bluuebunny/crossref_metadata_2025 huggingface dataset:
Translocation and activation of sphingosine kinase 1 by ceramide‐1‐phosphate
Authors: Nishino Shohei , Yamashita Hisahiro , Tamori Mizuki , Mashimo Masato , Yamagata Kazuyuki , Nakamura Hiroyuki , Murayama Toshihiko
Published: November 2018

Sphingosine kinases (SphKs) and ceramide kinase (CerK) phosphorylate sphingosine to sphingosine‐1‐phosphate (S1P) and ceramide to ceramide‐1‐phosphate (C1P), respectively. S1P and C1P are bioactive lipids that regulate cell fate/function and human health/diseases. The translocation and activity of SphK1 are regulated by its phosphorylation of Ser
225 and by anionic lipids such as phosphatidic acid and phosphatidylserine. However, the roles of another anionic lipid C1P on SphK1 functions have not yet been elucidated, thus, we here investigated the regulation of SphK1 by CerK/C1P. C1P concentration dependently bound with and activated recombinant human SphK1. The inhibition of CerK reduced the phorbol 12‐myristate 13‐acetate‐induced translocation of SphK1 to the plasma membrane (PM) and activation of the enzyme in membrane fractions of cells. A treatment with C1P translocated wild‐type SphK1, but not the SphK1‐S225A mutant, to the PM without affecting phosphorylation signaling. A cationic RxRH sequence is proposed to be a C1P‐binding motif in α‐type cytosolic phospholipase A
2 and tumor necrosis factor α‐converting enzyme. The mutation of four cationic amino acids to Ala in the 56‐RRNHAR‐61 domain in SphK1 reduced the phorbol 12‐myristate 13‐acetate‐ and C1P‐induced translocation of SphK1 to the PM, however, the capacity of C1P to bind with and activate SphK1 was not affected by this mutation. In conclusion, C1P modulates SphK1 functions by interacting with multiple sites in SphK1.
Knockdown of TMPRSS3 inhibits cell proliferation, migration/invasion and induces apoptosis of glioma cells
Authors: Huo Jun‐Feng , Chen Xiao‐Bing
Published: November 2018

Transmembrane protease serine 3 (TMPRSS3) is a member of type II transmembrane serine proteases (TTSP) family, which play important roles in the development and progression of various cancers. However, the role of TMPRSS3 in glioma remains unclear. In the present study, we evaluated the expression patterns of TMPRSS3 in clinical tumor samples and glioma cell lines. The results showed that TMPRSS3 was highly expressed in both human glioma tissues and cell lines. Knockdown of TMPRSS3 in glioma cells by transfection with small interfering RNA targeting TMPRSS3 (si‐TMPRSS3) significantly suppressed cell proliferation and migration/invasion. Moreover, knockdown of TMPRSS3 markedly elevated the apoptotic rate of glioma cells. Si‐TMPRSS3 transfection also resulted in a remarkable increase in bax expression and a notable decrease in bcl‐2 expression in glioma cells. Furthermore, TMPRSS3 knockdown markedly suppressed the expressions of Notch1 and Hes1. The results indicated that knockdown of TMPRSS3 exhibited antiglioma effect, which is associated with the inactivation of the Notch signaling pathway. These findings suggested that TMPRSS3 might be used as a therapeutic target for glioma treatment.
The lncRNA SCARNA2 mediates colorectal cancer chemoresistance through a conserved microRNA‐342‐3p target sequence
Authors: Zhang Peng‐Fei , Wu Jing , Wu Yin , Huang Wei , Liu Min , Dong Zhao‐Ru , Xu Bai‐Ying , Jin Yong , Wang Fei , Zhang Xue‐Mei
Published: November 2018

Long noncoding RNAs (lncRNAs) have been implicated in numerous physiological and pathological processes, including cancer development and progression. However, the role and molecular mechanism of lncRNAs in resistance to chemotherapy of colorectal cancer (CRC) remain enigmatic. Here, we found that lncRNA small Cajal body‐specific RNA 2 (SCARNA2) is expressed higher in CRC tissues than in adjacent normal tissues, and a robust expression of SCARNA2 is correlated with a bad prognosis of CRC patients after surgery. SCARNA2 overexpression significantly promoted chemoresistance in CRC cells, and downregulation of SCARNA2 obviously inhibited chemoresistance in vitro. SCARNA2 promotes chemotherapy resistance via competitively binding miR‐342‐3p to facilitate epidermal growth factor receptor (EGFR) and B‐cell lymphoma 2 (BCL2) expression in CRC cells. Together, our results reveal a novel pathway that SCARNA2 regulates CRC chemoresistance through targeting miR‐342‐3p‐EGFR/BCL2 pathway, providing a promising therapeutic target for CRC.
Circular RNA CCDC66 targets DCX to regulate cell proliferation and migration by sponging miR‐488‐3p in Hirschsprung's disease
Authors: Wen Zechao , Shen Qiyang , Zhang Hua , Su Yang , Zhu Zhongxian , Chen Guanglin , Peng Lei , Li Hongxing , Du Chunxia , Xie Hua , Xu Xiaoqun , Tang Weibing
Published: November 2018

