bluuebunny/crossref_metadata_2025 huggingface dataset:
iDTI-ESBoost: Identification of Drug Target Interaction Using Evolutionary and Structural Features with Boosting
Authors: Rayhan Farshid , Ahmed Sajid , Shatabda Swakkhar , Farid Dewan Md , Mousavian Zaynab , Dehzangi Abdollah , Rahman M. Sohel
Published: December 2017

Prediction of new drug-target interactions is critically important as it can lead the researchers to find new uses for old drugs and to disclose their therapeutic profiles or side effects. However, experimental prediction of drug-target interactions is expensive and time-consuming. As a result, computational methods for predictioning new drug-target interactions have gained a tremendous interest in recent times. Here we present iDTI-ESBoost, a prediction model for identification of drug-target interactions using evolutionary and structural features. Our proposed method uses a novel data balancing and boosting technique to predict drug-target interaction. On four benchmark datasets taken from a gold standard data, iDTI-ESBoost outperforms the state-of-the-art methods in terms of area under receiver operating characteristic (auROC) curve. iDTI-ESBoost also outperforms the latest and the best-performing method found in the literature in terms of area under precision recall (auPR) curve. This is significant as auPR curves are argued as suitable metric for comparison for imbalanced datasets similar to the one studied here. Our reported results show the effectiveness of the classifier, balancing methods and the novel features incorporated in iDTI-ESBoost. iDTI-ESBoost is a novel prediction method that has for the first time exploited the structural features along with the evolutionary features to predict drug-protein interactions. We believe the excellent performance of iDTI-ESBoost both in terms of auROC and auPR would motivate the researchers and practitioners to use it to predict drug-target interactions. To facilitate that, iDTI-ESBoost is implemented and made publicly available at:http://farshidrayhan.pythonanywhere.com/iDTI-ESBoost/.
Piezo type mechanosensitive ion channel component 1 functions as a regulator of the cell fate determination of mesenchymal stem cells
Authors: Sugimoto Asuna , Miyazaki Aya , Kawarabayashi Keita , Shono Masayuki , Akazawa Yuki , Hasegawa Tomokazu , Ueda-Yamaguchi Kimiko , Kitamura Takamasa , Yoshizaki Keigo , Fukumoto Satoshi , Iwamoto Tsutomu
Published: December 2017

The extracellular environment regulates the dynamic behaviors of cells. However, the effects of hydrostatic pressure (HP) on cell fate determination of mesenchymal stem cells (MSCs) are not clearly understood. Here, we established a cell culture chamber to control HP. Using this system, we found that the promotion of osteogenic differentiation by HP is depend on bone morphogenetic protein 2 (BMP2) expression regulated by Piezo type mechanosensitive ion channel component 1 (PIEZO1) in MSCs. The PIEZO1 was expressed and induced after HP loading in primary MSCs and MSC lines, UE7T-13 and SDP11. HP and Yoda1, an activator of PIEZO1, promoted BMP2 expression and osteoblast differentiation, whereas inhibits adipocyte differentiation. Conversely, PIEZO1 inhibition reduced osteoblast differentiation and BMP2 expression. Furthermore, Blocking of BMP2 function by noggin inhibits HP induced osteogenic maker genes expression. In addition, in an in vivo model of medaka with HP loading, HP promoted caudal fin ray development whereas inhibition of piezo1 using GsMTx4 suppressed its development. Thus, our results suggested that PIEZO1 is responsible for HP and could functions as a factor for cell fate determination of MSCs by regulating BMP2 expression.
Characterization of a major QTL for manganese accumulation in rice grain
Authors: Liu Chaolei , Chen Guang , Li Yuanyuan , Peng Youlin , Zhang Anpeng , Hong Kai , Jiang Hongzhen , Ruan Banpu , Zhang Bin , Yang Shenglong , Gao Zhenyu , Qian Qian
Published: December 2017

Some diets lack sufficient manganese (Mn), an essential mineral. Increasing Mn in grain by biofortification could prevent Mn deficiency, but may increase levels of the toxic element cadmium (Cd). Here, we investigated Mn in rice (Oryza sativa) grains in recombinant inbred lines (RILs) from the cross of 93–11 (low grain Mn) with PA64s (high grain Mn). Quantitative trait locus (QTL) analysis to identify loci controlling grain Mn identified a major QTL, qGMN7.1, on the short arm of chromosome 7; qGMN7.1 explained 15.6% and 22.8% of the phenotypic variation in the RIL populations grown in two distinct environments. We validated the QTL with a chromosome segment substitution line (CSSL), CSSL-qGMN7.1, in the 93–11 background harboring qGMN7.1 from PA64s. Compared to 93–11, CSSL-qGMN7.1 grain had increased Mn and decreased Cd concentrations; CSSL-qGMN7.1 roots also showed enhanced Mn uptake. Fine mapping delimited qGMN7.1 to a 49.3-kb region containing OsNRAMP5, a gene responsible for Mn and Cd uptake. Sequence variations in the OsNRAMP5 promoter caused changes in its transcript level, and in grain Mn levels. Our study thus cloned a major QTL for grain Mn concentration in rice, and identified materials for breeding rice for high Mn and low Cd concentrations in the grain.
Chemical Adsorption and Physical Confinement of Polysulfides with the Janus-faced Interlayer for High-performance Lithium-Sulfur Batteries
Authors: Chiochan Poramane , Kaewruang Siriroong , Phattharasupakun Nutthaphon , Wutthiprom Juthaporn , Maihom Thana , Limtrakul Jumras , Nagarkar Sanjog S. , Horike Satoshi , Sawangphruk Montree
Published: December 2017

