bluuebunny/crossref_metadata_2025 huggingface dataset:
Leveraging multiple genomic data to prioritize disease-causing indels from exome sequencing data
Authors: Wu Mengmeng , Chen Ting , Jiang Rui
Published: May 2017

The emergence of exome sequencing in recent years has enabled rapid and cost-effective detection of genetic variants in coding regions and offers a great opportunity to combine sequencing experiments with subsequent computational analysis for dissecting genetic basis of human inherited diseases. However, this strategy, though successful in practice, still faces such challenges as limited sample size and substantial number or diversity of candidate variants. To overcome these obstacles, researchers have been concentrated in the development of advanced computational methods and have recently achieved great progress for analysing single nucleotide variant. Nevertheless, it still remains unclear on how to analyse indels, another type of genetic variant that accounts for substantial proportion of known disease-causing variants. In this paper, we proposed an integrative method to effectively identify disease-causing indels from exome sequencing data. Specifically, we put forward a statistical method to combine five functional prediction scores, four genic association scores and a genic intolerance score to produce an integrated p-value, which could then be used for prioritizing candidate indels. We performed extensive simulation studies and demonstrated that our method achieved high accuracy in uncovering disease-causing indels. Our software is available at http://bioinfo.au.tsinghua.edu.cn/jianglab/IndelPrioritizer/.
Indirect meta-analysis comparing clinical outcomes of total cervical disc replacements with fusions for cervical degenerative disc disease
Authors: Xu Bin , Ma Jian-xiong , Tian Jin-hui , Ge Long , Ma Xin-long
Published: May 2017

Anterior cervical discectomy and fusion (ACDF) and total cervical disc replacement (TDR) are considered effective treatments for patients with cervical degenerative disc disease (CDDD). An indirect meta-analysis including 19 randomized controlled trials (5343 patients) was conducted to compare the clinical outcomes of ACDF with TDR. Primary outcomes including functional indicators (NDI [neck disability index] score, neurological success and patient satisfaction), secondary outcomes including surgical outcomes (operation time, blood loss and length of stay) and secondary surgical procedures (secondary surgery at an adjacent level, secondary surgery at the index level, secondary surgery at both levels, removal, reoperation, revision and supplemental fixation) were included in the study. TDR using the Bryan disc was associated with a greater improvement in NDI score than ACDF (MD = −5.574, 95% CrIs [credible intervals] −11.73–−0.219). For neurological success, the Bryan (odds ratio [OR] = 0.559, 95% CrIs 0.323–0.955) and Prestige (OR = 0.474, 95% CrIs 0.319–0.700) discs were superior to ACDF. However, no differences in the patient satisfaction rate were shown between TDR and ACDF. For patients with CDDD, ACDF using allograft and a plate is most effective for determining the surgical parameters. Moreover, TDR using the ProDisc-C, Mobi-C, Prestige and Bryan discs are good choices for improving functional outcomes and reducing secondary surgeries.
WISP1/CCN4 inhibits adipocyte differentiation through repression of PPARγ activity
Authors: Ferrand Nathalie , Béreziat Véronique , Moldes Marthe , Zaoui Maurice , Larsen Annette K. , Sabbah Michèle
Published: May 2017

WISP1 (Wnt1-inducible signaling pathway protein-1, also known as CCN4) is a member of the CCN family able to mediate cell growth, transformation and survival in a tissue-specific manner. Here, we report that WISP1 expression was highly increased in preadipocytes and decreased during adipocyte differentiation. Moreover, we observed an increase in WISP1 gene expression in adipose tissue from both diet-induced and leptin-deficient ob/ob obese mice, suggesting that WISP1 could be involved in the pathophysiological onset of obesity. Interestingly, overexpression of WISP1 in 3T3-F442A cells prevented adipocyte differentiation via downregulation of peroxisome proliferator-activated receptor (PPARγ) transcriptional activity thereby attenuating the expression of adipogenic markers. Conversely, silencing of WISP1 enhanced adipocyte differentiation. We further show that the inactivation of PPARγ transcriptional activity was mediated, at least in part, by a direct physical association between WISP1 and PPARγ, followed by proteasome-dependent degradation of PPARγ. These results suggest for the first time that WISP1 interacts with PPARγ and that this interaction results in the inhibition of PPARγ activity. Taken together our results suggest that WISP1 functions as a negative regulator of adipogenesis.
Controlling magnetic transition of monovacancy graphene by shear distortion
Authors: Gao Fei , Gao Shiwu
Published: May 2017

The effect of shear distortion on the vacancy induced magnetism in graphene is investigated using extensive first-principles calculations. It is found that shear distortion can lead to magnetic transition between two states with high and low magnetic moments. Such a transition is reversible and results from the breaking of the in-plane symmetry of the local atoms, which reverses spin polarization of the π bands of the vacancy states near the Fermi level and leads to the change of magnetic transition by 1 µB. This finding opens the possibility for nanomechanical control of graphene magnetism and has potential applications in spintronics and magnetic sensing.
An ancient selective sweep linked to reproductive life history evolution in sockeye salmon
Authors: Veale Andrew J. , Russello Michael A.
Published: May 2017