It has been suggested that circular RNAs play critical roles in natural growth and disease development. Nevertheless, whether the circular RNAs were related in Hirschsprung's disease (HSCR) remains unknown. Thus, we discovered the cir‐CCDC66 was downregulated in HSCR compared with the normal gut tissues. The cir‐CCDC66 reduction might inhibit cells’ proliferation and migration in vitro. Then, we found that DCX transcript was putative cir‐CCDC66 competing endogenous RNA. Furthermore, the function of cir‐CCDC66 as a sponge for miR‐488‐3p to regulate DCX RNA expression was demonstrated by immunoprecipitation and luciferase reporter assays. In conclusion, this is the first report revealing that cir‐CCDC66 modulates DCX expression through sponging miR‐488‐3p and thus participates in the onset of HSCR.
An unusual pelvic mass: Contrast‐enhanced sonographic diagnosis of pelvic splenosis
Authors: Kruger Ross , Freeman Simon
Published: November 2018

Splenosis is an unusual condition representing auto‐transplantation of splenic tissue following splenic trauma or surgery. When detected on imaging studies, the splenosis deposits are usually misinterpreted as pathological masses. We present a case where a pelvic mass incidentally visualized on an MRI examination, was proven to represent a deposit of splenosis by contrast enhanced ultrasound (CEUS). CEUS demonstrated persistent late‐phase enhancement characteristic of splenic tissue. Ultrasound practitioners should be aware of this condition when an unusual abdominal or pelvic mass is encountered in a patient with a history of splenic trauma or surgery. CEUS is ideally suited to confirming the diagnosis.
Variations in contents of hyaluronan in the peritumoral micro‐environment of human chondrosarcoma
Authors: Fede Caterina , Stecco Carla , Angelini Andrea , Fan Chenglei , Belluzzi Elisa , Pozzuoli Assunta , Ruggieri Pietro , De Caro Raffaele
Published: November 2018

A concept consolidated in recent years is that tumor growth depends to a great extent on the micro‐environment surrounding the tumor, which has a fundamental role in tumor progression and in determining the effectiveness of therapies. Our analysis focuses on chondrosarcoma, the second primary malignant bone tumor, resistant to both chemotherapeutic and radiation therapy. We quantified hyaluronan, one of the main components of the extracellular matrix, with the aim of comparing its amount in the connective tissue surrounding the tumor with intra‐tumoral tissue and healthy fascia of the same anatomic district, viewed as a health control. We demonstrate that hyaluronan increased significantly in the peritumoral stroma compared with the healthy fascia, which showed an average amount according to the physical characteristics of body districts by a mean value of 26.9 μg/g. In the peritumoral stroma, the mean hyaluronan content reached 132.6 μg/g (mean value of 63.2 μg/g). The p‐value was less than 0.01, showing a highly significant statistical difference. Surprisingly, no significant differences were detected as a function of age, gender, or tumor grade. The levels of hyaluronan were comparable in peritumoral and tumor tissues, although there were differences depending on the state of necrosis. In addition, data on the expression of hyaluronic acid synthetase showed a decrease of about 50% in peritumoral and tumor tissues, indicating alterations in hyaluronan turnover and synthesis. This work demonstrates a variation in hyaluronan contents around the chondrosarcoma, likely correlated with the aggressiveness and resistance to chemotherapy of this tumors. Statement of Clinical Significance: Deeper knowledge about the composition of the peritumoral stroma, rich in extracellular matrix, will enhance better study and understanding of the metastatic potential of tumors and their prognostic indices. © 2018 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 37:503–509, 2019.
Semiconducting Polymer Spherulites—From Fundamentals to Polymer Electronics
Authors: Dingler Carsten , Dirnberger Klaus , Ludwigs Sabine
Published: November 2018

The control of the morphology of semiconducting semicrystalline polymers is crucial to the performance of various electronic devices. Among other superstructures in semicrystalline polymers, spherulites stand out for various reasons. They are highly ordered, relatively easy to grow, and their underlying molecular structure provides anisotropic optical and electronic properties of the resulting polymeric material. In this feature article, a short overview of classical crystallization theory is given as well as a brief introduction to spherulites as supermolecular structures. The article then focuses on semicrystalline polymers with semiconducting properties. From classical melt crystallization toward solvent vapor annealing, different strategies of growing spherulites of these types of polymers are presented and examples of the corresponding polymers and their resulting morphology are given. Eventually, the potential application of spherulitic thin films in organic electronics such as field‐effect transistors is demonstrated. Conductivity and mobility measurements are shown, particularly focusing on the anisotropy of the latter.
A methodology for sensitivity analysis of spatial features in forecasts: the stochastic kinetic energy backscatter scheme
Authors: Marzban Caren , Tardif Robert , Sandgathe Scott , Hryniw Natalia
Published: November 2018

