 expression, senescence and self-renewal in this model. Collectively, our results support a general link of SIX1 with senescence and SOX2-mediated cell plasticity in tumors.
A statistical tool for comparing seasonal ILI surveillance data
Authors: Ferland René , Froda Sorana 
Published: February 2019

AbstractIn this paper, we consider the yearly influenza epidemic, as reflected in the seasonal surveillance data compiled by the CDC (Center for Disease Control and Prevention, USA) and we explore a new methodology for comparing specific features of these data. In particular, we focus on the ten HHS (Health and Human Services) regions, and how the incidence data evolves in these regions. In order to perform the comparisons, we consider the relative distribution of weekly new cases over one season and replace the crude data with predicted values. These predictions are obtained after fitting a negative binomial regression model that controls for important covariates. The prediction is computed on a ‘generic’ set of covariate values that takes into account the relative size (population wise) of the regions to be compared. The main results are presented in graphical form, that quickly emphasizes relevant features of the seasonal data and facilitates the comparisons.
Immunotherapeutic advances in gastrointestinal malignancies
Authors: Rao Devika , Parakrama Ruwan , Augustine Titto , Liu Qiang , Goel Sanjay , Maitra Radhashree 
Published: February 2019

AbstractCancer is an important global issue with increasing incidence and mortality, placing a substantial burden on the healthcare system. Colorectal cancer is the third most common cancer diagnosed among men and women in US. It is estimated that in 2018 there will be 319,160 new diagnosis and 160,820 deaths related to cancer of the digestive system including both genders in the United States alone. Considering limited success of chemotherapy, radiotherapy, and surgery in treatment of these cancer patients, new therapeutic avenues are under constant investigation. Therapy options have consistently moved away from typical cytotoxic chemotherapy where patients with a given type and stage of the disease were treated similarly, to an individualized approach where a tumor is defined by its specific tissue characteristics /epigenetic profile, protein expression and genetic mutations. This review takes a deeper look at the immune-biological aspects of cancers in the gastrointestinal tract (entire digestive tract extending from esophagus/stomach to rectum, including pancreatico-biliary apparatus) and discusses the different treatment modalities that are available or being developed to target the immune system for better disease outcome.
Crystal structures of human lysosomal EPDR1 reveal homology with the superfamily of bacterial lipoprotein transporters
Authors: Wei Yong , Xiong Zi Jian , Li Jun , Zou Chunxia , Cairo Christopher W. , Klassen John S. , Privé Gilbert G. 
Published: February 2019

AbstractEPDR1, a member of the ependymin-related protein family, is a relatively uncharacterized protein found in the lysosomes and secretomes of most vertebrates. Despite having roles in human disease and health, the molecular functions of EPDR1 remain unknown. Here, we present crystal structures of human EPDR1 and reveal that the protein adopts a fold previously seen only in bacterial proteins related to the LolA lipoprotein transporter. EPDR1 forms a homodimer with an overall shape resembling a half-shell with two non-overlapping hydrophobic grooves on the flat side of the hemisphere. EPDR1 can interact with membranes that contain negatively charged lipids, including BMP and GM1, and we suggest that EPDR1 may function as a lysosomal activator protein or a lipid transporter. A phylogenetic analysis reveals that the fold is more widely distributed than previously suspected, with representatives identified in all branches of cellular life.
Emphasis on switch selection and its switching loss comparison for on‐board electric vehicle charger
Authors: Srivastava Manaswi , Tomar Pavan Singh , Verma Arun Kumar 
Published: February 2019

