bluuebunny/crossref_metadata_2025 huggingface dataset:
Kinetic gating mechanism of DNA damage recognition by Rad4/XPC
Authors: Chen Xuejing , Velmurugu Yogambigai , Zheng Guanqun , Park Beomseok , Shim Yoonjung , Kim Youngchang , Liu Lili , Van Houten Bennett , He Chuan , Ansari Anjum , Min Jung-Hyun
Published: January 2015

The xeroderma pigmentosum C (XPC) complex initiates nucleotide excision repair by recognizing DNA lesions before recruiting downstream factors. How XPC detects structurally diverse lesions embedded within normal DNA is unknown. Here we present a crystal structure that captures the yeast XPC orthologue (Rad4) on a single register of undamaged DNA. The structure shows that a disulphide-tethered Rad4 flips out normal nucleotides and adopts a conformation similar to that seen with damaged DNA. Contrary to many DNA repair enzymes that can directly reject non-target sites as structural misfits, our results suggest that Rad4/XPC uses a kinetic gating mechanism whereby lesion selectivity arises from the kinetic competition between DNA opening and the residence time of Rad4/XPC per site. This mechanism is further supported by measurements of Rad4-induced lesion-opening times using temperature-jump perturbation spectroscopy. Kinetic gating may be a general mechanism used by site-specific DNA-binding proteins to minimize time-consuming interrogations of non-target sites.
Antibiotics in ingested human blood affect the mosquito microbiota and capacity to transmit malaria
Authors: Gendrin Mathilde , Rodgers Faye H. , Yerbanga Rakiswendé S. , Ouédraogo Jean Bosco , Basáñez María-Gloria , Cohuet Anna , Christophides George K.
Published: January 2015

Malaria reduction is most efficiently achieved by vector control whereby human populations at high risk of contracting and transmitting the disease are protected from mosquito bites. Here, we identify the presence of antibiotics in the blood of malaria-infected people as a new risk of increasing disease transmission. We show that antibiotics in ingested blood enhance the susceptibility of Anopheles gambiae mosquitoes to malaria infection by disturbing their gut microbiota. This effect is confirmed in a semi-natural setting by feeding mosquitoes with blood of children naturally infected with Plasmodium falciparum. Antibiotic exposure additionally increases mosquito survival and fecundity, which are known to augment vectorial capacity. These findings suggest that malaria transmission may be exacerbated in areas of high antibiotic usage, and that regions targeted by mass drug administration programs against communicable diseases may necessitate increased vector control.
Full-Sun observations for identifying the source of the slow solar wind
Authors: Brooks David H. , Ugarte-Urra Ignacio , Warren Harry P.
Published: January 2015

Fast (>700 km s−1) and slow (~400 km s−1) winds stream from the Sun, permeate the heliosphere and influence the near-Earth environment. While the fast wind is known to emanate primarily from polar coronal holes, the source of the slow wind remains unknown. Here we identify possible sites of origin using a slow solar wind source map of the entire Sun, which we construct from specially designed, full-disk observations from the Hinode satellite, and a magnetic field model. Our map provides a full-Sun observation that combines three key ingredients for identifying the sources: velocity, plasma composition and magnetic topology and shows them as solar wind composition plasma outflowing on open magnetic field lines. The area coverage of the identified sources is large enough that the sum of their mass contributions can explain a significant fraction of the mass loss rate of the solar wind.
The multilayer temporal network of public transport in Great Britain
Authors: Gallotti Riccardo , Barthelemy Marc
Published: January 2015