Stochastic kinetic energy backscatter schemes (SKEBSs) are introduced in numerical weather forecast models to represent uncertainties related to unresolved subgrid‐scale processes. These schemes are formulated using a set of parameters that must be determined using physical knowledge and/or to obtain a desired outcome. Here, a methodology is developed for assessing the effect of four factors on spatial features of forecasts simulated by the SKEBS‐enabled Weather Research and Forecasting model. The four factors include two physically motivated SKEBS parameters (the determining amplitude of perturbations applied to stream function and potential temperature tendencies), a purely stochastic element (a seed used in generating random perturbations) and a factor reflecting daily variability. A simple threshold‐based approach for identifying coherent objects within forecast fields is employed, and the effect of the four factors on object features (e.g. number, size and intensity) is assessed. Four object types are examined: upper‐air jet streaks, low‐level jets, precipitation areas and frontal boundaries. The proposed method consists of a set of standard techniques in experimental design, based on the analysis of variance, tailored to sensitivity analysis. More specifically, a Latin square design is employed to reduce the number of model simulations necessary for performing the sensitivity analysis. Fixed effects and random effects models are employed to assess the main effects and the percentage of the total variability explained by the four factors. It is found that the two SKEBS parameters do not have an appreciable and/or statistically significant effect on any of the examined object features.
A home‐based tele‐rehabilitation protocol for patients with hip fracture called @ctivehip
Authors: Ortiz‐Piña Mariana , Salas‐Fariña Zeus , Mora‐Traverso Marta , Martín‐Martín Lydia , Galiano‐Castillo Noelia , García‐Montes Inmaculada , Cantarero‐Villanueva Irene , Fernández‐Lao Carolina , Arroyo‐Morales Manuel , Mesa‐Ruíz Antonio , Castellote‐Caballero Yolanda , Salazar‐Graván Susana , Kronborg Lise , Martín‐Matillas Miguel , Ariza‐Vega Patrocinio
Published: November 2018

Home‐based tele‐rehabilitation programs are under development and may be a future option for some patients. The objectives of this non‐randomized clinical trial are to design a home‐based multidisciplinary tele‐rehabilitation protocol for patients with hip fracture, and to compare this protocol versus the home‐based usual outpatient rehabilitation protocol. Seventy patients treated for an acute hip fracture, aged 65 years or older, with a high pre‐fracture functional level (Functional Independence Measure score >90), without severe cognitive impairment, absence of terminal disease, discharged to their own home or a relativés home postoperatively, allowed weight‐bearing, and with signed informed consent, will be allocated into a tele‐rehabilitation group (n = 35) or a control group (n = 35). The inclusion criterion for the intervention group will be to have a caregiver with the ability to access the Internet who is willing to perform exercises and activities with the patient at home. The intervention includes a program of physical exercise and occupational therapy (five weekly sessions during 12 weeks), and recommendations for patients and their caregivers, all delivered through a website. The patient's functional level (Functional Independence Measure), quality of life (Euro‐Qol), physical performance (Timed Up and Go), caregiver burden (Zarit Interview), and other descriptive data will be assessed at hospital discharge, 4 weeks, and 12 weeks. This project will add to the knowledge concerning the feasibility of tele‐rehabilitation as an option to promote recovery of the pre‐fracture functional level for some patients with a hip fracture. ClinicalTrials.gov Identifier: NCT02968589NCT.
The synthesis of cyclic polymers by olefin metathesis: Achievements and challenges
Authors: Edwards Julian P. , Wolf William J. , Grubbs Robert H.
Published: November 2018

Cyclic polymers have drawn considerable interest for their peculiar physical properties in comparison to linear polymers, despite their equivalent compositions. Synthetically, cyclic polymers can be accessed through either macrocyclic ring‐closure or by ring‐expansion polymerization, but the main challenge with either method is the production of highly pure cyclic polymer samples. This highlight describes advances in the area of cyclic polymer synthesis, with a particular focus on ring‐expansion metathesis polymerization. Methods for characterizing cyclic polymers and assessing their purity are also discussed in order to emphasize the need for additional robust and reliable methods for synthesizing and studying topologically complex macromolecules. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 228–242
The vertical wave number spectra of potential energy density in the stratosphere deduced from the COSMIC satellite observation
Authors: Yan Yan Ying , Zhang Shao Dong , Huang Chun Ming , Huang Kai Ming , Gong Yun , Gan Quan
Published: November 2018

The present study investigates the global vertical wave number spectra of potential energy density in the stratosphere by utilizing the COSMIC temperature data in the period January 2007 to February 2014. The statistical analysis shows that the spectral amplitude (defined as the maximum spectral energy density) varies from 0.1 × 104 m2 s−2 (cycle/m)−1 to 3.2 × 104 m2 s−2 (cycle/m)−1, generally smaller than the theoretical saturated spectral amplitude, with remarkable temporal and spatial variations. Due to the latitudinal and seasonal variations of the background winds and wave sources, the amplitude exhibits obvious quasi‐biennial, annual and semi‐annual cycles at low latitudes, and the annual cycle at middle and high latitudes. The spectral slope, ranging from −1.6 to −3.0, is systematically less negative than the canonical value of −3, and exhibits a quasi‐biennial cycle at low latitudes, annual cycle at middle and high latitudes, and semi‐annual cycle at boreal high latitudes. Different from the amplitude, the slope shows weaker temporal and latitudinal variations, strongly indicating a more universal feature of the slope, which mainly results from the wave propagation process (such as the wave–wave or wave–background flow interactions) rather than the wave source characteristics. Furthermore, we statistically study the longitudinal variation of the spectral parameters. The spectral amplitude at different latitudes shows an obvious and distinctive longitudinal distribution, which is attributed to the latitude‐dependent jet and front mechanisms and/or orography. However, the slope has no evident longitudinal distribution except over around 120°W, 67°W and 85°E. This may be accounted for by the fact that orography‐excited gravity waves are easily influenced by the background winds due to their low frequencies. Interestingly, the amplitude and slope have negative correlation at most latitudes. Larger spectral amplitudes could mean that the gravity wave spectrum is more strongly saturated, resulting in a spectral slope closer to the theoretical value of −3.
Bioinspired 3D Printed Locomotion Devices Based on Anisotropic Friction
Authors: Ma Shuanhong , Scaraggi Michele , Yan Changyou , Wang Xiaolong , Gorb Stanislav N. , Dini Daniele , Zhou Feng
Published: November 2018

