bluuebunny/crossref_metadata_2025 huggingface dataset:
Heritability and responses to high fat diet of plasma lipidomics in a twin study
Authors: Frahnow Turid , Osterhoff Martin A. , Hornemann Silke , Kruse Michael , Surma Michal A. , Klose Christian , Simons Kai , Pfeiffer Andreas F. H.
Published: June 2017

Lipidomics have a great potential as clinical tool for monitoring metabolic changes in health and disease. Nevertheless hardly anything is known about the heritability of lipids. Therefore, it is necessary to clarify how and how much we can affect these progresses in individuals. In our interventional twin study (46 healthy, non-obese twin pairs) we investigated the lipid profile in plasma samples after switching from a low fat diet to an isocaloric high fat diet (HFD) to characterize the metabolic adaptation. Additionally we used the ACE model for Additive genetics, Common and unique Environment as well as linear mixed modelling to analyse the heritability of lipids. The heritability of lipids varied between 0–62% and applied to lipid species rather than to lipid classes. Phospholipids showed the highest inheritance. In addition, sex, body mass index (BMI) and age were important modifiers. The lipid profile changed already after one week of HFD and diverged further after 5 weeks of additional HFD. Basal concentrations of specific lipids within phospholipids are strongly inherited and are likely to be associated with heritable disease risks. BMI, sex and age were major modifiers. Nutrition strongly alters specific lipid classes, and has to be controlled in clinical association studies.
Machine Learning and Network Analysis of Molecular Dynamics Trajectories Reveal Two Chains of Red/Ox-specific Residue Interactions in Human Protein Disulfide Isomerase
Authors: Karamzadeh Razieh , Karimi-Jafari Mohammad Hossein , Sharifi-Zarchi Ali , Chitsaz Hamidreza , Salekdeh Ghasem Hosseini , Moosavi-Movahedi Ali Akbar
Published: June 2017

The human protein disulfide isomerase (hPDI), is an essential four-domain multifunctional enzyme. As a result of disulfide shuffling in its terminal domains, hPDI exists in two oxidation states with different conformational preferences which are important for substrate binding and functional activities. Here, we address the redox-dependent conformational dynamics of hPDI through molecular dynamics (MD) simulations. Collective domain motions are identified by the principal component analysis of MD trajectories and redox-dependent opening-closing structure variations are highlighted on projected free energy landscapes. Then, important structural features that exhibit considerable differences in dynamics of redox states are extracted by statistical machine learning methods. Mapping the structural variations to time series of residue interaction networks also provides a holistic representation of the dynamical redox differences. With emphasizing on persistent long-lasting interactions, an approach is proposed that compiled these time series networks to a single dynamic residue interaction network (DRIN). Differential comparison of DRIN in oxidized and reduced states reveals chains of residue interactions that represent potential allosteric paths between catalytic and ligand binding sites of hPDI.
Burden of sleep disturbances and associated risk factors: A cross-sectional survey among HIV-infected persons on antiretroviral therapy across China
Authors: Huang Xiaojie , Li Huiqin , Meyers Kathrine , Xia Wei , Meng Zhihao , Li Chongxi , Bai Jinsong , He Shenghua , Cai Weiping , Huang Chengyu , Liu Shuiqing , Wang Hui , Ling Xuemei , Ma Ping , Tan Daling , Wang Fuxiang , Ruan Lianguo , Zhao Hongxin , Wei Hongxia , Liu Yanfen , Yu Jianhua , Lu Hongzhou , Wang Min , Zhang Tong , Chen Hui , Wu Hao
Published: June 2017

This study evaluated the prevalence and factors associated with sleep disturbance in a large cohort of HIV-infected patients across China. A cross-sectional study was conducted among HIV-infected patients on antiretroviral therapy at 20 AIDS clinics. The Pittsburgh Sleep Quality Index was self-administered by subjects. Socio-demographic characteristics, medical history and HIV-related clinical data were collected. 4103 patients had complete data for analysis. Sleep disturbances were observed in 43.1% of patients. Associated factors in multivariable analysis included psychological factors: anxiety (odds ratio [OR], 3.13; 95% confidence interval [CI], 2.44–4.00; P < 0.001), depression (OR, 2.09; 95% CI, 1.70–2.57; P < 0.001), and both anxiety and depression (OR, 5.90; 95% CI, 4.86–7.16; P < 0.001); sociodemographic factors: MSM (OR, 1.26; 95% CI, 1.04–1.52; P﻿ = 0.018), being single (OR, 1.45; 95%CI 1.21–1.74; P < 0.001), higher education (OR, ﻿1.25; 95% CI, 1.03–1.53; P = 0.025)﻿; and clinical factors: suboptimal adherence (OR,1.51; 95% CI,1.23–1.85; P < 0.001), regimen-switching (OR, 1.94; 95% CI, 1.12–3.35; P = 0.018), and antidepressant use (OR, 1.98; 95% CI, 1.47–2.67; P = 0.044). Prevalence of sleep disturbance is high in this large Chinese cohort. Associated factors appear related to psychological and social-demographic factors. Health workers may consider routinely assessing sleep disturbances among HIV-infected patients, especially in the first three months after HIV diagnosis, and referring for mental health services, which may positively impact adherence to treatment.
Comparative transcriptomic and proteomic analyses provide insights into the key genes involved in high-altitude adaptation in the Tibetan pig
Authors: Zhang Bo , Chamba Yangzom , Shang Peng , Wang Zhixiu , Ma Jun , Wang Liyuang , Zhang Hao
Published: June 2017