Despite the widespread availability of information concerning public transport coming from different sources, it is extremely hard to have a complete picture, in particular at a national scale. Here, we integrate timetable data obtained from the United Kingdom open-data program together with timetables of domestic flights, and obtain a comprehensive snapshot of the temporal characteristics of the whole UK public transport system for a week in October 2010. In order to focus on multi-modal aspects of the system, we use a coarse graining procedure and define explicitly the coupling between different transport modes such as connections at airports, ferry docks, rail, metro, coach and bus stations. The resulting weighted, directed, temporal and multilayer network is provided in simple, commonly used formats, ensuring easy access and the possibility of a straightforward use of old or specifically developed methods on this new and extensive dataset.
High-Pressure Orthorhombic Ferromagnesite as a Potential Deep-Mantle Carbon Carrier
Authors: Liu Jin , Lin Jung-Fu , Prakapenka Vitali B.
Published: January 2015

Knowledge of the physical and chemical properties of candidate deep-carbon carriers such as ferromagnesite [(Mg,Fe)CO3] at high pressure and temperature of the deep mantle is necessary for our understanding of deep-carbon storage as well as the global carbon cycle of the planet. Previous studies have reported very different scenarios for the (Mg,Fe)CO3 system at deep-mantle conditions including the chemical dissociation to (Mg,Fe)O+CO2, the occurrence of the tetrahedrally-coordinated carbonates based on CO4 structural units and various high-pressure phase transitions. Here we have studied the phase stability and compressional behavior of (Mg,Fe)CO3 carbonates up to relevant lower-mantle conditions of approximately 120 GPa and 2400 K. Our experimental results show that the rhombohedral siderite (Phase I) transforms to an orthorhombic phase (Phase II with Pmm2 space group) at approximately 50 GPa and 1400 K. The structural transition is likely driven by the spin transition of iron accompanied by a volume collapse in the Fe-rich (Mg,Fe)CO3 phases; the spin transition stabilizes the high-pressure phase II at much lower pressure conditions than its Mg-rich counterpart. It is conceivable that the low-spin ferromagnesite phase II becomes a major deep-carbon carrier at the deeper parts of the lower mantle below 1900 km in depth.
Online multi-channel microfluidic chip-mass spectrometry and its application for quantifying noncovalent protein–protein interactions
Authors: Liu Wu , Chen Qiushui , Lin Xuexia , Lin Jin-Ming
Published: January 2015

An online chip-MS platform interfaced by paper spray ionization has been developed in an automatic manner for multi-channel microfluidics, as demonstrated by the quantitation of dimer–tetramer interaction of concanavalin A.
Photocatalytic hydrogen evolution over β-iron silicide under infrared-light irradiation
Authors: Yoshimizu Masaharu , Kobayashi Ryoya , Saegusa Makoto , Takashima Toshihiro , Funakubo Hiroshi , Akiyama Kensuke , Matsumoto Yoshihisa , Irie Hiroshi
Published: January 2015

We investigated the ability of β-FeSi2 (0.80 eV) to serve as a hydrogen (H2)-evolution photocatalyst, sensitive to infrared light (>1300 nm).
A binding-induced sutured toehold activation for controllable DNA strand displacement reactions
Authors: Zhu Jing , Wang Lei , Jiang Wei
Published: January 2015

Leveraging upon the environmental stimuli-responsive hairpin reconfiguration, a novel toehold activation strategy for controlling the DNA strand displacement was developed.
The promotion effect of surface negative electrostatic field on the photogenerated charge separation of BiVO4 and its contribution to the enhanced PEC water oxidation
Authors: Xie Mingzheng , Bian Ji , Humayun Muhammad , Qu Yang , Feng Yujie , Jing Liqiang
Published: January 2015

The surface-carried negative charge of BiVO4 is favorable for the charge separation, leading to obviously enhanced visible-light-activity for PEC water oxidation.
Lanthanide contraction effects on the structures, thermostabilities, and CO2 adsorption and separation behaviors of isostructural lanthanide–organic frameworks
Authors: Mu Weijun , Huang Xin , Zhong Ruiqin , Xia Wei , Liu Jia , Zou Ruqiang
Published: January 2015