Anisotropic friction plays a key role in natural systems, particularly for realizing the purpose of locomotion and strong attachment for the survival of organisms. Of particular interest, here, is the observation that friction anisotropy is promoted numerous times by nature, for example, by wild wheat awn for its targeted and successful seed anchorage and dispersal. Such feature is, however, not fully exploited in man‐made systems, such as microbots, due to technical limitations and lack of full understanding of the mechanisms. To unravel the complex dynamics occurring in the sliding interaction between anisotropic microstructured surfaces, the friction induced by asymmetric plant microstructures is first systematically investigated. Inspired by this, anisotropic polymer microactuators with three‐dimensional (3D) printed microrelieves are then prepared. By varying geometric parameters, the capability of microactuators to generate strong friction anisotropy and controllable motion in remotely stretched cylindrical tubes is investigated. Advanced theoretical models are proposed to understand and predict the dynamic behavior of these synthetic systems and to shed light on the parameters and mechanisms governing their behavior. Finally, a microbot prototype is developed and cargo transportation functions are successfully realized. This research provides both in‐depth understanding of anisotropic friction in nature and new avenues for developing intelligent actuators and microbots.
A New Class of Zn1‐xFex–Oxyselenide and Zn1‐xFex–LDH Nanostructured Material with Remarkable Bifunctional Oxygen and Hydrogen Evolution Electrocatalytic Activities for Overall Water Splitting
Authors: Rajeshkhanna Gaddam , Kandula Syam , Shrestha Khem Raj , Kim Nam Hoon , Lee Joong Hee
Published: November 2018

The scalable and cost‐effective H2 fuel production via electrolysis demands an efficient earth‐abundant oxygen and hydrogen evolution reaction (OER, and HER, respectively) catalysts. In this work, for the first time, the synthesis of a sheet‐like Zn1‐xFex–oxyselenide and Zn1‐xFex–LDH on Ni‐foam is reported. The hydrothermally synthesized Zn1‐xFex–LDH/Ni‐foam is successfully converted into Zn1‐xFex–oxyselenide/Ni‐foam through an ethylene glycol‐assisted solvothermal method. The anionic regulation of electrocatalysts modulates the electronic properties, and thereby augments the electrocatalytic activities. The as‐prepared Zn1‐xFex–LDH/Ni‐foam shows very low OER and HER overpotentials of 263 mV at a current density of 20 mA cm−2 and 221 mV at 10 mA cm−2, respectively. Interestingly, this OER overpotential is decreased to 256 mV after selenization and the HER overpotential of Zn1‐xFex–oxyselenide/Ni‐foam is decreased from 238 to 202 mV at 10 mA cm−2 after a stability test. Thus, the Zn1‐xFex–oxyselenide/Ni–foam shows superior bifunctional catalytic activities and excellent durability at a very high current density of 50 mA cm−2. More importantly, when the Zn1‐xFex–oxyselenide/Ni‐foam is used as the anode and cathode in an electrolyzer for overall water splitting, Zn1‐xFex–oxyselenide/Ni‐foam(+)ǁZn1‐xFex–oxyselenide/Ni‐foam(‐) shows an appealing potential of 1.62 V at 10 mA cm−2. The anionic doping/substitution methodology is new and serves as an effective strategy to develop highly efficient bifunctional electrocatalysts.
Transparent Electronics Using One Binary Oxide for All Transistor Layers
Authors: Alshammari Fwzah H. , Hota Mrinal K. , Alshareef Husam N.
Published: November 2018

A novel process is developed in which thin film transistors (TFTs) comprising one binary oxide for all transistor layers (gate, source/drain, semiconductor channel, and dielectric) are fabricated in a single deposition system at low temperature. By simply changing the flow ratio of two chemical precursors, C8H24HfN4 and (C2H5)2Zn, in an atomic layer deposition system, the electronic properties of the binary oxide (Hf
xZn1−xO2−δ or HZO) are tuned from conducting, to semiconducting, to insulating. Furthermore, by carefully optimizing the properties of the various transistor HZO layers, all‐HZO thin film transistors are achieved with excellent performance on both glass and plastic substrates. Specifically, the optimized all‐HZO TFTs show a saturation mobility of ≈17.9 cm2 V−1 s−1, low subthreshold swing of ≈480 mV dec−1, high Ion/Ioff ratio of >109, and excellent gate bias stability at elevated temperatures. In addition, all‐HZO inverters with high DC voltage gain (≈470), and all‐HZO ring oscillators with low stage delay (≈408 ns) and high oscillation frequency of 245 kHz are demonstrated. This approach presents a novel, simple, high performance, and cost‐effective process for the fabrication of indium‐free transparent electronics.
Tailoring Oxygen Vacancies of BiVO4 toward Highly Efficient Noble‐Metal‐Free Electrocatalyst for Artificial N2 Fixation under Ambient Conditions
Authors: Yao Jia‐Xin , Bao Di , Zhang Qi , Shi Miao‐Miao , Wang Yue , Gao Rui , Yan Jun‐Min , Jiang Qing
Published: November 2018