A DC/DC converter plays a vital role in on‐board electric vehicle (EV) charger. Among the many converter topologies, the phase‐shifted full‐bridge DC/DC converter (PSFBDC) is widely used. For improved efficiency, PSFBDC is embedded with passive auxiliary networks resulting in several unique configurations for achieving soft‐switching in entire load range. The architecture of the chosen DC/DC converter configuration should comply with the society of automotive engineers (SAE) standards. Although, the conduction loss of the converter can be minimised by choosing a proper topology configuration and proper switching of the configuration, the selection of appropriate for PSFBDC plays an important role in enhancing the overall efficiency. An optimistic method for the selection of switch configuration satisfying the reduced power loss and cost‐effective aspects is presented. For demonstrating the proposed method, a 1 kW 100 kHz system with commercially available switches IRFP460, IXFN64N60P, and IPP65R045C7 is chosen and the obtained results are presented.
Monte Carlo calculations of the atmospheric sputtering yields on Titan
Authors: Gu H. , Cui J. , Niu D.-D. , Wellbrock A. , Tseng W.-L. , Xu X.-J. 
Published: February 2019

Context. Sputtering serves as an important mechanism of atmospheric escape in the solar system.
Aims. This study is devoted to atmospheric sputtering on Titan, with a special focus on how the N2 and CH4 sputtering yields respond to varying ion incidence energy and angle, and varying ion mass.
Methods. A Monte Carlo model was constructed to track the energy degradation of incident ions and atmospheric recoils from which the sputtering yields were obtained. A large number of model runs were performed, taking into account three categories of incident ion with representative masses of 1, 16, and 28 Da, as well as two collision models both characterized by a strongly forward scattering angle distribution, but different in terms of the inclusion or exclusion of electronic excitation of ambient neutrals.
Results. Our model calculations reveal substantial increases in both the N2 and CH4 sputtering yields with increasing ion incidence energy and angle, and increasing ion mass. The energy distribution of escaping molecules is described reasonably well by a power law, with an enhanced high energy tail for more energetic incident ions and less massive atmospheric recoils. The CH4-to-N2 sputtering yield ratio is found to range from 10 to 20%, increasing with increasing incidence angle and also increasing with decreasing incidence energy. An approximate treatment of ion impact chemistry is also included in our model, predicting N2 sputtering yields on Titan that are in broad agreement with previous results.
Eruptions from quiet Sun coronal bright points
Authors: Galsgaard Klaus , Madjarska Maria S. , Mackay Duncan H. , Mou Chaozhou 
Published: February 2019

Context. Our recent observational study shows that the majority of coronal bright points (CBPs) in the quiet Sun are sources of one or more eruptions during their lifetime.
Aims. Here, we investigate the non-potential time-dependent structure of the magnetic field of the CBP regions with special emphasis on the time-evolving magnetic structure at the spatial locations where the eruptions are initiated.
Methods. The magnetic structure is evolved in time using a non-linear force-free field (NLFFF) relaxation approach based on a time series of helioseismic and magnetic imager (HMI) longitudinal magnetograms. This results in a continuous time series of NLFFFs. The time series is initiated with a potential field extrapolation based on a magnetogram taken well before the time of the eruptions. This initial field is then evolved in time in response to the observed changes in the magnetic field distribution at the photosphere. The local and global magnetic field structures from the time series of NLFFF field solutions are analysed in the vicinity of the eruption sites at the approximate times of the eruptions.
Results. The analysis shows that many of the CBP eruptions reported in a recent publication contain a twisted flux tube located at the sites of eruptions. The presence of flux ropes at these locations provides in many cases a direct link between the magnetic field structure, their eruption, and the observation of mini coronal mass ejections (mini-CMEs). It is found that all repetitive eruptions are homologous.
Conclusions. The NLFFF simulations show that twisted magnetic field structures are created at the locations hosting eruptions in CBPs. These twisted structures are produced by footpoint motions imposed by changes in the photospheric magnetic field observations. The true nature of the micro-flares remains unknown. Further 3D data-driven magnetohydrodynamic modelling is required to show how these twisted regions become unstable and erupt.
Neue Rollen in der Pflege
Authors: Maier Julia 
Published: February 2019

ZusammenfassungSeit drei Jahren arbeitet die Selbstverwaltung mit viel Energie daran, die
Vorgaben in puncto Qualität aus dem Krankenhausstrukturgesetz umzusetzen. Eine
wichtige Rolle dabei spielt das Institut für Qualitätssicherung und Transparenz
im Gesundheitswesen – IQTIG.