Tibetan pigs that inhabit the Tibetan Plateau exhibit striking phenotypic and physiological differences from lowland pigs, and have adapted well to extreme conditions. However, the mechanisms involved in regulating gene expression at high altitude in these animals are not fully understood. In this study, we obtained transcriptomic and proteomic data from the heart tissues of Tibetan and Yorkshire pigs raised in the highlands (TH and YH) and lowlands (TL and YL) via RNA-seq and iTRAQ (isobaric tags for relative and absolute quantitation) analyses, respectively. Comparative analyses of TH vs. YH, TH vs.TL, TL vs. YL, and YH vs. YL yielded 299, 169, 242, and 368 differentially expressed genes (DEGs), and 473, 297, 394, and 297 differentially expressed proteins (DEPs), respectively. By functional annotation of these DEGs and DEPs, genes that were enriched in the HIF-1 signaling pathway (NPPA, ERK2, ENO3, and EGLN3), VEGF signaling pathway (ERK2, A2M, FGF1, CTGF, and DPP4), and hypoxia-related processes (CRYAB, EGLN3, TGFB2, DPP4, and ACE) were identified as important candidate genes for high-altitude adaptation in the Tibetan pig. This study enhances our understanding of the molecular mechanisms involved in hypoxic adaptation in pigs, and furthers our understanding of human hypoxic diseases.
Prediction of lncRNA-protein interactions using HeteSim scores based on heterogeneous networks
Authors: Xiao Yun , Zhang Jingpu , Deng Lei
Published: June 2017

Massive studies have indicated that long non-coding RNAs (lncRNAs) are critical for the regulation of cellular biological processes by binding with RNA-related proteins. However, only a few experimentally supported lncRNA-protein associations have been reported. Existing network-based methods are typically focused on intrinsic features of lncRNA and protein but ignore the information implicit in the topologies of biological networks associated with lncRNAs. Considering the limitations in previous methods, we propose PLPIHS, an effective computational method for Predicting lncRNA-Protein Interactions using HeteSim Scores. PLPIHS uses the HeteSim measure to calculate the relatedness score for each lncRNA-protein pair in the heterogeneous network, which consists of lncRNA-lncRNA similarity network, lncRNA-protein association network and protein-protein interaction network. An SVM classifier to predict lncRNA-protein interactions is built with the HeteSim scores. The results show that PLPIHS performs significantly better than the existing state-of-the-art approaches and achieves an AUC score of 0.97 in the leave-one-out validation test. We also compare the performances of networks with different connectivity density and find that PLPIHS performs well across all the networks. Furthermore, we use the proposed method to identify the related proteins for lncRNA MALAT1. Highly-ranked proteins are verified by the biological studies and demonstrate the effectiveness of our method.
Revealing protein networks and gene-drug connectivity in cancer from direct information
Authors: Jiang Xian-Li , Martinez-Ledesma Emmanuel , Morcos Faruck
Published: June 2017

The connection between genetic variation and drug response has long been explored to facilitate the optimization and personalization of cancer therapy. Crucial to the identification of drug response related genetic features is the ability to separate indirect correlations from direct correlations across abundant datasets with large number of variables. Here we analyzed proteomic and pharmacogenomic data in cancer tissues and cell lines using a global statistical model connecting protein pairs, genes and anti-cancer drugs. We estimated this model using direct coupling analysis (DCA), a powerful statistical inference method that has been successfully applied to protein sequence data to extract evolutionary signals that provide insights on protein structure, folding and interactions. We used Direct Information (DI) as a metric of connectivity between proteins as well as gene-drug pairs. We were able to infer important interactions observed in cancer-related pathways from proteomic data and predict potential connectivities in cancer networks. We also identified known and potential connections for anti-cancer drugs and gene mutations using DI in pharmacogenomic data. Our findings suggest that gene-drug connections predicted with direct couplings can be used as a reliable guide to cancer therapy and expand our understanding of the effects of gene alterations on drug efficacies.
Fast Projection Matching for X-ray Tomography
Authors: Wang Chun-Chieh , Chiang Cheng-Cheng , Liang Biqing , Yin Gung-Chian , Weng Yi-Tse , Wang Liang-Chi
Published: June 2017

X-ray 3D tomographic techniques are powerful tools for investigating the morphology and internal structures of specimens. A common strategy for obtaining 3D tomography is to capture a series of 2D projections from different X-ray illumination angles of specimens mounted on a finely calibrated rotational stage. However, the reconstruction quality of 3D tomography relies on the precision and stability of the rotational stage, i.e. the accurate alignment of the 2D projections in the correct three-dimensional positions. This is a crucial problem for nano-tomographic techniques due to the non-negligible mechanical imperfection of the rotational stages at the nanometer level which significantly degrades the spatial resolution of reconstructed 3-D tomography. Even when using an X-ray micro-CT with a highly stabilized rotational stage, thermal effects caused by the CT system are not negligible and may cause sample drift. Here, we propose a markerless image auto-alignment algorithm based on an iterative method. This algorithm reduces the traditional projection matching method into two simplified matching problems and it is much faster and more reliable than traditional methods. This algorithm can greatly decrease hardware requirements for both nano-tomography and data processing and can be easily applied to other tomographic techniques, such as X-ray micro-CT and electron tomography.
Metabolic fingerprinting of bacteria by fluorescence lifetime imaging microscopy
Authors: Bhattacharjee Arunima , Datta Rupsa , Gratton Enrico , Hochbaum Allon I.
Published: June 2017