Ammonia (NH3) is vital to human beings as an important energy carrier, fertilizer precursor, and fuel, while breakage of the NN bond in nitrogen (N2) is a kinetically complex and energetically challenging multistep reaction. Development of electrocatalysts for efficient NH3 electrosynthesis via the N2 reduction reaction (NRR) is highly desirable but remains a key challenge. In this work, based on the density functional theory calculations, a novel and effective strategy to boost the nitrogen electroreduction performance of BiVO4 by tailoring its oxygen vacancies (OVs) is first proposed and demonstrated. Unexpectedly, the noble‐metal‐free BiVO4 with the highest OVs concentration shows excellent NRR performances, including high NH3 yield rate (up to 8.60 µg h−1 mg−1cat.), high faradaic efficiency (10.04% at −0.5 V vs reversible hydrogen electrode), and good stability (up to 24 h) at ambient conditions, outperforming most reported NRR electrocatalysts under ambient conditions and even some under harsh conditions, which can be attributed to enhanced N2 adsorption energy and a more favorable active reaction site at the V atom with lower coordination and higher spin‐polarization with a localized magnetic moment due to the introduction of OVs.
Facilitating organizational action regarding a co‐operative's governance system in a developing country using the viable systems model
Authors: Martinez‐Lozada Andrea C.
Published: November 2018

Studies in developing countries have demonstrated that co‐operatives have the potential to become an important economic factor. However, these studies have revealed deficient management practices that could hinder co‐operative's possibilities of playing this role in the economy. There are recurrent calls to study this issue and generate knowledge that could improve prospects for co‐operatives. This paper advances current research by applying an already tested methodology inspired on the viable systems model to provide a better understanding on co‐operatives' governance systems, in the context of developing countries. The results show positive evidence for how a participatory and facilitated systemic intervention could support the implementation of actions aiming to improve a co‐operative governance system. The approach and methodology used in the project represent a promising toolkit to work on governance systems within co‐operatives and provide new academic perspectives to address governance issues within these organizations.
Mechanical properties of steel fiber reinforced recycled aggregate concrete
Authors: Ramesh Rakul Bharatwaj , Mirza Olivia , Kang Won‐Hee
Published: November 2018

This study experimentally investigates the mechanical properties of steel fiber reinforced recycled aggregate concrete (SFRRAC). The smaller strength and ductility of recycled aggregate concrete (RAC), compared to those of natural aggregate concrete (NAC), have restricted its use to mainly non‐structural applications in the construction industry. Such limitations in the mechanical behavior of RAC can be overcome by adding industrial steel fiber (SF). In this study, the split‐tensile strength, the compressive strength, the toughness under compression and the elastic modulus for 25 SFRRAC mixes are experimentally investigated. These 25 mixes were prepared from combinations of five different volume fractions of SF, 0, 0.3, 0.5, 0.7 and 1.0% and five different replacement proportions of natural aggregates (NA) by recycled aggregate (RA), 0, 30, 50, 70 and 100%. From experiments, it was observed that the split‐tensile strength, the compressive strength and the elastic modulus of SFRRAC mixes decreased with RA content; the split‐tensile strength and the toughness under compression increased with SF content. However, there was no clear correlation observed between the SF content and the compressive strength or the elastic modulus. Regression models were established based on the RA and SF contents in the SFRRAC mixes to predict their split‐tensile strength, compressive strength and elastic modulus.
Molecular dynamics simulations of macromolecular crystals
Authors: Cerutti David S. , Case David A.
Published: November 2018

The structures of biological macromolecules would not be known to their present extent without X‐ray crystallography. Most simulations of globular proteins in solution begin by surrounding the crystal structure of the monomer in a bath of water molecules, but the standard simulation employing periodic boundary conditions is already close to a crystal lattice environment. With simple protocols, the same software and molecular models can perform simulations of the crystal lattice, including all asymmetric units and solvent to fill the box. Throughout the history of molecular dynamics, studies of crystal lattices have served to investigate the quality of the underlying force fields, correlate the simulated ensembles to experimental structure factors, and extrapolate the behavior in lattices to behavior in solution. Powerful new computers are enabling molecular simulations with greater realism and statistical convergence. Meanwhile, the advent of exciting new methods in crystallography, including femtosecond free‐electron lasers and image reconstruction for time‐resolved crystallography on slurries of small crystals, is expanding the range of structures accessible to X‐ray diffraction. We review past fusions of simulations and crystallography, then look ahead to the ways that simulations of crystal structures will enhance structural biology in the future.