We design the Janus-like interlayer with two different functional faces for suppressing the shuttle of soluble lithium polysulfides (LPSs) in lithium-sulfur batteries (LSBs). At the front face, the conductive functionalized carbon fiber paper (f-CFP) having oxygen-containing groups i.e., -OH and -COOH on its surface was placed face to face with the sulfur cathode serving as the first barrier accommodating the volume expansion during cycling process and the oxygen-containing groups can also adsorb the soluble LPSs via lithium bonds. At the back face, a crystalline coordination network of [Zn(H2PO4)2(TzH)2]n (ZnPTz) was coated on the back side of f-CFP serving as the second barrier retarding the left LPSs passing through the front face via both physical confinement and chemical adsorption (i.e. Li bonding). The LSB using the Janus-like interlayer exhibits a high reversible discharge capacity of 1,416 mAh g−1 at 0.1C with a low capacity fading of 0.05% per cycle, 92% capacity retention after 200 cycles and ca. 100% coulombic efficiency. The fully charged LSB cell can practically supply electricity to a spinning motor with a nominal voltage of 3.0 V for 28 min demonstrating many potential applications.
Photoluminescence Study of the Photoinduced Phase Separation in Mixed-Halide Hybrid Perovskite CH3NH3Pb(BrxI1−x)3 Crystals Synthesized via a Solvothermal Method
Authors: Zhang Baohua , Guo Fuqiang , Xue Junjun , Yang Lianhong , Zhao Yafei , Ge Mei , Cai Qing , Liu Bin , Xie Zili , Chen Dunjun , Lu Hai , Zhang Rong , Zheng Youdou
Published: December 2017

We systematically synthesized mixed-halide hybrid perovskite CH3NH3Pb(BrxI1−x)3 (0 ≤ x ≤ 1) crystals in the full composition range by a solvothermal method. The as-synthesized crystals retained cuboid shapes, and the crystalline structure transitioned from the tetragonal phase to the cubic phase with an increasing Br-ion content. The photoluminescence (PL) of CH3NH3Pb(BrxI1−x)3 crystals exhibited a continuous variation from red (768 nm) to green (549 nm) with increasing the volume ratio of HBr (VHBr%), corresponding to a variation in the bandgap from 1.61 eV to 2.26 eV. Moreover, the bandgap of the crystals changed nonlinearly as a quadratic function of x with a bowing parameter of 0.53 eV. Notably, the CH3NH3Pb(BrxI1−x)3 (0.4 ≤ x ≤ 0.6) crystals exhibited obvious phase separation by prolonged illumination. The cause for the phase separation was attributed to the formation of small clusters enriched in lower-band-gap, iodide-rich and higher-band-gap, bromide-rich domains, which induced localized strain to promote halide phase separation. We also clarified the relationship between the PL features and the band structures of the crystals.
High throughput mechanochemistry: application to parallel synthesis of benzoxazines
Authors: Martina K. , Rotolo L. , Porcheddu A. , Delogu F. , Bysouth S. R. , Cravotto G. , Colacino E.
Published: December 2017

Mechanochemical “parallel synthesis”: processing 12 samples simultaneously allowed fast screening of the optimum reaction conditions and high throughput preparation of benzozaxine derivatives, including a fungicide.
Thiomolybdate [Mo3S13]2−nanocluster: a molecular mimic of MoS2active sites for highly efficient photocatalytic hydrogen evolution
Authors: Lei Yonggang , Yang Meiqun , Hou Jianhua , Wang Fang , Cui Entian , Kong Chao , Min Shixiong
Published: December 2017

As a MoS2edge site mimic, the [Mo3S13]2−nanocluster can efficiently catalyze H2evolution from a Ru(bpy)32+–H2A molecular system under visible light.
Dissolution of oligo(tetrafluoroethylene) and preparation of poly(tetrafluoroethylene)-based composites by using fluorinated ionic liquids
Authors: Tsurumaki Akiko , Ohno Hiroyuki
Published: December 2017

Fluorinated ionic liquids form stable composites with poly(tetrafluoroethylene).
Optimal pathways for the assembly of the Apaf-1·cytochromeccomplex into apoptosome
Authors: Qi Hong , Jiang Yu , Yin Zhiyong , Jiang Ke , Li Linxi , Shuai Jianwei
Published: December 2017

A comprehensive analysis of apoptosome assembly reveals that some assembly pathways can optimally trade off speed and efficiency.
Analysis of competitive binding of several metal cations by graphene oxide reveals the quantity and spatial distribution of carboxyl groups on its surface
Authors: Amirov Rustem R. , Shayimova Julia , Nasirova Zarina , Solodov Alexander , Dimiev Ayrat M.
Published: December 2017

GO contains two different types of binding sites, bonding to which results either in high or low NMR relaxivity of resulted Gd3+–GO and Mn2+–GO solutions.
Light and oxygen induce chain scission of conjugated polymers in solution
Authors: Louis Boris , Caubergh Stéphane , Larsson Per-Olof , Tian Yuxi , Scheblykin Ivan G.
Published: December 2017

How fast conjugated polymers degrade when stored in solution? Can one trust the molecular weight provided by the producer when doing spectroscopy?
Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells
Authors: Fuentes Pineda Rosinda , Troughton Joel , Planells Miquel , Sanchez-Molina Santos Irene , Muhith Farmin , Nichol Gary S. , Haque Saif , Watson Trystan , Robertson Neil
Published: December 2017

Five triarylamine derivatives with different para-alkoxy chains were compared as hole-transport materials in perovskite solar cells.
Correlating morphology and doping effects with the carbon monoxide catalytic activity of Zn doped CeO2 nanocrystals
Authors: Du Haiwei , Wang Yuan , Arandiyan Hamidreza , Scott Jason , Wan Tao , Chu Dewei
Published: December 2017

The morphology-dependent doping effects on CeO2 nanocrystals were investigated for the catalytic oxidation of carbon monoxide (CO).
DFT study of CO2 hydrogenation catalyzed by a cobalt-based system: an unexpected formate anion-assisted deprotonation mechanism
Authors: Zhang Zhihan , Li Yinwu , Hou Cheng , Zhao Cunyuan , Ke Zhuofeng
Published: December 2017