Bacterial populations exhibit a range of metabolic states influenced by their environment, intra- and interspecies interactions. The identification of bacterial metabolic states and transitions between them in their native environment promises to elucidate community behavior and stochastic processes, such as antibiotic resistance acquisition. In this work, we employ two-photon fluorescence lifetime imaging microscopy (FLIM) to create a metabolic fingerprint of individual bacteria and populations. FLIM of autofluorescent reduced nicotinamide adenine dinucleotide (phosphate), NAD(P)H, has been previously exploited for label-free metabolic imaging of mammalian cells. However, NAD(P)H FLIM has not been established as a metabolic proxy in bacteria. Applying the phasor approach, we create FLIM-phasor maps of Escherichia coli, Salmonella enterica serovar Typhimurium, Pseudomonas aeruginosa, Bacillus subtilis, and Staphylococcus epidermidis at the single cell and population levels. The bacterial phasor is sensitive to environmental conditions such as antibiotic exposure and growth phase, suggesting that observed shifts in the phasor are representative of metabolic changes within the cells. The FLIM-phasor approach represents a powerful, non-invasive imaging technique to study bacterial metabolism in situ and could provide unique insights into bacterial community behavior, pathology and antibiotic resistance with sub-cellular resolution.
Long Sleep Duration Is an Independent Risk Factor for Incident Atrial Fibrillation in a Chinese Population: A Prospective Cohort Study
Authors: Song Qiaofeng , Liu Xiaoxue , Hu Wanning , Zhou Wenhua , Liu Aijuan , Wang Xizhu , Wu Shouling
Published: June 2017

There is limited information on the relation between sleep duration and incident atrial fibrillation. We aimed to investigate this association in a Chinese population using cohort data from a study in Kailuan. The analysis included 87,693 participants (age range, 18–98 years) free of atrial fibrillation at the baseline survey. Participants were divided into three categories according to self-reported sleep duration: ≤6.0 hours, 7 hours (ref), ≥8.0 hours. Atrial fibrillation diagnosis was made on a standard 12-lead electrocardiogram and via self-reported history. Cox proportional hazards models were used to calculate hazard ratio (HR) and confidence interval (CI) for atrial fibrillation, according to sleep duration. During median follow-up of 7.89 (range, 6.36–8.57) years, 322 cases of atrial fibrillation had occurred. Using 7 hours of sleep as the reference group, multivariable adjusted HRs (95% CI) for atrial fibrillation were 1.07 (0.75–1.53), 1.0 (ref), and 1.50 (1.07–2.10), from lowest to highest category of sleep duration. Secondary analysis showed no evidence of interactions between sleep duration and sex and snoring on the risk of incident atrial fibrillation (p = 0.75/0.25). We conclude long sleep duration may be a potential predictor/marker for incident atrial fibrillation.
Optimisation of in vitro sample preparation for LC-MS metabolomics applications on HepaRG cell cultures
Authors: Cuykx Matthias , Mortelé Olivier , Rodrigues Robim M. , Vanhaecke Tamara , Covaci Adrian
Published: June 2017

The addition of stabilizers during liquid–liquid extraction improves the precision of untargeted LC-MS metabolomics workflows.
Drug screening method development for paper spray coupled to a triple quadrupole mass spectrometer
Authors: Jett Rachel , Skaggs Christine , Manicke Nicholas E.
Published: June 2017

Paper spray mass spectrometry is a direct analysis method in which compounds are extracted and ionized from biofluids dried on paper.
Glutathione-S-transferase-catalyzed reaction of glutathione for electrochemical biosensing of temephos, fenobucarb and dimethoate
Authors: Borah Himadri , Dutta Rekha Rani , Gogoi Sudarshan , Medhi Tapas , Puzari Panchanan
Published: June 2017

This study describes a sensitive bio-electrochemical detection method for extensively used toxic organothiophosphate pesticides temephos and dimethoate, and organocarbamate fenobucarb, by employing a simple mediatorless cyclic voltammetric technique.
Dispersible oxygen microsensors map oxygen gradients in three-dimensional cell cultures
Authors: Lesher-Pérez Sasha Cai , Kim Ge-Ah , Kuo Chuan-hsien , Leung Brendan M. , Mong Sanda , Kojima Taisuke , Moraes Christopher , Thouless M. D. , Luker Gary D. , Takayama Shuichi
Published: June 2017

Oxygen measurements in different microtissue culture environments were accomplished with the use of phase fluorimetry on dispersible oxygen microsensors.
Cross-impact of surface and interaction anisotropy in the self-assembly of organic adsorption monolayers: a Monte Carlo and transfer-matrix study
Authors: Gorbunov V. A. , Akimenko S. S. , Myshlyavtsev A. V.
Published: June 2017

We have theoretically studied the features of self-assembly in organic adsorption layers where both “molecule–surface” and “molecule–molecule” interactions are anisotropic.
Determination of bending rigidity and tilt modulus of lipid membranes from real-space fluctuation analysis of molecular dynamics simulations
Authors: Doktorova M. , Harries D. , Khelashvili G.
Published: June 2017

Computational methodology that allows to extract bending rigidity and tilt modulus for a wide range of single and multi-component lipid bilayers from real-space analysis of fluctuations in molecular dynamics simulations.
Novel tunable green-red-emitting oxynitride phosphors co-activated with Ce3+, Tb3+, and Eu3+: photoluminescence and energy transfer
Authors: Huo Jiansheng , Dong Langping , Lü Wei , Shao Baiqi , You Hongpeng
Published: June 2017

A novel Ce3+ → Tb3+ → Eu3+ scheme is introduced into Y4SiAlO8N to develop NUV-excitable green and red phosphors.
Correction: Eu2+–Eu3+ valence transition in double, Eu-, and Na-doped PbSe from transport, magnetic, and electronic structure studies
Authors: Wiendlocha Bartlomiej , Kim SunPhil , Lee Yeseul , He Bin , Lehr Gloria , Kanatzidis Mercouri G. , Morelli Donald T. , Heremans Joseph P.
Published: June 2017