This article is categorized under:

Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods

Structure and Mechanism > Computational Biochemistry and Biophysics
Nonlinear stability of 2-solitons of the sine-Gordon equation in the energy space
Authors: Muñoz Claudio , Palacios José M.
Published: November 2018

In this article we prove that 2-soliton solutions of the sine-Gordon equation (SG) are orbitally stable in the natural energy space of the problem

H^{1} \times L^{2}

. The solutions that we study are the
2-kink, kink–antikink and breather
of SG. In order to prove this result, we will use Bäcklund transformations implemented by the Implicit Function Theorem. These transformations will allow us to reduce the stability of the three solutions to the case of the vacuum solution, in the spirit of previous results by Alejo and the first author [3], which was done for the case of the scalar modified Korteweg–de Vries equation. However, we will see that SG presents several difficulties because of its vector valued character. Our results improve those in [5], and give the first rigorous proof of the nonlinear stability in the energy space of the SG 2-solitons.
Psychiatric disorders and autism in young children with 22q11.2 deletion syndrome compared to children with idiopathic autism
Authors: Serur Yaffa , Frumber Dafin Sofrin , Daon Keren , Sobal-Havia Dolly , Weinberger Ronnie , Shulman Cory , Gothelf Doron
Published: November 2018

The 22q11.2 deletion syndrome (22q11DS) is a neurogenetic condition characterized by high rates of psychiatric disorders. To our knowledge, this is the first study to assess psychiatric disorders in young children with 22q11DS using a structured psychiatric diagnostic interview, and one of few studies to use the complete gold standard diagnostic evaluation to examine the prevalence of autism spectrum disorder (ASD) in young children with 22q11DS and compare it to a matched control group with iASD.

We identified the psychiatric disorders and autistic phenotype of young children with 22q11DS (age 3–8 years) and compared them with those of age and sex-matched children with idiopathic autism (iASD). We used the gold standard psychiatric and ASD assessments including the Autism Diagnostic Interview-Revised (ADI-R), the Autism Diagnostic Observation Schedule (ADOS) and a clinical examination by a child psychiatrist.

Eighty-four percent of the children with 22q11DS had at least one psychiatric disorder, including anxiety disorders and ADHD, and 16% met strict criteria for ASD. Children with 22q11DS and ASD symptoms had less severe overall ASD symptoms than those with iASD. Children with 22q11DS, regardless of ASD diagnosis, were characterized by repetitive restricted behaviors.

Our results highlight the need to screen for psychiatric disorders in 22q11DS and treat them already in preschool years.
Natural ring structures on the Baikal ice cover: analysis of experimental data and mathematical modeling
Authors: Granin N.G. , Mizandrontsev I.B. , Kozlov V.V. , Tsvetova E.A. , Gnatovskii R.Yu. , Blinov V.V. , Aslamov I.A. , Kucher K.M. , Ivanov V.G. , Zhdanov A.A.
Published: November 2018

Hydrophysical studies and mathematical modeling of ring structures during ice cover on Lake Baikal have shown that their existence at the stage of ice cover degradation is due to anticyclonic currents. Such currents can be generated as a result of local upwelling, which we associate with the rise of methane hydrates from the top layer of bottom sediments and their dissociation. Analysis of satellite images shows that the radii of ice rings range from 1300 to 2400 m, which is close to the baroclinic Rossby radius. The measured ice thicknesses in the area of the rings are in agreement with model calculations. Deep water renewal in Lake Baikal can also be associated with the rise of hydrates.
Characterization and simplification of optimal strategies in positive stochastic games
Authors: Flesch János , Predtetchinski Arkadi , Sudderth William
Published: November 2018

We consider positive zero-sum stochastic games with countable state and action spaces. For each player, we provide a characterization of those strategies that are optimal in every subgame. These characterizations are used to prove two simplification results. We show that if player 2 has an optimal strategy then he/she also has a stationary optimal strategy, and prove the same for player 1 under the assumption that the state space and player 2's action space are finite.
Infinite-server queues with Hawkes input
Authors: Koops D. T. , Saxena M. , Boxma O. J. , Mandjes M.
Published: November 2018

In this paper we study the number of customers in infinite-server queues with a self-exciting (Hawkes) arrival process. Initially we assume that service requirements are exponentially distributed and that the Hawkes arrival process is of a Markovian nature. We obtain a system of differential equations that characterizes the joint distribution of the arrival intensity and the number of customers. Moreover, we provide a recursive procedure that explicitly identifies (transient and stationary) moments. Subsequently, we allow for non-Markovian Hawkes arrival processes and nonexponential service times. By viewing the Hawkes process as a branching process, we find that the probability generating function of the number of customers in the system can be expressed in terms of the solution of a fixed-point equation. We also include various asymptotic results: we derive the tail of the distribution of the number of customers for the case that the intensity jumps of the Hawkes process are heavy tailed, and we consider a heavy-traffic regime. We conclude by discussing how our results can be used computationally and by verifying the numerical results via simulations.
ON THE GALOIS STRUCTURE OF ARITHMETIC COHOMOLOGY I: COMPACTLY SUPPORTED -ADIC COHOMOLOGY
Authors: BURNS DAVID
Published: November 2018

We investigate the Galois structures of$p$-adic cohomology groups of general$p$-adic representations over finite extensions of number fields. We show, in particular, that as the field extensions vary over natural families the Galois modules formed by these cohomology groups always decompose as the direct sum of a projective module and a complementary module of bounded$p$-rank. We use this result to derive new (upper and lower) bounds on the changes in ranks of Selmer groups over extensions of number fields and descriptions of the explicit Galois structures of natural arithmetic modules.
Fat mass estimation in neonates: anthropometric models compared with air displacement plethysmography
Authors: Josefson Jami L. , Nodzenski Michael , Talbot Octavious , Scholtens Denise M. , Catalano Patrick
Published: November 2018