An unexpected formate anion-assisted deprotonation mechanism is unfolded by a DFT study of CO2 hydrogenation catalyzed by a cobalt-based system.
Morphology and dispersion of nanostructured manganese–cobalt spinel on various carbon supports: the effect on the oxygen reduction reaction in alkaline media
Authors: Kostuch Aldona , Gryboś Joanna , Indyka Paulina , Osmieri Luigi , Specchia Stefania , Sojka Zbigniew , Kruczała Krzysztof
Published: December 2017

Carbon carriers play a triple role in the ORR, determining nanoparticle dispersion, faceting, and reaction mechanism.
Multifunctional luminescent Zn(ii)-based metal–organic framework for high proton-conductivity and detection of Cr3+ ions in the presence of mixed metal ions
Authors: Meng Xing , Wei Mei-Jie , Wang Hai-Ning , Zang Hong-Ying , Zhou Zi-Yan
Published: December 2017

A luminescent MOF with rectangular channels shows high proton conductivity up to 0.95 × 10−2 S cm−1 and selective Cr3+ sensing properties in presence of mixed metal ions.
The effect of functional groups in the aqueous-phase selective sensing of Fe(iii) ions by thienothiophene-based zirconium metal–organic frameworks and the design of molecular logic gates
Authors: Dalapati Rana , Kökçam-Demir Ülkü , Janiak Christoph , Biswas Shyam
Published: December 2017

The effect of functional groups in the fluorescence sensing of Fe(iii) ions in aqueous medium by four thienothiophene-based Zr MOFs is discussed.
Novel tetra-propyl/butylammonium encapsulated Keggin-type polyoxotungstates: synthesis, structural characterization, and catalytic capability in oxidative cleavage of unsaturated fatty acids
Authors: Enferadi-Kerenkan A. , Gandon A. , Do T. O.
Published: December 2017

Hybrid organic–inorganic Keggin compounds with organo-protected acidity resulted in high efficiency in oxidative cleavage of UFAs.
A specific demetalation of Fe–N4catalytic sites in the micropores of NC_Ar + NH3is at the origin of the initial activity loss of the highly active Fe/N/C catalyst used for the reduction of oxygen in PEM fuel cells
Authors: Chenitz Régis , Kramm Ulrike I. , Lefèvre Michel , Glibin Vassili , Zhang Gaixia , Sun Shuhui , Dodelet Jean-Pol
Published: December 2017

Micropores are largely responsible for Fe/N/C catalytic activity, but are also intrinsically responsible for the rapid initial performance loss in PEMFC.
Nano-Fe3O4particles accelerating electromethanogenesis on an hour-long timescale in wetland soil
Authors: Xiao Leilei , Liu Fanghua , Liu Jinchao , Li Jiajia , Zhang Yuechao , Yu Jiafeng , Wang Oumei
Published: December 2017

Nano-Fe3O4accelerated electromethanogenesis on an hour-long timescale by coupling syntrophic acetate oxidation and direct interspecies electron transfer in wetland soil.
Stabilizing interaction of exopolymers with nano-Se and impact on mercury immobilization in soil and groundwater
Authors: Wang Xiaonan , Song Wenjuan , Qian Haifeng , Zhang Daoyong , Pan Xiangliang , Gadd Geoffrey Michael
Published: December 2017

Stabilizing interaction of EPS with SeNPs significantly improves Hg0remediation by SeNPs in soil and groundwater.
Bacterial inactivation by a carbon nanotube–iron oxide nanocomposite: a mechanistic study usingE. colimutants
Authors: Engel Maya , Hadar Yitzhak , Belkin Shimshon , Lu Xinglin , Elimelech Menachem , Chefetz Benny
Published: December 2017

Inactivation ofE. coliby the carbon nanotube–iron oxide nanocomposite.
Synthesis of highly functional carbamates through ring-opening of cyclic carbonates with unprotected α-amino acids in water
Authors: Olsén Peter , Oschmann Michael , Johnston Eric V. , Åkermark Björn
Published: December 2017

Ring opening of cyclic carbonates with unprotected amino acids in water – a route to highly functional carbamates.
New (3-(1H-benzo[d]imidazol-2-yl))/(3-(3H-imidazo[4,5-b]pyridin-2-yl))-(1H-indol-5-yl)(3,4,5-trimethoxyphenyl)methanone conjugates as tubulin polymerization inhibitors
Authors: Mullagiri Kishore , Nayak V. Lakshma , Sunkari Satish , Mani Geeta Sai , Guggilapu Sravanthi Devi , Nagaraju Burri , Alarifi Abdullah , Kamal Ahmed
Published: December 2017

A series of new benzimidazole-indole linked phenstatin conjugates 4–6(a–i) were synthesized and evaluated for their anticancer activity.
Deposition of Au nanoparticles inside porous CeO2 nanocubes using Langmuir–Blodgett technique
Authors: Das Subhasis , Bhattacharjee Gourab , Satpati Biswarup , Kumar Mukesh , Deka Sasanka , Ghosalya Manoj Kumar , S. Gopinath Chinnakonda , Bala Tanushree
Published: December 2017

AuCl4-ions are reduced to Au0 inside the pores of CeO2 nanocubes by oleylamine, which has the dual role of capping and reducing agent.
Exothermal effects in the thermal decomposition of [IrCl6]2−-containing salts with [M(NH3)5Cl]2+ cations: [M(NH3)5Cl][IrCl6] (M = Co, Cr, Ru, Rh, Ir)
Authors: Martynova S. A. , Plyusnin P. E. , Asanova T. I. , Asanov I. P. , Pishchur D. P. , Korenev S. V. , Kosheev S. V. , Floquet S. , Cadot E. , Yusenko K. V.
Published: December 2017

[M(NH3)5Cl][IrCl6], M = Co, Cr, Ru, Rh, and Ir, were proposed as single-source precursors for bimetallic alloys. Upon heating, compounds show endothermic effect which can be corresponded with Ir(iv) reduction and ligand exchange.
A Co(ii) 1D coordination polymer constructed from 1,3-bisbenzyl-2-oxoimidazoline-4,5-dicarboxylic acid: crystal structure and magnetic properties
Authors: Scaldini Felipe Mageste , Ramalho Freitas Maria Clara , De Souza Reis Mario , Yoshida Maria Irene , Krambrock Klaus , Machado Flávia Cavalieri
Published: December 2017