Correction for ‘Eu2+–Eu3+ valence transition in double, Eu-, and Na-doped PbSe from transport, magnetic, and electronic structure studies’ by Bartlomiej Wiendlocha et al., Phys. Chem. Chem. Phys., 2017, 19, 9606–9616.
Coordination behavior of bis-phenolate saturated and unsaturated N-heterocyclic carbene ligands to zirconium: reactivity and activity in the copolymerization of cyclohexene oxide with CO2
Authors: Lalrempuia Ralte , Breivik Frida , Törnroos Karl W. , Le Roux Erwan
Published: June 2017

Tridentate bis-phenolate saturated and unsaturated NHC zirconium complexes were synthesized and evaluated as precursors for the copolymerization of cyclohexene oxide with CO2.
Enhanced catalytic activity and near room temperature gas sensing properties of SnO2nanoclusters@mesoporous Sn(iv) organophosphonate composite
Authors: Borah Suchibrata , Bhattacharyya Bagmita , Deka Jumi , Borah Aditya , Devi Anuchaya , Deka Dhanapati , Mishra Shashank , Raidongia Kalyan , Gogoi Nayanmoni
Published: June 2017

A simple route for preparing SnO2nanoclusters embedded on mesoporous Sn(iv) organophosphonate framework is described.
Manual assembly of a rare-earth polyoxometalate microcrystal film showing highly polarized luminescence
Authors: Zhang Rui , Qin Libo , Iqbal Arshad , Zhou Yunshan , Zhang Lijuan , Ren Haizhou , Lv Xiaofei , Li Minglei
Published: June 2017

Currently, the realization of rationally designed architectures based on polyoxometalates (POMs) with designed functions has mostly been achieved through the preparation of functional films.
Highly efficient conversion of terpenoid biomass to jet-fuel range cycloalkanes in a biphasic tandem catalytic process
Authors: Yang Xiaokun , Li Teng , Tang Kan , Zhou Xinpei , Lu Mi , Ounkham Whalmany L. , Spain Stephen M. , Frost Brian J. , Lin Hongfei
Published: June 2017

A novel efficient biphasic tandem catalytic process (biTCP) with a high carbon efficiency was developed for synthesizing cycloalkanes that can used to make dense jet fuels from renewable terpenoid biomass (such as 1,8-cineole).
Comment on “Robust scalable high throughput production of monodisperse drops” by E. Amstad, M. Chemama, M. Eggersdorfer, L. R. Arriaga, M. P. Brenner and D. A. Weitz, Lab Chip, 2016, 16, 4163
Authors: Nakajima Mitsutoshi
Published: June 2017

This comment on an article that appeared in Lab on a Chip (Amstad et al., Lab Chip, 2016, 16, 4163–4172) provides information on the performance of microchannel (step) emulsification devices developed by the Nakajima Group.
Pre-concentration by liquid intake by paper (P-CLIP): a new technique for large volumes and digital microfluidics
Authors: Rackus Darius G. , de Campos Richard P. S. , Chan Calvin , Karcz Maria M. , Seale Brendon , Narahari Tanya , Dixon Christopher , Chamberlain M. Dean , Wheeler Aaron R.
Published: June 2017

Pre-concentration by liquid intact by paper (P-CLIP) is a new technique that allows digital microfluidics to handle large volumes of dilute analyte.
Reply to the ‘Comment on “Robust scalable high throughput production of monodisperse drops”’ by M. Nakajima, Lab Chip, 2017, 17, DOI: 10.1039/C7LC00181A
Authors: Amstad E. , Weitz D. A.
Published: June 2017

This reply to the comment by Nakajima highlights the differences between the microchannel step emulsification devices developed by the Nakajima group and the millipede device reported by us in Lab on a Chip.
Dissecting binding of a β-barrel membrane protein by phage display
Authors: Meneghini Luz M. , Tripathi Sarvind , Woodworth Marcus A. , Majumdar Sudipta , Poulos Thomas L. , Weiss Gregory A.
Published: June 2017

Membrane proteins (MPs) contribute to a myriad of cellular functions. Phage-display of the TonB dependent transporter and MP, ShuA, allows its rapid mutagenesis for structure-function studies.
Predicting protein–protein interactions from protein sequences by a stacked sparse autoencoder deep neural network
Authors: Wang Yan-Bin , You Zhu-Hong , Li Xiao , Jiang Tong-Hai , Chen Xing , Zhou Xi , Wang Lei
Published: June 2017

Protein–protein interactions (PPIs) play an important role in most of the biological processes.
Synergistic effect in the heterostructure of ZnCo2O4 and hydrogenated zinc oxide nanorods for high capacitive response
Authors: Deka Boruah Buddha , Maji Arnab , Misra Abha
Published: June 2017

Herein, a novel heterostructure was fabricated by combining electrochemically and optically active materials to achieve a high capacitive response of 896 F g−1 at 5 A g−1.
Exploring the catalytic mechanism of dihydropteroate synthase: elucidating the differences between the substrate and inhibitor
Authors: Chotpatiwetchkul Warot , Boonyarattanakalin Kanokthip , Gleeson Duangkamol , Gleeson M. Paul
Published: June 2017

QM/MM calculations are reported that help elucidate the reaction mechanism of DHPS, a validated antimicrobial and antimalarial target that has become increasingly compromised due to disease resistance.
A supramolecular polymer network gel with stimuli-responsiveness constructed by orthogonal metal ion coordination and pillar[5]arene-based host–guest recognition
Authors: Liu Yuezhou , Shangguan Liqing , Wang Hu , Xia Danyu , Shi Bingbing
Published: June 2017

A novel external stimuli-responsive supramolecular polymer network gel was fabricated by orthogonal Ag-coordination and pillar[5]arene-based host–guest interactions.
Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril
Authors: Qu Yun-Xia , Lin Rui-Lian , Zhang Yun-Qian , Zhou Kai-Zhi , Zhou Qing-Di , Zhu Qian-Jiang , Tao Zhu , Ma Pei-Hua , Liu Jing-Xin , Wei Gang
Published: June 2017