Study of parallel (or convergent) phenotypic evolution can provide important insights into processes driving sympatric, ecologically-mediated divergence and speciation, as ecotype pairs may provide a biological replicate of the underlying signals and mechanisms. Here, we provide evidence for a selective sweep creating an island of divergence associated with reproductive behavior in sockeye salmon (Oncorhynchus nerka), identifying a series of linked single nucleotide polymorphisms across a ~22,733 basepair region spanning the leucine-rich repeat-containing protein 9 gene exhibiting signatures of divergent selection associated with stream- and shore-spawning in both anadromous and resident forms across their pan-Pacific distribution. This divergence likely occurred ~3.8 Mya (95% HPD = 2.1–6.03 Mya), after sockeye separated from pink (O. gorbuscha) and chum (O. keta) salmon, but prior to the Pleistocene glaciations. Our results suggest recurrent evolution of reproductive ecotypes across the native range of O. nerka is at least partially associated with divergent selection of pre-existing genetic variation within or linked to this region. As sockeye salmon are unique among Pacific salmonids in their flexibility to spawn in lake-shore benthic environments, this region provides great promise for continued investigation of the genomic basis of O. nerka life history evolution, and, more broadly, for increasing our understanding of the heritable basis of adaptation of complex traits in novel environments.
Partial microduplication in the histone acetyltransferase complex member KANSL1 is associated with congenital heart defects in 22q11.2 microdeletion syndrome patients
Authors: León Luis E. , Benavides Felipe , Espinoza Karena , Vial Cecilia , Alvarez Patricia , Palomares Mirta , Lay-Son Guillermo , Miranda Macarena , Repetto Gabriela M.
Published: May 2017

22q11.2 microdeletion syndrome (22q11.2DS) is the most common microdeletion disorder in humans, with an incidence of 1/4000 live births. It is caused by a heterozygous deletion of 1.5–3 Mb on chromosome region 22q11.2. Patients with the deletion present features that include neuropsychiatric problems, craniofacial abnormalities and cardiovascular malformations. However, the phenotype is highly variable and the factors related to the clinical heterogeneity are not fully understood. About 65% of patients with 22q11.2DS have congenital heart defects (CHD). The main goal of this study was to identify common CNVs in 22q11.2DS patients that could be associated with the incomplete penetrance of CHD. Analysis of genomic DNA from 253 patients with 22q11.2DS using array technology showed an association between a microduplication located in region 17q21.31 and CHD (p-value = 0.023, OR = 2.75, 95% CI = 1.17–7.03). This region includes the first three exons of KANSL1 gene. Bioinformatic analysis showed that KANSL1 and CRKL, a gene in the commonly deleted region of 22q11.2DS, are part of the same regulatory module in a miRNA-mRNA network. These results show that a KANSL1 microduplication, in combination with the 22q11.2 deletion, is associated with increased risk of CHD in these patients, suggesting that KANSL1 plays a role as a modifier gene in 22q11.2DS patients.
Direct atomic scale determination of magnetic ion partition in a room temperature multiferroic material
Authors: Keeney Lynette , Downing Clive , Schmidt Michael , Pemble Martyn E. , Nicolosi Valeria , Whatmore Roger W.
Published: May 2017

The five-layer Aurivillius phase Bi6TixFeyMnzO18 system is a rare example of a single-phase room temperature multiferroic material. To optimise its properties and exploit it for future memory storage applications, it is necessary to understand the origin of the room temperature magnetisation. In this work we use high resolution scanning transmission electron microscopy, EDX and EELS to discover how closely-packed Ti/Mn/Fe cations of similar atomic number are arranged, both within the perfect structure and within defect regions. Direct evidence for partitioning of the magnetic cations (Mn and Fe) to the central three of the five perovskite (PK) layers is presented, which reveals a marked preference for Mn to partition to the central layer. We infer this is most probably due to elastic strain energy considerations. The observed increase (>8%) in magnetic cation content at the central PK layers engenders up to a 90% increase in potential ferromagnetic spin alignments in the central layer and this could be significant in terms of creating pathways to the long-range room temperature magnetic order observed in this distinct and intriguing material system.
Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements
Authors: Gantenbein Markus , Wang Lin , Al-jobory Alaa A. , Ismael Ali K. , Lambert Colin J. , Hong Wenjing , Bryce Martin R.
Published: May 2017

Is there a correlation between the (hetero)aromaticity of the core of a molecule and its conductance in a single molecular junction? To address this question, which is of fundamental interest in molecular electronics, oligo(arylene-ethynylene) (OAE) molecular wires have been synthesized with core units comprising dibenzothiophene, carbazole, dibenzofuran and fluorene. The biphenyl core has been studied for comparison. Two isomeric series have been obtained with 4-ethynylpyridine units linked to the core either at para-para positions (para series 1–5) or meta-meta positions (meta series 6–10). A combined experimental and computational study, using mechanically controlled break junction measurements and density functional theory calculations, demonstrates consistently higher conductance in the para series compared to the meta series: this is in agreement with increased conjugation of the π–system in the para series. Within the para series conductance increases in the order of decreasing heteroaromaticity (dibenzothiophene < carbazole < dibenzofuran). However, the sequence is very different in the meta series, where dibenzothiophene ≈ dibenzofuran < carbazole. Excellent agreement between theoretical and experimental conductance values is obtained. Our study establishes that both quantum interference and heteroaromaticity in the molecular core units play important and inter-related roles in determining the conductance of single molecular junctions.
TaPIMP2, a pathogen-induced MYB protein in wheat, contributes to host resistance to common root rot caused by Bipolaris sorokiniana
Authors: Wei Xuening , Shan Tianlei , Hong Yantao , Xu Huijun , Liu Xin , Zhang Zengyan
Published: May 2017