A new complex involving 1,3-bisbenzyl-2-oxoimidazoline-4,5-dicarboxylic acid (H2L) and a cobalt(ii) metal ion designated [Co(L)(H2O)2]n has been synthesized under solvothermal conditions and characterized.
Enhanced gene transfection efficiency by use of peptide vectors containing laminin receptor-targeting sequence YIGSR
Authors: Meng Zhao , Kang Ziyao , Sun Chao , Yang Sen , Zhao Baoquan , Feng Siliang , Meng Qingbin , Liu Keliang
Published: December 2017

The YIGSR segment can greatly improve the gene transfection efficiency of the multifunctional peptide vector.
Flash nanoprecipitation permits versatile assembly and loading of polymeric bicontinuous cubic nanospheres
Authors: Bobbala Sharan , Allen Sean David , Scott Evan Alexander
Published: December 2017

Flash nanoprecipitation was validated for the facile fabrication and therapeutic loading of monodisperse polymeric bicontinuous nanospheres possessing primitive cubic mesophases.
Hydroxyl directed C-arylation: synthesis of 3-hydroxyflavones and 2-phenyl-3-hydroxy pyran-4-ones under transition-metal free conditions
Authors: Paul Sayantan , Bhattacharya Asish K.
Published: December 2017

Hydroxyl assisted, efficient, transition-metal free and direct C-arylation of 3-hydroxychromone and 5-hydroxy pyran-4-one moieties in the presence of a base, air as an oxidant and arylhydrazines as arylating agents to furnish highly biologically active 3-hydroxyflavones and 2-phenyl-3-hydroxy pyran-4-ones has been developed.
Target specificity of mammalian DNA methylation and demethylation machinery
Authors: Ravichandran M. , Jurkowska R. Z. , Jurkowski T. P.
Published: December 2017

We review here the molecular mechanisms employed by DNMTs and TET enzymes that are responsible for shaping the DNA methylation pattern of a mammalian cell.
Convenient synthesis of 2-amino-3-(arylthio)indoles via the Rh-catalyzed reaction of 3-diazoindol-2-imines with thioesters
Authors: Ma Fanghui , Qian Jing , Lu Ping , Wang Yanguang
Published: December 2017

2-Amino-3-(arylthio)indoles were conveniently synthesized via the Rh(ii)-catalyzed C–S/N–C coupling reaction between 3-diazoindol-2-imines and thioesters.
The renascence of continuous-flow peptide synthesis – an abridged account of solid and solution-based approaches
Authors: Gordon Christopher P.
Published: December 2017

Within a decade of Merrifield's seminal description of solid-phase peptide synthesis, the synergies between solid-phase approaches and flow synthesis were noted by a number of groups.
A regiospecific rhamnosyltransferase from Epimedium pseudowushanense catalyzes the 3-O-rhamnosylation of prenylflavonols
Authors: Feng Keping , Chen Ridao , Xie Kebo , Chen Dawei , Guo Baolin , Liu Xiao , Liu Jimei , Zhang Min , Dai Jungui
Published: December 2017

A novel rhamnosyltransferase and a UDP-rhamnose synthase were characterized and applied to the biosynthesis of bioactive prenylflavonol rhamnosides.
Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps
Authors: Jagtap Pratap R. , Císařová Ivana , Jahn Ullrich
Published: December 2017

Three steps suffice to complete a bioinspired total synthesis of tetrahydrofuran lignans using tandem addition/isomerization/dimerization and cycloetherification reactions.
Antimony-based materials as promising anodes for rechargeable lithium-ion and sodium-ion batteries
Authors: He Jun , Wei Yaqing , Zhai Tianyou , Li Huiqiao
Published: December 2017

The recent progress of Sb-based materials, including mechanisms, synthesis, design strategies and electrochemical performance for LIBs and SIBs, is reviewed.
Sterically crowded hydrogen-bonded hexagonal network frameworks
Authors: Hisaki Ichiro , Ikenaka Nobuaki , Tsuzuki Seiji , Tohnai Norimitsu
Published: December 2017

TpMeandTpFwith substituents at theortho-positions of carboxy groups were synthesized and revealed substituent effects on molecular assembly.
The preparation and application of a ROMP-type epoxy-functionalized norbornene copolymer and its hybrid alkaline anion exchange membranes
Authors: He Xiaohui , Han Zhilong , Yang Yingping , Wang Suli , Tu Guangshui , Huang Shengmei , Zhang Feng , Chen Defu
Published: December 2017

A ROMP-type epoxy-functionalized norbornene copolymer and its hybrid alkaline anion exchange membranes were prepared and studied for DMFC application.
Surface plasmon-driven catalytic reactions on a patterned Co3O4/Au inverse catalyst
Authors: Lee Si Woo , Lee Changhwan , Goddeti Kalyan C. , Kim Sun Mi , Park Jeong Young
Published: December 2017

Hot carriers generated from LSPR excitation of Au can transfer to Co3O4, thus enhancing the catalytic activity for CO oxidation.
Relaxor-like and switchable dielectric behavior in a rare noncentrosymmetric 3D iodoargentate hybrid
Authors: Yu Shan-Shan , Liu Shao-Xian , Zhu Yi-Xiao , Duan Hai-Bao , Zhang H.
Published: December 2017

A rare noncentrosymmetric three-dimensional (3D) iodoargentate hybrid, namely, [Cd(en)3]Ag2I4 (1), was prepared using a simple solution process.
Engineering the metal-binding loop at a type 1 copper center by circular permutation
Authors: Chen Honghui , Su Binbin , Zhang Tongtong , Huang Aiping , Liu Haiping , Yu Yang , Wang Jiangyun
Published: December 2017