A systematic investigation of the CO2 adsorption and separation behaviours of fourteen isostructural lanthanide–organic frameworks of lanthanide benzenetricarboxylate is executed.
Phase formations and magnetic properties of single crystal nickel ferrite (NiFe2O4) with different morphologies
Authors: Shan Aixian , Wu Xue , Lu Jing , Chen Chinping , Wang Rongming
Published: January 2015

Nickel ferrite nanomaterials with different morphologies, including nano-spheres, nano-rods and nano-octahedrons have been synthesized by a single mild hydrothermal method at 160 °C without any surfactant.
Nucleic acid aptamers in cancer research, diagnosis and therapy
Authors: Ma Haitao , Liu Jinping , Ali M. Monsur , Mahmood M. Arif Iftakher , Labanieh Louai , Lu Mengrou , Iqbal Samir M. , Zhang Qun , Zhao Weian , Wan Yuan
Published: January 2015

A comprehensive, up-to-date aptamer review with a specific focus on the cancer field.
Inter-ligand azo (NN) unit formation and stabilization of a Co(ii)-diradical complex via metal-to-ligand dπ–pπ* back donation: synthesis, characterization, and theoretical study
Authors: Rakshit Richa , Ghorai Samir , Sarmah Amrit , Tiwari Archana , Roy Ram Kinkar , Mukherjee Chandan
Published: January 2015

Ligand H2Rich(AP)N3 provided a diradical-containing Co(ii) complexviaan inter-ligand azo (NN) bond formation.
Unprecedented structural variations in trinuclear mixed valence Co(ii/iii) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities
Authors: Hazari Alokesh , Kanta Das Lakshmi , Kadam Ramakant M. , Bauzá Antonio , Frontera Antonio , Ghosh Ashutosh
Published: January 2015

Cis–trans configurational changes of trinuclear mixed valence Co(ii/iii) complexes of a Schiff base ligand and an unusual structure with its reduced form are reported.
Effects of the electronic structure of five-membered N-heterocyclic carbenes on insertion of silanes and boranes into the NHC C–N bond
Authors: Iversen Kalon J. , Wilson David J. D. , Dutton Jason L.
Published: January 2015

The effect of varying the N-heterocyclic carbene (NHC) ligand on the ring expansion and endocyclic C–N activation of NHCs by silanes and boranes has been investigated with theoretical methods.
1,2,4-Triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte for all-solid-state fuel cells
Authors: Luo Jiangshui , Jensen Annemette H. , Brooks Neil R. , Sniekers Jeroen , Knipper Martin , Aili David , Li Qingfeng , Vanroy Bram , Wübbenhorst Michael , Yan Feng , Van Meervelt Luc , Shao Zhigang , Fang Jianhua , Luo Zheng-Hong , De Vos Dirk E. , Binnemans Koen , Fransaer Jan
Published: January 2015

Protic organic ionic plastic crystals (POIPCs) are shown to be novel anhydrous solid-state proton conductors for fuel cells.
A three-dimensional porous LiFePO4 cathode material modified with a nitrogen-doped graphene aerogel for high-power lithium ion batteries
Authors: Wang Bo , Al Abdulla Wael , Wang Dianlong , Zhao X. S.
Published: January 2015

LFP@N-GA with (010) facet oriented LFP NPs embedded in N-GA provides both rapid Li+ and electron pathways in the electrode as well as short Li+ diffusion length in LFP crystals.
Determination of a localized surface plasmon resonance mode of Cu7S4 nanodisks by plasmon coupling
Authors: Chen L. , Sakamoto M. , Sato R. , Teranishi T.
Published: January 2015