Newborn adiposity, a nutritional measure of the maternal–fetal intra-uterine environment, is representative of future metabolic health. An anthropometric model using weight, length and flank skinfold to estimate neonatal fat mass has been used in numerous epidemiological studies. Air displacement plethysmography (ADP), a non-invasive technology to measure body composition, is impractical for large epidemiological studies. The study objective was to determine the consistency of the original anthropometric fat mass estimation equation with ADP. Full-term neonates were studied at 12–72 h of life with weight, length, head circumference, flank skinfold thickness and ADP measurements. Statistical analyses evaluated three models to predict neonatal fat mass. Lin’s concordance correlation coefficient, mean prediction error and root mean squared error between the predicted and observed ADP fat mass values were used to evaluate the models, where ADP was considered the gold standard. A multi-ethnic cohort of 468 neonates were studied. Models (M) for predicting fat mass were developed using 349 neonates from site 1, then independently evaluated in 119 neonates from site 2. M0 was the original anthropometric model, M1 used the same variables as M0 but with updated parameters and M2 additionally included head circumference. In the independent validation cohort, Lin’s concordance correlation estimates demonstrated reasonable accuracy (model 0: 0·843, 1: 0·732, 2: 0·747). Mean prediction error and root mean squared error in the independent validation was much smaller for M0 compared with M1 and M2. The original anthropometric model to estimate neonatal fat mass is reasonable for predicting ADP, thus we advocate its continued use in epidemiological studies.
Interpreting physical and mental metaphors: Is Theory of Mind associated with pragmatics in middle childhood?
Authors: LECCE Serena , RONCHI Luca , DEL SETTE Paola , BISCHETTI Luca , BAMBINI Valentina
Published: November 2018

We investigated the association between individual differences in metaphor understanding and Theory of Mind (ToM) in typically developing children. We distinguished between two types of metaphors and created a Physical and Mental Metaphors task, echoing a similar distinction for ToM. Nine-year-olds scored lower than older age-groups in ToM as well as in the interpretation of mental, but not physical, metaphors. Moreover, nine-year-olds (but not older children) who are better in ToM are also better in interpreting mental, but not physical, metaphors. This suggests that the link between metaphor and ToM is stronger when metaphorical interpretation involves mental aspects, and it is more evident in early rather than later childhood.
Political elites in deliberative democracy: beliefs and behaviors of Chinese officials
Authors: Zhang Kaiping , Meng Tianguang
Published: November 2018

Political leaders and elites play an enormous role in shaping a country's political development. Participatory and deliberative governance represents a major trend of political development around the world; while many studies focus on the ordinary people involved in public deliberation, little is known about the roles elites play in facilitating or impeding the progress of this deliberation. Utilizing a new survey on Chinese officials, we offer the first empirical study that reveals Chinese officials’ perceptions and practices of deliberative democracy. We find that cultural and political traditions alongside personal and social factors have deeply shaped elites’ understandings of democracy, especially the new socialist deliberative democracy. Chinese officials understand democracy largely according to the Confucian tradition ofminbenand the Chinese Communist Party's (CCP) political heritage ofmass line, both of which emphasize that officials should listen to the people and make benevolent policies for them. While many embrace the significance of deliberative institutions for improving democratic governance, others emphasize the pragmatic value of consolidating the status quo, or believe it is merely a political show. Democratic oriented officials in the Chinese sense – those who view themselves as servants of the people who should respond to their needs, value public input, are willing to converse with the people in an equal manner, and are less concerned about risks in social stability – are more likely to engage the public in daily decision-making through various channels. Our study suggests that different practices of authoritarian deliberation may lead toward distinct prospects for democracy.
Deliberation, demobilization, and limited empowerment: a survey study on participatory pricing in China
Authors: Qin Xuan , He Baogang
Published: November 2018

Authoritarian deliberation has been used widely to describe the specific form of deliberation developed in China. However, whether its practice will strengthen authoritarianism or lead to democratization remains unknown. In this study, we examine this question from the perspective of participants in public deliberation. Surveying the participants in participatory pricings held in Shanghai over the past 5 years, we find that participants’ perception of deliberative quality has a statistically significant negative impact on their level of political activism, while their level of empowerment has a moderating effect on this negative relationship. In this light, Chinese deliberative practices characterized by high-quality deliberation and low-level empowerment are likely to have a demobilization effect; thus, they reinforce the authoritarian rules.
A critical reappraisal of resident participation in China and France: ‘authoritarian deliberation’ goes global?
Authors: Romano Giulia C.
Published: November 2018

This paper, the first step of a project aiming at analysing the establishment of practices of resident participation and consultation in urban renewal in China, proposes a reflection upon these practices through a comparison with similar experiences in France. Identifying some convergences between the practices adopted in the two countries, the paper proposes to reflect upon such puzzling outcomes, provocatively questioning the classic distinction between authoritarian and democratic regimes. It suggests that our analyses and interpretations shall get rid of classical binary categorisations between regime types to embrace a comparative analysis of the policies and practices introduced in various local contexts, and reflect upon their underlying logics. In so doing, the paper engages with He and Warren's concept of ‘authoritarian deliberation’ as well as with the critiques expressed by a number of French scholars on concepts such as ‘participative democracy’ and ‘good governance’. Such a focus on the underlying logics rather than on regime types will show that the concept of ‘authoritarian deliberation’ does not only apply to authoritarian contexts. Rather, it represents a fruitful starting point to analyse and reflect upon instances of participation and deliberation in both democratic and authoritarian countries.
The Wilsonian moment: Japan 1912–1952
Authors: Inoguchi Takashi
Published: November 2018