Circular permutation of the cupredoxin azurin creates a break on the metal binding loop, highlighting the loop's flexibility.
Degradation of battery separators under charge–discharge cycles
Authors: Zhang X. , Zhu J. , Sahraei E.
Published: December 2017

Researchers have reported on the electrochemical aging of lithium-ion batteries.
Large-scale preparation of macro-porous silica microspheres via sol–gel composite particles and a spray drying process
Authors: Fan Xin , Li Songdong , Wu Yuehuan , Niu Lin
Published: December 2017

One novel method of preparing macro-porous silica microspheres on a large scale is presented here, which utilized spray drying silica/polymer composite particles and calcination.
Colorimetry and phase transition characteristics in sensing fluoride anion based on hydrazide organogelators
Authors: Ran Xia , Gao Qiongqiong , Zhang Yu , Guo Lijun
Published: December 2017

Colorimetry and phase transition characteristics in sensing fluoride anions have been achieved based on hydrazide organogelators.
Differential diagnosis of human lung tumors using surface desorption atmospheric pressure chemical ionization imaging mass spectrometry
Authors: Ouyang Yongzhong , Liu Junwen , Nie Baohua , Dong Naiping , Chen Xin , Chen Linfei , Wei YiPing
Published: December 2017

Differential diagnosis of human lung cancer in untreated tissue is achieved by DAPCI-MSI combined with multivariate statistical analysis.
Microbial oil production byMortierella isabellinafrom corn stover under different pretreatments
Authors: Zhao Chen , Deng Lu , Fang Hao , Chen Shaolin
Published: December 2017

Mixed culture ofTrichoderma reeseiandAspergillus nigerwas employed to accomplish on-site cellulase production where cellulases were applied directly to the enzymatic hydrolysis of pretreated corn stover.
Size-dependent optical properties of conjugated polymer nanoparticles
Authors: Lin Ye , Dong Chaoqing , Cao Fengwen , Xiong Liqin , Gu Hongchen , Xu Hong
Published: December 2017

The systematic understanding of size-dependent optical properties of conjugated polymer nanoparticles is rather significant to the selecting of labelling materials.
One-step solvothermal synthesis of high-emissive amphiphilic carbon dotsviarigidity derivation
Authors: Zhao Pei , Li Xuping , Baryshnikov Glib , Wu Bin , Ågren Hans , Zhang Junji , Zhu Liangliang
Published: December 2017

Here we report a chemical strategy that uses rigid molecules to straightforwardly construct amphiphilic carbon dots (ACDs) with high luminescence quantum yields (QYs).
Enhancing oxygen permeation through Fe2NiO4–Ce0.8Tb0.2O2−δcomposite membranes using porous layers activated with Pr6O11nanoparticles
Authors: García-Fayos Julio , Ruhl Rian , Navarrete Laura , Bouwmeester Henny J. M. , Serra Jose M.
Published: December 2017

Fe2NiO4–Ce0.8Tb0.2O2−δ(NFO–CTO) composite membranes are of interest to separate oxygen from air.
Porous octahedral PdCu nanocages as highly efficient electrocatalysts for the methanol oxidation reaction
Authors: Sheng Jiali , Kang Jiahui , Ye Huangqing , Xie Jinqi , Zhao Bo , Fu Xian-Zhu , Yu Yan , Sun Rong , Wong Ching-Ping
Published: December 2017

Hollow, porous, and octahedral PdCu nanocages demonstrate high performance for the methanol oxidation reaction.
A novel two-dimensional nickel phthalocyanine-based metal–organic framework for highly efficient water oxidation catalysis
Authors: Jia Hongxing , Yao Yuchuan , Zhao Jiangtao , Gao Yuyue , Luo Zhenlin , Du Pingwu
Published: December 2017

For the first time, we report herein bottom-up fabrication of a conductive nickel phthalocyanine-based 2D MOF and use it as a highly active electrocatalyst for OER (overpotential < 250 mV) without further pyrolysis or adding conductive materials, which can facilitate the development of 2D MOFs for energy applications.
Facile and template-free fabrication of mesoporous 3D nanosphere-like MnxCo3−xO4 as highly effective catalysts for low temperature SCR of NOx with NH3
Authors: Hu Xiaonan , Huang Lei , Zhang Jianping , Li Hongrui , Zha Kaiwen , Shi Liyi , Zhang Dengsong
Published: December 2017

Mesoporous 3D nanosphere-like MnxCo3−xO4 was obtained via a template-free method. The formation mechanism was proposed and the synthesis conditions were carefully investigated. The operating temperature window was 75–325 °C when the NOx conversion was above 80%.
Monolithic aerogel photocatalysts: a review
Authors: Wan Wenchao , Zhang Ruiyang , Ma Minzhi , Zhou Ying
Published: December 2017

This review has summarized the recent developments of aerogel photocatalysts along with their fabrication strategies and photocatalytic applications.
Functional characterization of the Ca2+-ATPase SMA1 from Schistosoma mansoni
Authors: Maréchal Xavier , De Mendonça Ricardo , Miras Roger , Revilloud Jean , Catty Patrice
Published: December 2017

Schistosoma mansoni is a parasite that causes bilharzia, a neglected tropical disease affecting hundreds of millions of people each year worldwide. In 2012, S. mansoni had been identified as the only invertebrate possessing two SERCA-type Ca2+-ATPases, SMA1 and SMA2. However, our analysis of recent genomic data shows that the presence of two SERCA pumps is rather frequent in parasitic flatworms. To understand the reasons of this redundancy in S. mansoni, we compared SMA1 and SMA2 at different levels. In terms of sequence and organization, the genes SMA1 and SMA2 are similar, suggesting that they might be the result of a duplication event. At the protein level, SMA1 and SMA2 only slightly differ in length and in the sequence of the nucleotide-binding domain. To get functional information on SMA1, we produced it in an active form in Saccharomyces cerevisiae, as previously done for SMA2. Using phosphorylation assays from ATP, we demonstrated that like SMA2, SMA1 bound calcium in a cooperative mode with an apparent affinity in the micromolar range. We also showed that SMA1 and SMA2 had close sensitivities to cyclopiazonic acid but different sensitivities to thapsigargin, two specific inhibitors of SERCA pumps. On the basis of transcriptomic data available in GeneDB, we hypothesize that SMA1 is a housekeeping Ca2+-ATPase, whereas SMA2 might be required in particular striated-like muscles like those present the tail of the cercariae, the infecting form of the parasite.
Decoding the molecular switches of natriuretic peptides which differentiate its vascular and renal functions
Authors: Sridharan Sindhuja , Kini R. Manjunatha
Published: December 2017