Plasmon properties such as peak position, extinction cross-section and local electric field intensity are strongly dependent on excited, localized surface plasmon resonance (LSPR) modes. In non-spherical copper chalcogenide nanoparticles, assignment of the LSPR peaks to the corresponding oscillation modes has been controversial and requires experimental verification. We determined the in-plane LSPR mode of roxbyite Cu7S4 nanodisks from the plasmon coupling effect of nanodisks in solution. Compared with individual Cu7S4 nanodisks, self-assembled Cu7S4 nanodisk arrays in chloroform exhibited a blue-shifted LSPR peak with weaker optical density. This strongly suggests that the singular LSPR peak in the near-infrared region mainly originates from the in-plane oscillation mode. In addition, we demonstrate that the same LSPR peak can be readily tuned by controlling the number of disks in the array.
Determination and speciation of Hg using HPLC-AFS by atomization of this metal on a UV/nano-ZrO2/HCOOH photocatalytic reduction unit
Authors: Li Huamin , Xu Zhiguo , Yang Limin , Wang Qiuquan
Published: January 2015

A novel UV/nano-ZrO2/HCOOH atomization system was developed as a sample introduction unit and an online interface between HPLC and AFS for the determination and speciation of Hg for the first time.
Scaling of pneumatic digital logic circuits
Authors: Duncan Philip N. , Ahrar Siavash , Hui Elliot E.
Published: January 2015

We present strategies for scaling pneumatic logic circuits to smaller dimensions. Our process achieves order-of-magnitude increases in both circuit density and speed, enabling the construction of a 12-bit counter.
Correction: Non-faradaic impedance characterization of an evaporating droplet for microfluidic and biosensing applications
Authors: Dak Piyush , Ebrahimi Aida , Alam Muhammad A.
Published: January 2015

Correction for ‘Non-faradaic impedance characterization of an evaporating droplet for microfluidic and biosensing applications’ by Piyush Dak et al., Lab Chip, 2014, 14, 2469–2479.
lncRNA-MFDL: identification of human long non-coding RNAs by fusing multiple features and using deep learning
Authors: Fan Xiao-Nan , Zhang Shao-Wu
Published: January 2015

By fusing multiple features and using deep learning algorithms, a lncRNA-MFDL predictor was developed to identify lncRNAs, which is much more effective and robust.
Discrimination of membrane transporter protein types using K-nearest neighbor method derived from the similarity distance of total diversity measure
Authors: Zuo Yong-Chun , Su Wen-Xia , Zhang Shi-Hua , Wang Shan-Shan , Wu Cheng-Yan , Yang Lei , Li Guang-Peng
Published: January 2015

Membrane transporters play crucial roles in the fundamental cellular processes of living organisms.
Influence of the fused hetero-aromatic centers on molecular conformation and photovoltaic performance of solution-processed organic solar cells
Authors: Dang Dongfeng , Fan Jiang , Wang Xiangdong , Xiao Manjun , Shi Junwei , Zhou Pei , Duan Xiongwei , Lei Gangtie , Liu Yu , Zhu Weiguo
Published: January 2015

Tuning the thiophene-fused building centers is a facile way to alter the molecular conformation and enhance photovoltaic performance.
Facile synthesis of shape-controlled graphene–polyaniline composites for high performance supercapacitor electrode materials
Authors: Feng Xiaomiao , Chen Ningna , Zhou Jinhua , Li Yi , Huang Zhendong , Zhang Lei , Ma Yanwen , Wang Lianhui , Yan Xiaohong
Published: January 2015

The shape-controlled graphene–PANI nanocomposites showing excellent performance as supercapacitor electrode materials were successfully prepared by a facile hydrothermal method without any surfactants.
Porous nickel oxide nanotube arrays supported on carbon fiber paper: synergistic effect on pseudocapacitive behavior
Authors: Han Bin , Lee Eun Joo , Kim Ji Yeon , Bang Jin Ho
Published: January 2015

Hierarchically nanostructured NiO nanotube arrays supported on carbon fiber paper (CFP) are synthesized via a simple ZnO-template method and utilized as supercapacitor electrodes.
Self-healing for nanolayered manganese oxides in the presence of cerium(iv) ammonium nitrate: new findings
Authors: Najafpour Mohammad Mahdi , Khoshkam Maryam , Jafarian Sedigh Davood , Zahraei Ali , Kompany-Zareh Mohsen
Published: January 2015