MYB transcription factors (TFs) have been implicated in various biology processes in model plants. However, functions of the great majority of MYB TFs in wheat (Triticum aestivum L.) have not been characterized. The soil-borne fungal pathogens Bipolaris sorokiniana and Rhizoctonia cerealis are the causal agents of important destructive diseases of wheat. Here, the TaPIMP2 gene, encoding a pathogen-induced MYB protein in wheat, was isolated through comparative transcriptomic analysis, and its defensive role was studied. TaPIMP2 was proved to localize in nuclei. TaPIMP2 responded in a different extent and speed upon infections of B. sorokiniana or R. cerealis. TaPIMP2 displayed different expression patterns after exogenous application of phytohormones, including abscisic acid, ethylene, and salicylic acid. Silencing of TaPIMP2 repressed resistance of wheat cultivar Yangmai 6 to B. sorokiniana, but did not alter resistance of wheat line CI12633 to R. cerealis. TaPIMP2 overexpression significantly improved resistance to B. sorokiniana rather than R. cerealis in transgenic wheat. Moreover, TaPIMP2 positively modulated the expression of pathogenesis-related genes, including PR1a, PR2, PR5, and PR10. Collectively, TaPIMP2 positively contributes to wheat resistance to B. sorokiniana possibly through regulating the expression of defense-related genes, and TaPIMP2 plays distinct roles in defense responses to different fungal infection.
El Niño increases the risk of lower Mississippi River flooding
Authors: Munoz Samuel E. , Dee Sylvia G.
Published: May 2017

Mississippi River floods rank among the costliest climate-related disasters in the world. Improving flood predictability, preparedness, and response at seasonal to decadal time-scales requires an understanding of the climatic controls that govern flood occurrence. Linking flood occurrence to persistent modes of climate variability like the El Niño-Southern Oscillation (ENSO) has proven challenging, due in part to the limited number of high-magnitude floods available for study in the instrumental record. To augment the relatively short instrumental record, we use output from the Community Earth System Model (CESM) Last Millennium Ensemble (LME) to investigate the dynamical controls on discharge extremes of the lower Mississippi River. We show that through its regional influence on surface water storage, the warm phase of ENSO preconditions the lower Mississippi River to be vulnerable to flooding. In the 6–12 months preceding a flood, El Niño generates a positive precipitation anomaly over the lower Mississippi basin that gradually builds up soil moisture and reduces the basin’s infiltration capacity, thereby elevating the risk of a major flood during subsequent rainstorms. Our study demonstrates how natural climate variability mediates the formation of extreme floods on one of the world’s principal commercial waterways, adding significant predictive ability to near- and long-term forecasts of flood risk.
Michaelis-Menten kinetics of soil respiration feedbacks to nitrogen deposition and climate change in subtropical forests
Authors: Eberwein Jennifer , Shen Weijun , Jenerette G. Darrel
Published: May 2017

China experiences some of the highest rates of anthropogenic nitrogen deposition globally, with further increases projected. Understanding of soil feedbacks to the combined anthropogenic influences of climate change and nitrogen deposition in these systems is critical to improve predictive abilities for future climate scenarios. Here we used a Michaelis-Menten substrate-based kinetics framework to explore how soil CO2 production (Rsoil) responds to changes in temperature and available soil nitrogen (N) by combining field experiments with laboratory manipulations from sites experiencing elevated rates of anthropogenic N deposition but varying in soil N availabiltiy. The temperature sensitivity of Rsoil was strongly influenced by labile C additions. Furthermore, estimation of the temperature response of the Michaelis-Menten parameters supports the use of substrate-based kinetics in modeling efforts. Results from both field and laboratory experiments demonstrated a general decrease in Rsoil with increasing soil available N that was variably dependent on carbon (C) availability. Both the field and the laboratory measurements demonstrated a consistent decrease in the Michaelis-Menten parameter kM with increasing soil available N, indicating an increase in the efficiency of soil C decomposition with increasing N. Furthermore, these results provide evidence of interactions between N deposition and temperature sensitivity, which could influence C storage under combined anthropogenic global change drivers.
Single-cell pH imaging and detection for pH profiling and label-free rapid identification of cancer-cells
Authors: Hou Hui , Zhao Yangyang , Li Chuanping , Wang Minmin , Xu Xiaolong , Jin Yongdong
Published: May 2017

Single-cell pH-sensing and accurate detection and label-free fast identification of cancer-cells are two long-standing pursuits in cell and life science, as intracellular pH plays a crucial role in many cellular events and fates, while the latter is vital for early cancer theranostics. Numerous methods based on functionalized nanoparticles and fluorescence probes have been developed for cell pH-sensing, but are often hindered for single-cell studies by their main drawbacks of complicated probe preparation and labeling, low sensitivity and poor reproducibility. Here we report a simple and reliable method for single-cell pH imaging and sensing by innovative combined use of UV-Vis microspectroscopy and common pH indicators. Accurate and sensitive pH detection on single-cell or sub-cell level with good reproducibility is achieved by the method, which enables facile single-cell pH profiling and label-free rapid identification of cancer-cells (due to distinguishable intracellular pH levels) for early cancer diagnosis, and may open a new avenue for pH-related single-cell studies.
Structural insights into a 20.8-kDa tegumental-allergen-like (TAL) protein from Clonorchis sinensis
Authors: Jo Chang Hwa , Son Jonghyeon , Kim Sulhee , Oda Takashi , Kim Jaehoon , Lee Myoung-Ro , Sato Mamoru , Kim Hyun Tae , Unzai Satoru , Park Sam-Yong , Hwang Kwang Yeon
Published: May 2017