Heart failure (HF) is associated with high morbidity and mortality. Dysfunction of blood pressure and/or volume homeostatic processes result in lower perfusion and/or congestion. Treatment strategies exerting differential effects on pressure and volume mechanisms are critical in handling patients with HF. Atrial natriuretic peptides (ANPs) are a key hormone in maintaining circulation. It binds to NP receptor-A (NPR-A) on vasculature, kidneys and nervous system to lowers blood pressure and volume. It exerts a concentration-dependent pharmacological activity, and only increased renal excretion of water and sodium at low doses and vasodilation along with renal effects at slightly higher doses. Recently, we showed that K-Ring (conserved ring of krait venom NP) elicited only vasodilatory properties despite its ability to evoke NPR-A. Through systematic analysis of the structure–function relationships of K-Ring, we have delineated the molecular switches that control vasodilatory and diuretic properties of NPs in anesthetized rats. In the process, we have identified residues that — (a) differentiate vascular and renal functions, (b) affect heart rate and pulse pressure, (c) exhibit sustained effect on vasodilatory function and (d) forceful diuresis switches. Furthermore, we have shown these residues to have equivalent effects on ANP scaffold, thereby introducing modularity in designing function-based ANP analogs. By comparing the ability of designed NPs to evoke cGMP levels, we propose a hypothetical mechanism for the observed tissue-specific effects. The present study opens new avenues in the development of suitable therapeutic agents for personalized care for HF patients.
Evaluation of METase-pemetrexed-loaded PEG–PLGA nanoparticles modified with anti-CD133–scFV for treatment of gastric carcinoma
Authors: Xin Lin , Zhang Hou-Ting , Yang Wei-Feng , Li Yi-Fan , Liu Chuan
Published: December 2017

PEG–PLGA nanoparticles (NPs) modified with anti-CD133 and tumor-targeting single-chain antibody fragment (scFV–NPs) for systemic delivery of methioninase (METase) and pemetrexed for gastric carcinoma were successfully formulated. The structure characterization and biological functions of METase-pemetrexed-loaded scFV–PEG–PLGA NPs (scFV–METase/pemetrexed–NPs) in vitro were investigated. Functional scFV–PEG–PLGA NPs or PEG–PLGA NPs present low cell cytoxicity in CD133+ SGC7901 cells. scFV–METase/pemetrexed–NPs (scFv–M/P–NP) was more effective in inhibiting tumor growth (including cell growth and migration ability) in CD133 positive expressed gastric cancer cells than METase/pemetrexed-NPs (M/P–NP). Moreover, METase enhanced the inhibitory effect of pemetrexed on thymidylate synthase (TS) synthesis and cell apoptosis. We have demonstrated the application of scFV-targeted PEG–PLGA NPs as a new potential strategy to enhance treatment benefits for gastric carcinoma.
The MAPK hypothesis: immune-regulatory effects of MAPK-pathway genetic dysregulations and implications for breast cancer immunotherapy
Authors: Bedognetti Davide , Roelands Jessica , Decock Julie , Wang Ena , Hendrickx Wouter
Published: December 2017

With the advent of checkpoint inhibition, immunotherapy has revolutionized the clinical management of several cancers, but has demonstrated limited efficacy in mammary carcinoma. Transcriptomic profiling of cancer samples defined distinct immunophenotypic categories characterized by different prognostic and predictive connotations. In breast cancer, genomic alterations leading to the dysregulation of mitogen-activated protein kinase (MAPK) pathways have been linked to an immune-silent phenotype associated with poor outcome and treatment resistance. These aberrations include mutations of MAP3K1 and MAP2K4, amplification of KRAS, BRAF, and RAF1, and truncations of NF1. Anticancer therapies targeting MAPK signaling by BRAF and MEK inhibitors have demonstrated clear immunologic effects. These off-target properties could be exploited to convert the immune-silent tumor phenotype into an immune-active one. Preclinical evidence supports that MAPK-pathway inhibition can dramatically increase the efficacy of immunotherapy. In this review, we provide a detailed overview of the immunomodulatory impact of MAPK-pathway blockade through BRAF and MEK inhibitions. While BRAF inhibition might be relevant in melanoma only, MEK inhibition is potentially applicable to a wide range of tumors. Context-dependent similarities and differences of MAPK modulation will be dissected, in light of the complexity of the MAPK pathways. Therapeutic strategies combining the favorable effects of MAPK-oriented interventions on the tumor microenvironment while maintaining T-cell function will be presented. Finally, we will discuss recent studies highlighting the rationale for the implementation of MAPK-interference approaches in combination with checkpoint inhibitors and immune agonists in breast cancer.
Substrate‐integrated low‐profile unidirectional antenna
Authors: Shuai Chen‐Yang , Wang Guang‐Ming
Published: December 2017