Binding interactions of cyclopentanocucurbit[6]uril (CyP6Q[6]) with a series of alkyl and aryl diammonium ions were investigated. CyP6Q[6] exhibits endo and exo binding modes with the guests, which depends on the size and shape complementarity between the host and the guests.
Transition-metal-free dehydrogenation coupling of pyridinium through a self-promoted hydride transfer process
Authors: Shang Wenbin , Li Shanyong , Ding Yuzhen , Pan Zhiqiang , Tong Xiaogang , Xia Chengfeng
Published: June 2017

An intramolecular dehydrogenation coupling between phenol and pyridinium through a unique substrate self-promoted hydride transfer process has been developed.
Impact of size control of graphene oxide nanosheets for enhancing electrical and mechanical properties of carbon nanotube–polymer composites
Authors: Kim Jeonghwan , Kim Sang Woo , Yun Hongseok , Kim Bumjoon J.
Published: June 2017

The size effects of GOs on the dispersion behavior of multi-walled carbon nanotubes (MWCNTs) were evaluated, and the GOs were exploited to develop conducting film and polymer-CNT composites with excellent electrical and mechanical properties.
Design and development of caffeic acid conjugated with Bombyx mori derived peptide biomaterials for anti-aging skin care applications
Authors: Lee Hoomin , Vilian A. T. Ezhil , Kim Jun Yeong , Chun Myeung Hwan , Suh Jung Sang , Seo Hyo Hyun , Cho Seung Hee , Shin Il Soo , Kim Sung Jun , Park Seok Hoon , Han Young-Kyu , Lee Jeong Hun , Huh Yun Suk
Published: June 2017

This study examined the significant features of caffeic acid conjugated with peptide (APPPKK) to determine if it meets the requirements for a cosmetic anti-aging biomolecule.
A dual pH- and reduction-responsive anticancer drug delivery system based on PEG–SS–poly(amino acid) block copolymer
Authors: Li Bingqiang , Shan Meng , Di Xiang , Gong Chu , Zhang Lihua , Wang Yanming , Wu Guolin
Published: June 2017

A dual pH- and reduction-responsive anticancer drug delivery system was developed by conjugating mPEG with a poly(amino acid) derivative using a disulfide linker.
Coupling effects of strain on structural transformation and bandgap engineering in SnS monolayer
Authors: Zhang Yu , Shang Bo , Li Lingjie , Lei Jinglei
Published: June 2017

Strain effect on the structural properties and bandgap engineering of monolayer SnS.
CuCl/air-mediated oxidative coupling reaction of imidazoheterocycles with N-aryl glycine esters
Authors: Jiao Jing , Zhang Jun-Rong , Liao Yan-Yan , Xu Li , Hu Maolin , Tang Ri-Yuan
Published: June 2017

A novel CuCl/air-mediated oxidative cross-coupling of imidazoheterocycles with glycine esters has been developed.
Efficient synthesis of 5-(chloromethyl)furfural (CMF) from high fructose corn syrup (HFCS) using continuous flow processing
Authors: Kohl T. M. , Bizet B. , Kevan P. , Sellwood C. , Tsanaktsidis J. , Hornung C. H.
Published: June 2017

Demonstrated synthesis of 5-(chloromethyl)furfural (CMF) from both solid sugars and high fructose corn syrup (HFCS) using continuous flow processing.
Thermal charging of supercapacitors: a perspective
Authors: Al-zubaidi Ayar , Ji Xixi , Yu Jie
Published: June 2017

A change in temperature can modify the ion density near the electrode surface, and create a potential difference across a supercapacitor.
Nanoscopic dynamics of bicontinous microemulsions: effect of membrane associated protein
Authors: Sharma V. K. , Hayes Douglas G. , Urban Volker S. , O’Neill Hugh M. , Tyagi M. , Mamontov E.
Published: June 2017

In this paper, we discuss effects of membrane associated protein on the lateral and internal motions of bicontinous microemulsions as investigated using quasielastic neutron scattering.
Adjusting the electronic structure by Ni incorporation: a generalized in situ electrochemical strategy to enhance water oxidation activity of oxyhydroxides
Authors: Liang Yu , Yu Yifu , Huang Yi , Shi Yanmei , Zhang Bin
Published: June 2017

An in situ electrochemical Ni-incorporating strategy is developed to tailor the electronic structure of β-FeOOH and the as-prepared Ni incorporated β-FeOOH exhibits a high oxygen evolution electrocatalytic performance in alkaline media.
A hybrid electrolyte for long-life semi-solid-state lithium sulfur batteries
Authors: Gu Sui , Huang Xiao , Wang Qing , Jin Jun , Wang Qingsong , Wen Zhaoyin , Qian Rong
Published: June 2017

A hybrid electrolyte prepared using oxide ceramics and fluorinated electrolytes enhances the capacity retention and long-term cycling stability of lithium–sulfur batteries.
Ultra-stretchable ionic nanocomposites: from dynamic bonding to multi-responsive behavior
Authors: Odent J. , Raquez J.-M. , Dubois Ph. , Giannelis E. P.
Published: June 2017

We demonstrate a novel family of multi-responsive materials, i.e. nanocomposites built on ionic interactions, that combine enhanced mechanical performances and reversibility endowed to dynamic systems.
Tailoring the framework composition of carbon nitride to improve the catalytic efficiency of the stabilised palladium atoms
Authors: Vorobyeva E. , Chen Z. , Mitchell S. , Leary R. K. , Midgley P. , Thomas J. M. , Hauert R. , Fako E. , López N. , Pérez-Ramírez J.
Published: June 2017