Survival of Clonorchis sinensis, a cause of human clonorchiasis, requires tegument proteins, which are localized to the tegumental outer surface membrane. These proteins play an important role in a host response and parasite survival. Thus, these proteins are interesting molecular targets for vaccine and drug development. Here, we have determined two crystal structures of the calmodulin like domain (amino acid [aa] positions 1–81) and dynein light chain (DLC)-like domain (aa 83–177) of a 20.8-kDa tegumental-allergen-like protein from Clonorchis sinensis (CsTAL3). The calmodulin like domain has two Ca2+-binding sites (named CB1 and CB2), but Ca2+ binds to only one site, CB1. The DLC-like domain has a dimeric conformation; the interface is formed mainly by hydrogen bonds between the main chain atoms. In addition, we have determined full-length structure of CsTAL3 in solution and showed the conformational change of CsTAL3 induced by Ca2+ ion binding using small-angle X-ray scattering analysis and molecular dynamics simulations. The Ca2+-bound form has a more extended conformation than the Ca2+-free from does. These structural and biochemical analyses will advance the understanding of the biology of this liver fluke and may contribute to our understanding of the molecular mechanism of calcium-responsive and tegumental-allergen-like proteins.
Clinical experience with the artificial bone graft substitute Calcibon used following curettage of benign and low-grade malignant bone tumors
Authors: Friesenbichler Joerg , Maurer-Ertl Werner , Bergovec Marko , Holzer Lukas A. , Ogris Kathrin , Leitner Lukas , Leithner Andreas
Published: May 2017

Artificial bone graft substitutes, such as Calcibon, are becoming increasingly interesting as they do not cause donor site morbidity which is an advantage compared to autologous bone grafts. The aim of this study was to evaluate the efficacy and potential complications associated with the use of Calcibon. Twenty-seven patients with benign and low-grade malignant bone tumors were treated with curettage and refilling of the bony cavity. Based on the radiological classification system of Neer, these lesions only comprised Grade I lesions, describing cysts that only require curettage and filling, but no additional treatment. At a mean follow up of six months we observed radiological consolidation without resorption of the bone graft substitute. These observations were also made at a mean follow-up of 13 and 32 months, respectively. According to the classification system of Goslings and Gouma we observed six surgical complications. Summing up, Calcibon seems to be a reliable bone graft substitute with low complication rates. However, delayed resorption should be expected. Calcibon seems to be an alternative to autologous bone grafts or allografts in adequate indications.
Photobleaching of chromophoric dissolved organic matter (CDOM) in the Yangtze River estuary: kinetics and effects of temperature, pH, and salinity
Authors: Song Guisheng , Li Yijie , Hu Suzheng , Li Guiju , Zhao Ruihua , Sun Xin , Xie Huixiang
Published: May 2017

CDOM photobleaching in the Yangtze estuary is affected by its source, and water temperature and pH but not salinity.
Influence of washing and quenching in profiling the metabolome of adherent mammalian cells: a case study with the metastatic breast cancer cell line MDA-MB-231
Authors: Kapoore Rahul Vijay , Coyle Rachael , Staton Carolyn A. , Brown Nicola J. , Vaidyanathan Seetharaman
Published: May 2017

1 step of PBS wash followed by quenching with 60% methanol supplemented with 70 mM HEPES results in minimal metabolite leakage.
Controllable Mn-doped ZnO nanorods for direct assembly of a photoelectrochemical aptasensor
Authors: Li Jing , Dai Zhihui , Li Hongbo
Published: May 2017

A label-free photoelectrochemical (PEC) aptasensor for K+ was first constructed by direct self-assembly of the K+ aptamer onto the electrodeposited Mn-doped ZnO nanorods.
Imaging localized electric fields with nanometer precision through tip-enhanced Raman scattering
Authors: Bhattarai A. , El-Khoury P. Z.
Published: May 2017

Tip-enhanced Raman scattering may be used to image various aspects of plasmon-enhanced local electric fields with extremely high spatial resolution.
Intermolecular cascade annulations of N-(arylsulfonyl)acrylamides with dual C(sp3)–H bonds: divergent access to indanes and pyrrolidin-2-ones
Authors: Hu Ming , Guo Ling-Yu , Han Ying , Tan Fang-Lin , Song Ren-Jie , Li Jin-Heng
Published: May 2017

A new divergent cascade annulation reaction ofN-(arylsulfonyl)acrylamides and dual alkyl C(sp3)–H bonds for selectively producing indanes and pyrrolidin-2-ones is presented.
Chemoenzymatic synthesis of polypeptides containing the unnatural amino acid 2-aminoisobutyric acid
Authors: Tsuchiya Kousuke , Numata Keiji
Published: May 2017

Polypeptides containing 2-aminoisobutiryc acid (Aib) as an unnatural amino acid were synthesized via chemoenzymatic polymerization of the tripeptide ethyl ester AlaAibAla-OEt.
Capsulate structure effect on SWNTs doping in RbxAg1−xI@SWNT composites
Authors: Falaleev N. S. , Kumskov A. S. , Zhigalina V. G. , Verbitskiy I. I. , Vasiliev A. L. , Makarova A. A. , Vyalikh D. V. , Kiselev N. A. , Eliseev A. A.
Published: May 2017

The paper reports the relationship between single-walled carbon nanotube (SWNT) doping and capsulate crystal structure in RbxAg1−xI@SWNT composites.
Adsorption of C2 gases over CeO2-based catalysts: synergism of cationic sites and anionic vacancies
Authors: Padole Manjusha C. , Gangwar Bhanu P. , Pandey Aman , Singhal Aditi , Sharma Sudhanshu , Deshpande Parag A.
Published: May 2017