In this study, a novel substrate integrated low‐profile magneto‐electric dipole antenna is proposed and investigated. The proposed antenna is composed of semi‐circular patches as an electric dipole, vertical plated through holes which are shorted to the ground as a magnetic dipole, a modified ground, and a rectangular reflector for enhancing the gain. The antenna is fed via a Γ‐shaped probe. The entire structure is achieved by the multilayer printed circuit board technology, and it is suitable for mass production and low cost. By introducing the defected ground structure, the total thickness of the proposed antenna is decreased to 0.082λ0 (where λ0 is the free‐space wavelength at 5.5 GHz). To improve the impedance matching, two open slots are etched on the semi‐circular patches. An antenna prototype was fabricated and measured. The results illustrate that the antenna obtains a broad bandwidth of 14.7% from 5.10 to 5.91 GHz (voltage standing wave ratio (VSWR) ≤ 2). Moreover, the stable gain and unidirectional radiation patterns with low back lobe and low cross polarisation in the E‐ and H‐plane are obtained over the operating frequency band. It is demonstrated that the antenna satisfies the requirements of 5G wireless local area network, worldwide interoperability for microwave access (WiMAX), and WiFi.
Junctionless based dielectric modulated electrically doped tunnel FET based biosensor for label‐free detection
Authors: Chandan Bandi Venkata , Nigam Kaushal , Sharma Dheeraj
Published: December 2017

The fabrication complexity and cost effectiveness in nanoscale regime have been one of the major issues in the modern biosensor. Therefore, to overcome such issue, this study investigates a junctionless dielectrically modulated electrically doped tunnel field effect transistor (FET) as a biosensor for application of label free detection. In this work, the authors have been considered the heavily doped silicon layer and two isolate gates for the formation of intrinsic and source regions underneath the control gate (CG) and polarity gate (PG) with appropriate work functions and polarity bias over silicon body which are similar to that of conventional tunnel FET. The proposed device structure is immune against doping control issues, avoids thermal budget, and fabrication issues. Moreover, the formation of nanogap cavity embedded within the CG dielectric is performed by etching of CG dielectric region towards the PG side for the purpose of sensing the biomolecules. The sensing ability of the proposed device has been evaluated in terms of varying the dielectric constant and charge density of the biomolecules. However, transfer characteristics are also evaluated with the variation in thickness and length of the cavity. All the simulations have been performed using ATLAS technology computer aided design device simulator.
Super-sample covariance approximations and partial sky coverage
Authors: Lacasa Fabien , Lima Marcos , Aguena Michel
Published: December 2017

Super-sample covariance (SSC) is the dominant source of statistical error on large scale structure (LSS) observables for both current and future galaxy surveys. In this work, we concentrate on the SSC of cluster counts, also known as sample variance, which is particularly useful for the self-calibration of the cluster observable-mass relation; our approach can similarly be applied to other observables, such as galaxy clustering and lensing shear. We first examined the accuracy of two analytical approximations proposed in the literature for the flat sky limit, finding that they are accurate at the 15% and 30–35% level, respectively, for covariances of counts in the same redshift bin. We then developed a harmonic expansion formalism that allows for the prediction of SSC in an arbitrary survey mask geometry, such as large sky areas of current and future surveys. We show analytically and numerically that this formalism recovers the full sky and flat sky limits present in the literature. We then present an efficient numerical implementation of the formalism, which allows fast and easy runs of covariance predictions when the survey mask is modified. We applied our method to a mask that is broadly similar to the Dark Energy Survey footprint, finding a non-negligible negative cross-z covariance, i.e. redshift bins are anti-correlated. We also examined the case of data removal from holes due to, for example bright stars, quality cuts, or systematic removals, and find that this does not have noticeable effects on the structure of the SSC matrix, only rescaling its amplitude by the effective survey area. These advances enable analytical covariances of LSS observables to be computed for current and future galaxy surveys, which cover large areas of the sky where the flat sky approximation fails.
A universal relation for the propeller mechanisms in magnetic rotating stars at different scales
Authors: Campana Sergio , Stella Luigi , Mereghetti Sandro , de Martino Domitilla
Published: December 2017

Accretion of matter onto a magnetic, rotating object can be strongly affected by the interaction with its magnetic field. This occurs in a variety of astrophysical settings involving young stellar objects, white dwarfs, and neutron stars. As matter is endowed with angular momentum, its inflow toward the star is often mediated by an accretion disc. The pressure of matter and that originating from the stellar magnetic field balance at the magnetospheric radius: at smaller distances the motion of matter is dominated by the magnetic field, and funnelling towards the magnetic poles ensues. However, if the star, and thus its magnetosphere, is fast spinning, most of the inflowing matter will be halted at the magnetospheric radius by centrifugal forces, resulting in a characteristic reduction of the accretion luminosity. The onset of this mechanism, called the propeller, has been widely adopted to interpret a distinctive knee in the decaying phase of the light curve of several transiently accreting X-ray pulsar systems. By comparing the observed luminosity at the knee for different classes of objects with the value predicted by accretion theory on the basis of the independently measured magnetic field, spin period, mass, and radius of the star, we disclose here a general relation for the onset of the propeller which spans about eight orders of magnitude in spin period and ten in magnetic moment. The parameter-dependence and normalisation constant that we determine are in agreement with basic accretion theory.
Inefficient jet-induced star formation in Centaurus A
Authors: Salomé Q. , Salomé P. , Miville-Deschênes M.-A. , Combes F. , Hamer S.
Published: December 2017