The C/N ratio of the carbon nitride lattice is tailored by doping with carbon to assess the impact on the stabilisation of palladium atoms and their catalytic efficiency in the selective hydrogenation of 2-methyl-3-butyn-2-ol.
Correction: Multi-porous Co3O4 nanoflakes@sponge-like few-layer partially reduced graphene oxide hybrids: towards highly stable asymmetric supercapacitors
Authors: Qorbani Mohammad , Chou Tsu-chin , Lee Yi-Hsin , Samireddi Satyanarayana , Naseri Naimeh , Ganguly Abhijit , Esfandiar Ali , Wang Chen-Hao , Chen Li-Chyong , Chen Kuei-Hsien , Moshfegh Alireza Z.
Published: June 2017

Correction for ‘Multi-porous Co3O4 nanoflakes@sponge-like few-layer partially reduced graphene oxide hybrids: towards highly stable asymmetric supercapacitors’ by Mohammad Qorbani et al., J. Mater. Chem. A, 2017, DOI: 10.1039/c7ta00694b.
Conducting hydrogels for edible electrodes
Authors: Keller Alex , Pham Jonathan , Warren Holly , in het Panhuis Marc
Published: June 2017

Conducting hydrogels prepared from edible, commercially available materials were shown to function as capacitive pressure sensors.
Resistive electronic skin
Authors: Jason Naveen N. , Ho My D. , Cheng Wenlong
Published: June 2017

Devices made from traditional conductive bulk materials using complex microfabrication methods often are restricted to being rigid and in some cases, flexible but not strethcable.
Significantly improved electromechanical performance of dielectric elastomers via alkyl side-chain engineering
Authors: Mao Jie , Li Tiefeng , Luo Yingwu
Published: June 2017

Dielectric elastomers (DEs) can be deformed in response to an electric field.
Increasing the horizontal orientation of transition dipole moments in solution processed small molecular emitters
Authors: Senes Alessia , Meskers Stefan C. J. , Greiner Horst , Suzuki Katsuaki , Kaji Hironori , Adachi Chihaya , Wilson Joanne S. , Janssen René A. J.
Published: June 2017

The transition dipole moments of the small molecular emitters in a polyfluorene host matrix align strongly in the plane of the film, when deposited from solution and even more when thermally annealed.
Cosmological constraints on the neutrino mass including systematic uncertainties
Authors: Couchot F. , Henrot-Versillé S. , Perdereau O. , Plaszczynski S. , Rouillé d’Orfeuil B. , Spinelli M. , Tristram M.
Published: June 2017

When combining cosmological and oscillations results to constrain the neutrino sector, the question of the propagation of systematic uncertainties is often raised. We address this issue in the context of the derivation of an upper bound on the sum of the neutrino masses (Σmν) with recent cosmological data. This work is performed within the ΛCDM model extended to Σmν, for which we advocate the use of three mass-degenerate neutrinos. We focus on the study of systematic uncertainties linked to the foregrounds modelling in cosmological microwave background (CMB) data analysis, and on the impact of the present knowledge of the reionisation optical depth. This is done through the use of different likelihoods built fromPlanckdata. Limits on Σmνare derived with various combinations of data, including the latest baryon acoustic oscillations (BAO) and Type Ia supernovae (SNIa) results. We also discuss the impact of the preference for current CMB data for amplitudes of the gravitational lensing distortions higher than expected within the ΛCDM model, and add thePlanckCMB lensing. We then derive a robust upper limit: Σmν< 0.17 eV at 95% CL, including 0.01eV of foreground systematics. We also discuss the neutrino mass repartition and show that today’s data do not allow one to disentangle normal from inverted hierarchy. The impact on the other cosmological parameters is also reported, for different assumptions on the neutrino mass repartition, and different high and low multipole CMB likelihoods.
REBCO tape performance under high magnetic field
Authors: Benkel Tara , Miyoshi Yasuyuki , Chaud Xavier , Badel Arnaud , Tixador Pascal
Published: June 2017

New improvements in high temperature superconductors (HTS) make them a promising candidate for building the next generation of high field magnets. As the conductors became recently available in long length, new projects such as NOUGAT (new magnet generation to generate Tesla at low cost) were started. This project aims at designing and building an HTS magnet prototype generating 10 T inside a 20 T resistive magnet. In this configuration, severe mechanical stress is applied on the insert and its extremities are subject to a high transverse component of the field. Because the conductor has anisotropic properties, it has to be studied carefully under similar conditions as the final prototype. First, this paper presents both the NOUGAT project and its context. Then, it shows the experimental results on short HTS tapes studied under high magnetic field up to 23 T with varying orientation. These results allow validating the current margin of the prototype. Finally, a first wound prototype is presented with experimental results up to 200 A under 16 T.
Bi-objective optimization models for network interdiction
Authors: Chen Yan , Guo Cheng , Yu Shenghan
Published: June 2017

This paper designs models for the network interdiction problem. The interdiction problem under study has two contradicting goals: disrupting the network to minimize the profit of one set of agents, while as much as possible preserve the profit of another set of agents. Three bi-objective optimization methods are employed to form the optimal objectives. Also, we develop two formulations (MILP and multi-stage LP) used to deal with congestion cost which is a piecewise cost function. A numerical instance is also presented to better illustrate those models.
Endoscopic-Assisted Intraoral Open Reduction Internal Fixation of Mandibular Subcondylar Fractures: Initial Experiences from a Tertiary-Care Maxillofacial Center in India
Authors: Anehosur Venkatesh , Joshi Abhijit , Rajendiran Saravanan
Published: June 2017