The aim of this special issue is to give a new spin to the study of the impact of the liberal Wilsonian moment on Japan, with a focus on the interwar period in a broader historical span. The Wilsonian liberal international order encompasses its fledgling (1914–1945), formative (1945–1952), competitive (1952–1989), and maturity (1989–2018) periods. In this special issue, the four articles deal with the first and second periods. Yutaka Harada and Frederick Dickinson adopt this longer perspective – not just President Wilson's moment of Fourteen Points – each focusing on (1) the vigor of Japan's industrialization and open economic policy in 1914–1931 and (2) the basic continuity between the prewar and postwar periods in terms of normative and institutional commitments with the fledgling, if volatile, liberal international order such as those with the Versailles and Washington treaties after World War I, the war prohibition treaty of 1928, and the naval disarmament treaty of 1930. Ryoko Nakano and Takashi Inoguchi take up the re-examination of two tiny minorities of liberal academics, Yanaihara Tadao and Nambara Shigeru, who at most kept their integrity. Nakano recasts Yanaihara's academic life with its intellectual agony of believing in a national self-determination policy for Japanese colonies. Inoguchi underlines Nambara's stoic self-discipline under wartime dictatorship and active political involvement under US occupation regarding the newly drafted Japanese Constitution. An emphasis is placed on the considerable positive influence of Wilsonian ideas on Japan, an influence that faded in the late 1930s, but re-emerged with considerable vigor after 1945.
Anforderungen, Entscheidungsfreiräume und Stress im Studium
Authors: Schmidt Laura I. , Scheiter Fabian , Neubauer Andreas , Sieverding Monika
Published: November 2018

Zusammenfassung. Mit dem Demand-Control-Modell und dem dazugehörigen Job Content Questionnaire (JCQ) existiert im Arbeitsumfeld ein bewährtes Modell zur Vorhersage physischer und psychischer Gesundheitsrisiken. Um diese auch unter Studierenden theoriegeleitet vorhersagen zu können, passten wir den JCQ auf den Hochschulkontext an und untersuchten mittels unseres Fragebogens zu strukturellen Belastungen und Ressourcen im Studium (StrukStud) den Erklärungsbeitrag hinsichtlich Stresserleben und Wohlbefinden. In 4 Studien mit insgesamt 732 Studierenden (Psychologie, Lehramt, Soziale Arbeit, Wirtschaftsrecht und Erziehung & Bildung) wurden die Demand-Control-Dimensionen (StrukStud), Stresserleben (Heidelberger Stress-Index HEI-STRESS & Perceived Stress Questionnaire) und weitere Referenzkonstrukte wie Studienzufriedenheit und körperliche Beschwerden erfasst. Befunde zur Reliabilität und Validität werden vorgestellt. Die Ergebnisse belegen die psychometrische Qualität des StrukStud sowie dessen Potenzial zur Erklärung von Stress im Studium. Mit dem StrukStud liegt für den deutschsprachigen Raum erstmals ein ökonomisches Selbsteinschätzungsinstrument zur Erfassung von psychologischen Anforderungen und Entscheidungsfreiräumen im Studium vor.
Contrasting Tropical Climate Response Pattern to Localized Thermal Forcing Over Different Ocean Basins
Authors: Kang Sarah M. , Park Kiwoong , Hwang Yen‐Ting , Hsiao Wei‐Ting
Published: November 2018

We contrast the spatial patterns of tropical climate response to localized thermal forcing over different ocean basins in an atmospheric model coupled to a slab ocean. A localized forcing poleward of the climatological storm tracks produces a tropical climate response pattern that is nearly independent of the forcing location. Regardless of the location of extratropical forcing, a common zonally asymmetric La Niña‐like pattern of sea surface temperature response accompanies a northward shift of the Intertropical Convergence Zone. In contrast, a localized tropical forcing produces essentially opposite tropical climate response patterns depending on the forced ocean basin. The northern tropical Pacific (Atlantic) heating induces a warming (cooling) throughout the tropical Pacific, a weakening (strengthening) of the equatorial Pacific trade winds, and a northward (southward) shift of the Southern Pacific Convergence Zone. Our study provides a pathway forward for improving future projections of tropical climate under different anthropogenic forcing scenarios.
Long‐Lived Tsunami Edge Waves and Shelf Resonance From the M8.2 Tehuantepec Earthquake
Authors: Melgar Diego , Ruiz‐Angulo Angel
Published: November 2018

The 8 September 2017 M8.2 Tehuantepec, Mexico, earthquake ruptured an ~150‐km‐long high‐angle normal fault below the subduction zone megathrust. A tsunami was generated by the event with surveyed runup as large as 3 m. Tide gauges in the region show a remarkably long duration of the tsunami with oscillations within the very wide and shallow Tehuantepec shelf lasting as long as 3 days. Here we produce a model of the tsunami and validate it by comparing it to the tsunami survey and to the time and frequency domain features of regional tide gauges. We analyze the model results and show that the long‐lived oscillations are a result of wholesale resonance of the shelf as well as very efficient trapping of edge waves at the shore. These resonant features are the result of the Tehuantepec shelf morphology and illuminate a previously unidentified tsunami hazard for the region.