NGC 5128 (Centaurus A) is one of the best targets to study AGN feedback in the local Universe. At 13.5 kpc from the galaxy, optical filaments with recent star formation lie along the radio jet direction. This region is a testbed for positive feedback, here through jet-induced star formation. Atacama Pathfinder EXperiment (APEX) observations have revealed strong CO emission in star-forming regions and in regions with no detected tracers of star formation activity. In cases where star formation is observed, this activity appears to be inefficient compared to the Kennicutt-Schmidt relation. We used the Atacama Large Millimeter/submillimeter Array (ALMA) to map the 12CO(1–0) emission all along the filaments of NGC 5128 at a resolution of 1.3′′ ~ 23.8pc. We find that the CO emission is clumpy and is distributed in two main structures: (i) the Horseshoe complex, located outside the HI cloud, where gas is mostly excited by shocks and where no star formation is observed, and (ii) the Vertical filament, located at the edge of the HI shell, which is a region of moderate star formation. We identified 140 molecular clouds using a clustering method applied to the CO data cube. A statistical study reveals that these clouds have very similar physical properties, such as size, velocity dispersion, and mass, as in the inner Milky Way. However, the range of radius available with the present ALMA observations does not enable us to investigate whether or not the clouds follow the Larson relation. The large virial parameter αvir of the clouds suggests that gravity is not dominant and clouds are not gravitationally unstable. Finally, the total energy injection in the northern filaments of Centaurus A is of the same order as in the inner part of the Milky Way. The strong CO emission detected in the northern filaments is an indication that the energy injected by the jet acts positively in the formation of dense molecular gas. The relatively high virial parameter of the molecular clouds suggests that the injected kinetic energy is too strong for star formation to be efficient. This is particularly the case in the horseshoe complex, where the virial parameter is the largest and where strong CO is detected with no associated star formation. This is the first evidence of AGN positive feedback in the sense of forming molecular gas through shocks, associated with low star formation efficiency due to turbulence injection by the interaction with the radio jet.
Challenges in the determination of the interstellar flow longitude from the pickup ion cutoff
Authors: Taut A. , Berger L. , Möbius E. , Drews C. , Heidrich-Meisner V. , Keilbach D. , Lee M. A. , Wimmer-Schweingruber R. F.
Published: December 2017

Context. The interstellar flow longitude corresponds to the Sun’s direction of movement relative to the local interstellar medium. Thus, it constitutes a fundamental parameter for our understanding of the heliosphere and, in particular, its interaction with its surroundings, which is currently investigated by the Interstellar Boundary EXplorer (IBEX). One possibility to derive this parameter is based on pickup ions (PUIs) that are former neutral ions that have been ionized in the inner heliosphere. The neutrals enter the heliosphere as an interstellar wind from the direction of the Sun’s movement against the partially ionized interstellar medium. PUIs carry information about the spatial variation of their neutral parent population (density and flow vector field) in their velocity distribution function. From the symmetry of the longitudinal flow velocity distribution, the interstellar flow longitude can be derived.

Aim. The aim of this paper is to identify and eliminate systematic errors that are connected to this approach of measuring the interstellar flow longitude; we want to minimize any systematic influences on the result of this analysis and give a reasonable estimate for the uncertainty.

Methods. We use He+ data measured by the PLAsma and SupraThermal Ion Composition (PLASTIC) sensor on the Solar TErrestrial RElations Observatory Ahead (STEREO A) spacecraft. We analyze a recent approach, identify sources of systematic errors, and propose solutions to eliminate them. Furthermore, a method is introduced to estimate the error associated with this approach. Additionally, we investigate how the selection of interplanetary magnetic field angles, which is closely connected to the pickup ion velocity distribution function, affects the result for the interstellar flow longitude.

Results. We find that the revised analysis used to address part of the expected systematic effects obtains significantly different results than presented in the previous study. In particular, the derived uncertainties are considerably larger. Furthermore, an unexpected systematic trend of the resulting interstellar flow longitude with the selection of interplanetary magnetic field orientation is uncovered.
Substructure and merger detection in resolved NIKA Sunyaev-Zel’dovich images of distant clusters
Authors: Adam R. , Hahn O. , Ruppin F. , Ade P. , André P. , Arnaud M. , Bartalucci I. , Beelen A. , Benoît A. , Bideaud A. , Billot N. , Bourrion O. , Calvo M. , Catalano A. , Coiffard G. , Comis B. , D’Addabbo A. , Désert F.-X. , Doyle S. , Ferrari C. , Goupy J. , Kramer C. , Lagache G. , Leclercq S. , Lestrade J.-F. , Macías-Pérez J. F. , Martinez Aviles G. , Martizzi D. , Maurogordato S. , Mauskopf P. , Mayet F. , Monfardini A. , Pajot F. , Pascale E. , Perotto L. , Pisano G. , Pointecouteau E. , Ponthieu N. , Pratt G. W. , Revéret V. , Ricci M. , Ritacco A. , Rodriguez L. , Romero C. , Roussel H. , Schuster K. , Sievers A. , Triqueneaux S. , Tucker C. , Wu H.-Y. , Zylka R.
Published: December 2017

Substructures in the hot gas atmosphere of galaxy clusters are related to their formation history and to the astrophysical processes at play in the intracluster medium (ICM). The thermal Sunyaev-Zel’dovich (tSZ) effect is directly sensitive to the line-of-sight integrated ICM pressure, and is thus particularly adapted to study ICM substructures. In this paper, we apply structure-enhancement filtering algorithms to high-resolution tSZ observations (e.g., NIKA) of distant clusters in order to search for pressure discontinuities, compressions, and secondary peaks in the ICM. The same filters are applied to toy-model images and to synthetic tSZ images extracted from RHAPSODY-G cosmological hydrodynamic simulations, in order to better interpret the extracted features. We also study the noise propagation through the filters and quantify the impact of systematic effects, such as data-processing-induced artifacts and point-source residuals, the latter being identified as the dominant potential contaminant. In three of our six NIKA-observed clusters we identify features at high signal-to-noise ratio that show clear evidence for merger events. In MACS J0717.5+3745 (z= 0.55), three strong pressure gradients are observed on the east, southeast, and west sectors, and two main peaks in the pressure distribution are identified. We observe a lack of tSZ compact structure in the cool-core cluster PSZ1 G045.85+57.71 (z= 0.61), and a tSZ gradient ridge dominates in the southeast. In the highest redshift cluster, CL J1226.9+3332 (z= 0.89), we detect a ridge pressure gradient of ~45 arcsec (360 kpc) in length associated with a secondary pressure peak in the west region. Our results show that current tSZ facilities have now reached the angular resolution and sensitivity to allow an exploration of the details of pressure substructures in clusters, even at high redshift. This opens the possibility to quantify the impact of the dynamical state on the relation between the tSZ signal and the mass of clusters, which is important when using tSZ clusters to test cosmological models. This work also marks the first NIKA cluster sample data release.