Combined in situ DRIFTS and in silico DFT studies show the potential of Pd-substituted CeO2 for the hydrogenation of C2-gases.
Adapting BODIPYs to singlet oxygen production on silica nanoparticles
Authors: Epelde-Elezcano Nerea , Prieto-Montero Ruth , Martínez-Martínez Virginia , Ortiz María J. , Prieto-Castañeda Alejandro , Peña-Cabrera Eduardo , Belmonte-Vázquez José L. , López-Arbeloa Iñigo , Brown Ross , Lacombe Sylvie
Published: May 2017

Spherical core–shell silica NPs with fluorescent dyes embedded in the core and Iodo-BODIPYs as new photosensitizers grafted at the external surface were prepared. Their fluorescence and singlet oxygen quantum yields were determined and possible FRET was evaluated.
Two-photon photoelectron emission microscopy for surface plasmon polaritons at the Au(111) surface decorated with alkanethiolate self-assembled monolayers
Authors: Yamagiwa Kana , Shibuta Masahiro , Nakajima Atsushi
Published: May 2017

In this study, we have employed dual-color photoelectron emission microscopy (2P-PEEM) to visualize surface plasmon polaritons (SPPs) propagating along a chemically modified organic/metal interface of alkanethiolate self-assembled monolayers formed on Au(111).
Chiral supramolecular organization from a sheet-like achiral gel: a study of chiral photoinduction
Authors: Royes Jorge , Polo Víctor , Uriel Santiago , Oriol Luis , Piñol Milagros , Tejedor Rosa M.
Published: May 2017

Theoretical calculations are proposed to investigate chiral photoinduction in achiral materials in the search for new routes for achieving chiral supramolecular organizations.
Structure and dynamics of water confined in a graphene nanochannel under gigapascal high pressure: dependence of friction on pressure and confinement
Authors: Yang Lei , Guo Yanjie , Diao Dongfeng
Published: May 2017

The friction coefficient at the water/graphene interface is dependent on the lateral pressure and nanochannel height under gigapascal high-pressure.
Catalytically active ceria-supported cobalt–manganese oxide nanocatalysts for oxidation of carbon monoxide
Authors: Wang Xu , Du Lin-Ying , Du Meng , Ma Chao , Zeng Jie , Jia Chun-Jiang , Si Rui
Published: May 2017

The crystallinity of the surface of the two-dimensional Co3O4 phase governs the catalytic performance of ceria-supported cobalt–manganese oxide nanostructures.
Odd–even effect in two dimensions induced by the bicomponent blends of isobutenyl compounds
Authors: Kikkawa Yoshihiro , Tsuzuki Seiji , Taguchi Kazuhiro , Kashiwada Ayumi , Hiratani Kazuhisa
Published: May 2017

The bicomponent blends in isobutenyl compounds showed 2D structural modulation due to odd–even effect as well as blend ratio-dependent 2D structural change.
Mechanochemical Suzuki polycondensation – from linear to hyperbranched polyphenylenes
Authors: Grätz S. , Wolfrum B. , Borchardt L.
Published: May 2017

Mechanochemical Suzuki polycondensation offers a sustainable alternative to classical solvent based approaches, affording high yields and short reaction times.
Organic superbase derived ionic liquids based on the TFSI anion: synthesis, characterization, and electrochemical properties
Authors: Wang Zhi , Li Zuopeng , Jin Yunhe , Liu Wei , Jiang Linhai , Zhang Qinghua
Published: May 2017

Five organic superbase derived ionic liquids based on the TFSI anion were designed and synthesized, and their application as green electrolytes in super-capacitors was also evaluated.
Novel metal free porphyrinic photosensitizers supported on solvent-induced Amberlyst-15 nanoparticles with a porous structure
Authors: Heydari-turkmani Akram , Zakavi Saeed , Nikfarjam Nasser
Published: May 2017

Immobilization of porphyrins on solvent-induced Amberlyst-15 nanoparticles led to the formation of novel porous porphyrinic photosensitizers with high photocatalytic activity towards the aerobic oxidation of olefins in acetonitrile.
Anticorrosive superhydrophobic polystyrene-coated mesh for continuous oil spill clean-up
Authors: Li Jian , Guan Peng , Li Mouji , Zhang Yan , Cheng Peipei , Jia Runan
Published: May 2017

An anti-corrosive superhydrophobic box wrapped with a polystyrene-coated mesh can continuously remove oil spills from the seawater surface.
Refinement of labile hydrogen positions based on DFT calculations of1H NMR chemical shifts: comparison with X-ray and neutron diffraction methods
Authors: Siskos Michael G. , Choudhary M. Iqbal , Gerothanassis Ioannis P.
Published: May 2017

High resolution structures of hydrogen bonds: experimental (δexp) and GIAO calculated1H NMR chemical shifts,δcalc, in combination with DFT energy minimization, are an excellent means for obtaining high resolution structures of labile protons.
An indacenodithiophene-based semiconducting polymer with high ductility for stretchable organic electronics
Authors: Li Yilin , Tatum Wesley K. , Onorato Jonathan W. , Barajas Sierra D. , Yang Yun Young , Luscombe Christine K.
Published: May 2017

An alkyl-substituted indacenodithiophene-based donor–acceptor π-conjugated polymer (PIDTBPD) with low stiffness and high ductility is reported.
Facile synthesis of Fe3O4/MIL-101 nanocomposite as an efficient heterogeneous catalyst for degradation of pollutants in Fenton-like system
Authors: Zhao Chaocheng , Dong Pei , Liu Zongmei , Wu Guangrui , Wang Shuaijun , Wang Yongqiang , Liu Fang
Published: May 2017