Management of condylar fractures is a highly controversial and debatable area. Open reduction and internal fixation (ORIF) using an extraoral approach has certain benefits over the nonsurgical treatment. Risk of damage to the facial nerve and an extraoral scar remains constant deterrents. An endoscopic-assisted ORIF offers an intraoral approach, thus eliminating consequences such as scarring. Though this technique offers unparalleled advantages, it is associated with a steep learning curve. Surgical results improve only with patience and experience. Patients with condylar fractures reported to SDM Craniofacial Unit, Dharwad, India, from 2013 to 2015 are included. Patients were treated with endoscopic-assisted ORIF and were evaluated for functional outcomes that included occlusion, maximal interincisal opening, and deviation of mouth and complications such as facial nerve pareses, postsurgical infection, and morbidity. Fifteen patients included in the study: 4 left sided and 11 right sided fractures. Nine patients had associated other mandibular fracture. Mean age of the patients was 28.2 years. Mean mouth opening at the end of 1 week, 6 weeks, and 6 months was 32.6, 37.8, and 40.5 mm, respectively. Transient facial nerve pareses were noted in one patient, and an extraoral draining sinus was noted in another. Endoscopic-assisted ORIF has a definite scope in management of condylar fractures. Results are more predictable with appropriate case selection due to a steep learning curve and intraoperative technical challenges. An initial experience in ORIF using extraoral approaches would greatly benefit a surgeon in utilizing this novel and alternate tool.
Abnormal Uterine Bleeding
Authors: Benetti-Pinto Cristina Laguna , Rosa-e-Silva Ana Carolina Japur de Sá , Yela Daniela Angerame , Soares Júnior José Maria
Published: June 2017

Abnormal uterine bleeding is a frequent condition in Gynecology. It may impact physical, emotional sexual and professional aspects of the lives of women, impairing their quality of life. In cases of acute and severe bleeding, women may need urgent treatment with volumetric replacement and prescription of hemostatic substances. In some specific cases with more intense and prolonged bleeding, surgical treatment may be necessary. The objective of this chapter is to describe the main evidence on the treatment of women with abnormal uterine bleeding, both acute and chronic. Didactically, the treatment options were based on the current International Federation of Gynecology and Obstetrics (FIGO) classification system (PALM-COEIN). The etiologies of PALM-COEIN are: uterine Polyp (P), Adenomyosis (A), Leiomyoma (L), precursor and Malignant lesions of the uterine body (M), Coagulopathies (C), Ovulatory dysfunction (O), Endometrial dysfunction (E), Iatrogenic (I), and Not yet classified (N). The articles were selected according to the recommendation grades of the PubMed, Cochrane and Embase databases, and those in which the main objective was the reduction of uterine menstrual bleeding were included. Only studies written in English were included. All editorial or complete papers that were not consistent with abnormal uterine bleeding, or studies in animal models, were excluded. The main objective of the treatment is the reduction of menstrual flow and morbidity and the improvement of quality of life. It is important to emphasize that the treatment in the acute phase aims to hemodynamically stabilize the patient and stop excessive bleeding, while the treatment in the chronic phase is based on correcting menstrual dysfunction according to its etiology and clinical manifestations. The treatment may be surgical or pharmacological, and the latter is based mainly on hormonal therapy, anti-inflammatory drugs and antifibrinolytics.
Etiology and Perinatal Outcome of Nonimmune Hydrops Fetalis in Southern China
Authors: He Sheng , Wang Linlin , Pan Pingshan , Wei Hongwei , Meng Dahua , Du Juan , Tian Xiaoxian , Zheng Chenguang , Qiu Xiaoxia , Luo Guoyang
Published: June 2017

Objective This study aims to analyze the etiology and perinatal outcome of nonimmune hydrops fetalis (NIHF) in Southern China.

Methods All cases with NIHF diagnosed antenatally from January 1, 2007 to December 31, 2014 were identified and analyzed.

Results Total 482 cases of NIHF were identified during the study period. The most common cause of NIHF was hemoglobin (Hb) Bart's disease (61.8%), followed by chromosomal abnormalities (13.5%), idiopathic etiology (13.1%), cardiac abnormalities (6.4%), and others (5.2%). After 20 weeks' gestation, a total of 408 cases of NIHF presented, including Hb Bart's disease (279 cases), cardiac abnormalities (27 cases), and infection (7 cases). NIHF caused by chromosomal abnormalities mainly presented between 15 and 19 weeks' gestation. Of the 482 cases, 459 cases elected termination of pregnancy. The remaining 23 cases elected to continue their pregnancy. Among them, 14 (60.9%) resulted in intrauterine fetal death, 6 had neonatal death, 3 infants survived to 1 year of age. Of the three infants, one has cerebral palsy, and the remaining two are normal.

Conclusions Hb Bart's disease is the most common cause of NIHF in Southern China. An effective prenatal screening and counseling program for thalassemia in this region may be the most effective way to lower the incidence NIHF.
Zahnärztliche Implantologie im Spiegel der aktuellen Leitlinien
Authors: Brauer Hans , Wanner Laura , Fretwurst Tobias
Published: June 2017

Im Modell einer patientenzentrierten Wissenschaftlichkeit leisten zahnärztliche Leitlinien einen entscheidenden Impuls zur Qualitätsverbesserung in der zahnmedizinischen Versorgung. In diesem Beitrag werden daher die aktuellen AWMF-Leitlinien im Fachbereich der oralen Implantologie skizziert und die für den niedergelassenen Zahnarzt besonders relevante S3-Leitlinie zur Therapie der periimplantären Mukositis und Periimplantitis ausführlicher vorgestellt sowie die Leitlinien zu Zahnimplantaten bei Diabetes mellitus und bei medikamentöser Behandlung mit Knochenantiresorptiva (inkl. Bisphoshonate) kurz vorgestellt.
Phonochirurgie – eine retrospektive Analyse von 400 Eingriffen
Authors: Reiter Rudolf , Hoffmann Thomas
Published: June 2017

Einleitung Stimmstörungen sind u. a. durch Pseudotumore der Stimmlippen oder durch Stimmlippenparesen mit inkomplettem Glottisschluss
bedingt und können eine phonochirurgische Therapie erfordern. Es sollten derartige Eingriffe hinsichtlich postoperativem Stimmergebnis und
Sicherheit des Verfahrens analysiert werden.