An active Fe3O4/MIL-101 hybrid material was prepared via a simple in situ solvothermal method and characterized as a heterogeneous Fenton-like catalyst for Rhodamine B (RhB) degradation.
Copper(ii)-mediated formation of oxazole-4-carbonitrile from acetophenone and coordinated cyanide anion via a radical coupling
Authors: Xu Congjun , Qin Mingze , Yi Jun , Wang Yanjing , Chen Yanfeng , Zhang Bingfu , Zhao Yanfang , Gong Ping
Published: May 2017

A protocol for the direct synthesis of 4-aryloxazole-5-carbonitrile from acetophenone was first described.
Synthesis and characterisation of push–pull flavin dyes with efficient second harmonic generation (SHG) properties
Authors: Mohammed Nabeel , Wiles Alan A. , Belsley Michael , Fernandes Sara S. M. , Cariello Michele , Rotello Vincent M. , Raposo M. Manuela M. , Cooke Graeme
Published: May 2017

We report push–pull flavins bearing different donor groups that exhibit high hyperpolarisabilities (β = 355–9550 × 10−30 esu) and decomposition temperatures thereby indicating their potential application as non-linear optical device materials.
Enantioselective total synthesis of (−)-colchicine, (+)-demecolcinone and metacolchicine: determination of the absolute configurations of the latter two alkaloids
Authors: Chen Bo , Liu Xin , Hu Ya-Jian , Zhang Dong-Mei , Deng Lijuan , Lu Jieyu , Min Long , Ye Wen-Cai , Li Chuang-Chuang
Published: May 2017

A highly concise, enantioselective synthesis of (−)-colchicine, the first syntheses of (+)-demecolcinone and metacolchicine, was reported.
(Electro)chemical expansion during cycling: monitoring the pressure changes in operating solid-state lithium batteries
Authors: Zhang Wenbo , Schröder Daniel , Arlt Tobias , Manke Ingo , Koerver Raimund , Pinedo Ricardo , Weber Dominik A. , Sann Joachim , Zeier Wolfgang G. , Janek Jürgen
Published: May 2017

Monitoring pressure changes in an operating solid-state battery demonstrates the importance of external pressure in ensuring long-term electrochemical performance.
Electrical characteristics of an energised conductor under various weather conditions
Authors: Yin Fanghui , Farzaneh Masoud , Jiang Xingliang
Published: May 2017

When a transmission line is subjected to adverse weather conditions, rain drops or ice can be formed on its surface, leading to discharge phenomena known as corona. The corona discharge increases corona loss, leakage conductance, and capacitance, the latter two effects facilitating harmonic conditions and power quality degradation. This study investigates the electrical characteristics of an energised conductor under rain, rime, and glaze ice conditions. The experiments were carried out in a climate room using a corona cage. It was found that the leakage conductance of a corona‐cage configuration was at its highest under glaze ice condition and at its lowest under rime condition for the same background surface electric field. With the presence of icicles, the change in capacitance under glaze ice accretion was complex. From the experimental results, it can be concluded that the corona‐cage configuration is mainly characterised by its capacitive nature before the corona onset. When the corona discharge occurs, the corona cage exhibits a resistive–capacitive nature. With the increase of applied voltage, the configuration becomes more resistive.
Command filter‐based adaptive fuzzy backstepping control for a class of switched non‐linear systems with input quantisation
Authors: Huang Leitao , Li Yongming , Tong Shaocheng
Published: May 2017

This study investigates the problem of adaptive fuzzy output feedback control for a class of switched uncertain non‐linear systems with input quantisation. The considered system contains unknown non‐linearities, the switching signals, hysteretic quantised input and immeasurable states. Fuzzy logic systems are used to approximate the unknown non‐linearities and a fuzzy switched state observer is designed to estimate the unmeasured states. The hysteretic quantised input is divided into two bounded non‐linear functions in the control design to avoid chattering problem. By incorporating command filter into the backstepping design procedure, a fuzzy adaptive control scheme is developed, which solves the ‘explosion of complexity’ problem in conventional backstepping control schemes. Finally, the stability of the closed loop and convergence of the tracking error are proved via average dwell time and multiple Lyapunov functions methods. The effectiveness of the proposed approach is verified by a numerical simulation example.
Input/output decoupling of Boolean control networks
Authors: Valcher Maria Elena
Published: May 2017

In this study, the author investigates the input/output decoupling problem for Boolean control networks (BCNs). To keep up with the spirit of the original definition for linear state‐space models, that pertains the relationship between inputs and outputs independently of the state variables, two properties that formalise in different ways the idea that each single component of the output depends on the values of the corresponding input are provided, but not on the values of the other inputs. These properties are introduced by referring to the classical representation of a BCN in terms of Boolean input, state and output vectors, whose mutual relationships are expressed through the logical operators AND, OR and so on. In this set‐up, it is proven that there is some natural ordering among these properties, namely that one of them implies the other. In the second part of this study, it is shown that by resorting to the algebraic representation of BCNs a complete characterisation of these properties is possible. The algebraic characterisations obtained through this approach provide easy to check algorithms to evaluate whether a BCN is input/output decoupled or not. Finally, graph‐theoretic characterisations of the two input/output decoupling properties are provided.
Procuring and pricing performance‐based frequency regulation services in the electricity market
Authors: Wang Zhongwei , Zhong Jin
Published: May 2017

This study presents a market model that procures energy and performance‐based regulation services simultaneously considering the participation of energy storage devices. The correlations of energy, regulation capacity, and regulation mileage are explicitly demonstrated. The proposed market model determines the energy schedule of generation units, charging and discharging profiles of energy storage devices, and the schedule of regulation services. Market clearing prices for energy, regulation capacity, and regulation mileage are derived and decomposed through Lagrange multiplier analysis. The relationships between the clearing prices of different market products are analysed. The proposed market model is tested and verified with the IEEE 30‐bus system.
Comparative quality assessment of esophageal examination with transnasal and sedated endoscopy
Authors: Crews Nicholas , Gorospe Emmanuel , Johnson Michele , Wong Kee Song Louis-Michel , Katzka David , Iyer Prasad
Published: May 2017

Background Unsedated transnasal esophagoscopy (TNE) may offer a less expensive, mobile alternative to sedated esophagogastroduodenoscopy (EGD) for evaluations of reflux related complications. Comparisons of imaging quality by these methods are lacking.

Methods Two reviewers evaluated videos of TNE and EGD procedures, performed during a community randomized study comparing endoscopic techniques. Subjects were randomized to EGD, TNE in endoscopy suite, or TNE in mobile research unit. Endoscopic quality was assessed using a validated scoring tool.

Results In total, 115 videos (58 EGD, 28 endoscopy suite TNE, and 29 mobile TNE) were reviewed. Overall quality scores for TNE and EGD were excellent without a statistically significant difference (P = 0.30). There were no differences in gastroesophageal junction (GEJ) visualization scores, though EGD scored higher in esophageal passage (P < 0.05) and TNE scored higher in esophageal intubation (P < 0.05). There was no significant difference in any quality score between mobile TNE and gastrointestinal suite TNE.

Conclusion Esophageal assessment with TNE or EGD was comparable in overall quality and GEJ visualization. TNE quality was not affected by procedure location. TNE is a feasible option for endoscopic assessment of reflux complications.
Per-oral endoscopic myotomy for achalasia cardia: outcomes in over 400 consecutive patients
Authors: Nabi Zaheer , Ramchandani Mohan , Chavan Radhika , Kalapala Rakesh , Darisetty Santosh , Rao Guduru , Reddy Nageshwar
Published: May 2017

Background and study aims Per-oral endoscopic myotomy (POEM) has emerged as an efficacious treatment modality for the management of achalasia cardia (AC) and non-achalasia spastic esophageal motility disorders. Initial results are encouraging. We analyzed the safety and efficacy of POEM in a large cohort of patients with AC.

Patients and methods The data from patients who underwent POEM (from January 2013 to June 2016) was prospectively collected and analyzed. Clinical success was defined as Eckardt score ≤ 3 after POEM procedure. Objective parameters including high-resolution manometry (HRM) and timed barium swallow (TBS) were analyzed and compared before and after the procedure. Gastroesophageal reflux was analyzed using 24-hour pH impedance study and esophagogastro-duodenoscopy.

Results A total of 408 patients (mean age 40 years, range 4 – 77 years) underwent POEM during the specified period. POEM could be successfully completed in 396 (97 %) patients. Clinical success rates at 1, 2 and 3 years were 94 %, 91 % and 90 %, respectively. Mean Eckardt score was 7.07 ± 1.6 prior to POEM and 1.27 ± 1.06 after POEM (P = 0.001) at 1 year. Significant improvement in esophageal emptying on TBE (> 50 %) was documented in 93.8 % patients who completed 1-year follow up. Pre-procedure and post-procedure mean lower esophageal sphincter pressure was 45 ± 16.5 mmHg and 15.6 ± 6.1 mmHg, respectively (P = 0.001). Technical and clinical success were comparable in naïve vs prior treated cases (97.3 % vs 96.8 %, P = 0.795) (95.7 % vs 92.6 %, P = 0.275). GERD was documented in 28.3 % patients with 24-hour pH-impedance study and erosive esophagitis was seen in 18.5 % of patients who underwent POEM.

Conclusions POEM is safe, effective and has a durable response in patients with achalasia cardia. Prior treatment does not influence the outcomes of POEM.
Comprehensive modeling of Joule heated cantilever probes
Authors: Spieser M. , Rawlings C. , Lörtscher E. , Duerig U. , Knoll A. W.
Published: May 2017

The thermo-electrical properties of a complex silicon cantilever structure used in thermal scanning probe lithography are modeled based on well established empirical laws for the thermal conductivity in silicon, the electrical conductivity in the degenerate silicon support structure, and a comprehensive physical model of the electrical conductivity in the low-doped heater structure. The model calculations are performed using a set of physically well defined material parameters and finite element methods to solve the coupled thermal and electrical diffusion equations in the cantilever. The material parameters are determined from a non-linear regression fit of the numerical results to corresponding measured data, which also includes Raman measurements of the heater temperature. Excellent agreement between predicted and measured data in the absence of air cooling is obtained if a tapered doping profile in the heater is used. The heat loss through the surrounding air is also studied in a parameter free three-dimensional simulation. The simulation reveals that the heater temperature can be accurately predicted from the electrical power supplied to the cantilever via a global scaling of the power in the power-temperature correlation function, which can be determined from the vacuum simulation.
Graph-theoretical evaluation of the inelastic propensity rules for molecules with destructive quantum interference
Authors: Sýkora Rudolf , Novotný Tomáš
Published: May 2017