Methode Im Rahmen einer retrospektiven Analyse von 400 konsekutiven phonochirurgischen Eingriffen wurden folgende Parameter erfasst:
Verteilung der Pathologien, Einschätzung der Stimmqualität 6 Wochen nach dem chirurgischen Eingriff im Vergleich zu präoperativ durch den
Patienten und Untersucher (RBH-System), Videolaryngostroboskopie, Komplikationen und histologisches Ergebnis.

Ergebnisse Im Kollektiv dominierten Stimmlippenpolypen (36 %), -zysten (12 %) und -paresen (10 %). Nach dem Eingriff verbesserte sich
die Stimmqualität in 90 % der Fälle.

Bei 14 % war aufgrund einer Fehlkompensation eine postoperative Stimmtherapie erforderlich. Nach einer Stimmlippenaugmentation entwickelten
sich je in einem Fall ein Larynxödem und eine temporäre Stimmlippenparese der Gegenseite. Die histologische Aufarbeitung erbrachte als
Zufallsbefund einen malignen osteoklastären Riesenzelltumor, einen Granularzelltumor und ein Carcinoma in situ der Stimmlippe, welche einer
weiterführenden chirurgischen Behandlung und Kontrollen zugeführt werden musste.

Diskussion Die mikrolaryngoskopische Phonochirurgie ist ein sicheres und effektives Therapieverfahren. Die histologische Aufarbeitung
ist auch bei makroskopisch primär unsuspekten Tumoren sinnvoll, damit seltene Tumorentitäten oder Malignome nicht übersehen werden. Eine
postoperative Observation ist zur frühzeitigen Erkennung und Behandlung von Komplikationen wie Larynxschwellung oder Stimmlippenparese
anzuraten.
Wind tunnel study of the wind turbine interaction with a boundary-layer flow: Upwind region, turbine performance, and wake region
Authors: Bastankhah M. , Porté-Agel F.
Published: June 2017

Comprehensive wind tunnel experiments were carried out to study the interaction of a turbulent boundary layer with a wind turbine operating under different tip-speed ratios and yaw angles. Force and power measurements were performed to characterize the variation of thrust force (both magnitude and direction) and generated power of the wind turbine under different operating conditions. Moreover, flow measurements, collected using high-resolution particle-image velocimetry as well as hot-wire anemometry, were employed to systematically study the flow in the upwind, near-wake, and far-wake regions. These measurements provide new insights into the effect of turbine operating conditions on flow characteristics in these regions. For the upwind region, the results show a strong lateral asymmetry under yawed conditions. For the near-wake region, the evolution of tip and root vortices was studied with the use of both instantaneous and phase-averaged vorticity fields. The results suggest that the vortex breakdown position cannot be determined based on phase-averaged statistics, particularly for tip vortices under turbulent inflow conditions. Moreover, the measurements in the near-wake region indicate a complex velocity distribution with a speed-up region in the wake center, especially for higher tip-speed ratios. In order to elucidate the meandering tendency of far wakes, particular focus was placed on studying the characteristics of large turbulent structures in the boundary layer and their interaction with wind turbines. Although these structures are elongated in the streamwise direction, their cross sections are found to have a size comparable to the rotor area, so that they can be affected by the presence of the turbine. In addition, the study of spatial coherence in turbine wakes reveals that any statistics based on streamwise velocity fluctuations cannot provide reliable information about the size of large turbulent structures in turbine wakes due to the effect of wake meandering. The results also suggest that the magnitude of wake meandering does not depend on turbine-operating conditions. Finally, the suitability of the proper orthogonal decomposition for studying wake meandering is examined.
A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy
Authors: Karsten Sven , Bokarev Sergey I. , Aziz Saadullah G. , Ivanov Sergei D. , Kühn Oliver
Published: June 2017

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.
Three sources of errors in the Ehrenfest treatment of inelastic scattering and possible ways of resolving them
Authors: Semenov Alexander , Babikov Dmitri
Published: June 2017

In order to identify the origin of possible errors in the mixed quantum/classical approach to inelastic scattering [A. Semenov and D. Babikov, J. Chem. Phys. 140, 044306 (2014) and A. Semenov, M.-L. Dubernet, and D. Babikov, J. Chem. Phys. 141, 114304 (2014)], a simplified model is considered that consists of one intermolecular degree of freedom and two intramolecular states, coupled by a simple potential. For this system, analytic derivations are carried out to determine (i) the exact quantum mechanical solution of the inelastic scattering problem, (ii) a simplified version of it with all oscillatory terms neglected, and (iii) the Ehrenfest solution in which the translational motion is described by the mean-field trajectory while the internal molecular motion is treated by the time-dependent Schrodinger equation. It is shown that the appropriate choice of velocity for the mean-field trajectory permits to enforce microscopic reversibility and gives results in excellent agreement with full-quantum results. The average velocity method of Billing is rigorously derived as a limiting case (of this more general approach), when reversibility is enforced locally, at the initial moment of time only. It is demonstrated that errors of state-to-state transition probabilities in the Ehrenfest approach occur at lower values of total energy E if the magnitudes of excitation energy ΔE, potential energy difference between the two states ΔV, and coupling of two states V12 are large. Possible ways of applying this concept to rotational transitions in real molecules are explored, using examples from CO + CO inelastic scattering.