We present a method based on graph theory for the evaluation of the inelastic propensity rules for molecules exhibiting complete destructive quantum interference in their elastic transmission. The method uses an extended adjacency matrix corresponding to the structural graph of the molecule for calculating Green’s function between the sites with attached electrodes and consequently states the corresponding conditions the electron-vibration coupling matrix must meet for the observation of an inelastic signal between the terminals. The method can be fully automated and we provide a functional website running a code using Wolfram Mathematica, which returns a graphical depiction of destructive quantum interference configurations together with the associated inelastic propensity rules for a wide class of molecules.
Fermionic observables in the transverse Ising chain
Authors: Björnberg Jakob E.
Published: May 2017

We introduce a notion of s-holomorphicity suitable for certain quantum spin systems in one dimension and define two observables in the critical transverse-field Ising model which have this property. The observables are defined using graphical representations in the complex plane and are analogous to Smirnov’s fk–Ising and spin-Ising observables, respectively. We also briefly discuss scaling limits of these observables.
ARMC-AGC strategy for multi-area optimal cooperation to cover the variability of renewable energy resources
Authors: Zhang Lei , Luo Yi , Ye Jing
Published: May 2017

The integration of large-scale variable renewable energy (VRE) has increased the demand for additional regulation capacity to manage the variability of renewable generation. This problem can be solved by exploiting regulation flexibility from neighboring areas; however, this solution is restricted by the existing automatic generation control (AGC) strategy. In this paper, an AGC strategy based on the area regulation marginal cost is presented for multi-area AGC optimal cooperation. A multi-area system dynamic model for AGC is improved, and the formulation of the multi-area AGC optimal cooperation model considering tie-line power security, which is the objective of the proposed control strategy, is developed. Next, the stability and optimality of the proposed strategy are studied based on the linear theory. Finally, comparative simulations based on a simple three-area system show that the proposed strategy is effective in enabling further VRE penetration and can improve the economic efficiency of regulation in multi-area power systems. A case study using a real multi-area power system demonstrates the benefits of the proposed strategy in practice.
A study of V-shaped potential formation using two-dimensional particle-in-cell simulations
Authors: Almomany Abedalmuhdi , Sewell Stephen , Wells B. Earl , Nishikawa Ken-Ichi
Published: May 2017

In this research, two-dimensional electrostatic Particle-In-Cell simulation techniques were used to study the dynamic formation of V-shaped potential structures in the upward current regions of auroral plasmas. These simulations imposed a non-constant but more realistic spatially varying external magnetic field that increases in magnitude as it nears the ionospheric regions. A characteristic of these simulations was that V-shaped potential structures became clearly visible within the expanding plasma as they evolved, with a transversely non-uniform converging perpendicular electric field being evident. These observations were consistent across a wide range of simulation sizes. The inclusion of dipole-like magnetic fields in the auroral region leads to more visible V-shaped potential structure than that in the simulations with a constant magnetic field.
Extension of the T-bridge method for measuring the thermal conductivity of two-dimensional materials
Authors: Kim Jungwon , Seo Dong-Jea , Park Hwanjoo , Kim Hoon , Choi Heon-Jin , Kim Woochul
Published: May 2017

In this paper, the T-bridge method is extended to measure the thermal properties of two-dimensional nanomaterials. We present an analysis of the measureable positions, width, and thermal resistance of two-dimensional materials. For verification purposes, the thermal conductivity of a SiO2 nanoribbon was measured. To enhance the thermal contact between the nanoribbon and the heater in the setup, the nanoribbon was dipped into either isopropanol or water in order to promote a sticking force. Also, focused ion beam deposition was used to deposit the nanoribbon onto the contact. The thermal conductivities of all three cases were identical, showing that water dipping could be used to enhance the thermal contact. Due to the simple structure of this method and the analysis provided herein, the T-bridge method can be widely used for measuring the thermal conductivity of two-dimensional materials.
Investigation of stress induced interface states in Al2O3/InGaAs metal-oxide-semiconductor capacitors
Authors: Palumbo F. , Winter R. , Tang K. , McIntyre P. C. , Eizenberg M.
Published: May 2017

Implementation of high-k dielectrics on InGaAs for CMOS technology requires capabilities to predict long-time degradation and the impact of process changes on degradation processes. In this work, the degradation under constant voltage stress of metal gate/Al2O3/InGaAs stacks is studied for n-type and p-type As2 passivated InGaAs substrates. The results show that the degradation for both positive bias and negative bias did not produce Al2O3 oxide traps, while the distribution of interface states increased. In particular, the distribution of interface states, calculated by the distributed impedance equivalent circuit model, increased significantly after positive bias stress regardless of the doping type of the substrate. The injection of carriers from the semiconductor conduction band into the gate dielectric enhanced the generation of interface states but not the generation of oxide traps, suggesting that the interfacial degradation is related primarily to the InGaAs surface and not to the oxide layer.
Finite response time of shock wave modulation by turbulence
Authors: Inokuma Kento , Watanabe Tomoaki , Nagata Koji , Sasoh Akihiro , Sakai Yasuhiko
Published: May 2017

Response time of the post-shock wave (SW) overpressure modulation by turbulence is investigated in wind tunnel experiments. A peak-overpressure fluctuation, observed on a wall, is induced by turbulence around the SW ray, but away from the wall, demonstrating finite response time of the modulation. We propose a model of the modulation based on the SW deformation by a local flow disturbance, which yields the response time being proportional to the product of the large-eddy turnover time and (MT/MS0)0.5 (MT: turbulent Mach number and MS0: shock Mach number), in consistent with the experiments.