We used multivariate chemometrics methods to analyze the concentration profiles of cerium(iv) ammonium nitrate and MnO4−during the water oxidation reaction.
Anion-assisted one-pot synthesis of 1D magnetic α- and β-MnO2 nanostructures for recyclable water treatment application
Authors: Kuang Pan-Yong , Liang Min-Hua , Kong Wan-Yi , Liu Zhao-Qing , Guo Yun-Ping , Wang Hong-Juan , Li Nan , Su Yu-Zhi , Chen Shuang
Published: January 2015

The as-prepared MnO2, especially β-MnO2, exhibits superior degradation ability compared to the conventional adsorbents.
An intestinal Trojan horse for gene delivery
Authors: Peng Haisheng , Wang Chao , Xu Xiaoyang , Yu Chenxu , Wang Qun
Published: January 2015

A novel intestinal “Trojan horse” for potential gene therapy of intestinal disorders.
Insights into the effects of surface properties of oxides on the catalytic activity of Pd for C–C coupling reactions
Authors: Zhang Sai , Li Jing , Gao Wei , Qu Yongquan
Published: January 2015

It has been experimentally found that ceria supports with strong basicity and high concentration of O-vacancies significantly enrich the electron density of Pd catalysts and accelerate the step of oxidative addition for C–C coupling reaction. The FTIR and XPS provide strong evidence supporting for this interfacial effect.
Total synthesis of a thromboxane receptor antagonist, terutroban
Authors: Ahmed Wasim , Mainkar Prathama S. , Pabbaraja Srihari , Chandrasekhar Srivari
Published: January 2015

Synthesis of terutroban (2) is achieved following a non-Diels–Alder approach using cost-effective chemicals.
Synthesis of 7-alkylidene-7,12-dihydroindolo[3,2-d]benzazepine-6-(5H)-ones (7-alkylidene-paullones) by N-cyclization–oxidative Heck cascade and characterization as sirtuin modulators
Authors: Denis J. G. , Franci G. , Altucci L. , Aurrecoechea J. M. , de Lera Á. R. , Álvarez R.
Published: January 2015

A palladium-induced cascade of N-cyclization and oxidative Heck reaction of o-alkynylanilines produced 7-alkylidene-indolobenzazepinones (paullones) that have sirtuin modulation activities.
TEMPO-mediated homocoupling of aryl Grignard reagents: mechanistic studies
Authors: Murarka Sandip , Möbus Juri , Erker Gerhard , Mück-Lichtenfeld Christian , Studer Armido
Published: January 2015

The mechanism of TEMPO mediated oxidative homo-coupling of aryl Grignard reagents to biphenyls is investigated in detail by experimental and computational studies.
Simple, versatile, and chemoselective reduction of secondary amides and lactams to amines with the Tf2O–NaBH4 or Cp2ZrHCl–NaBH4 system
Authors: Huang Pei-Qiang , Geng Hui
Published: January 2015

A convenient method for the direct reduction of secondary amides and lactams to amines is reported.
Prodigiosin alkaloids: recent advancements in total synthesis and their biological potential
Authors: Nisha Nisha , Kumar Kewal , Kumar Vipan
Published: January 2015

The present review article is focused on the medicinal potential and total synthesis of prodigiosins witnessed in the last decade. The aim will be to provide an inspiration to the marvels and pit falls of constructing the polypyrrole heterocycles with in the complex systems.
An improved method for the measurement of lifetimes of long-lived coherences in NMR
Authors: Singh Maninder , Kurur Narayanan D.
Published: January 2015

A faster, more reliable method for measurement of lifetime of long-lived coherences in NMR.
Development of a highly efficient single-mode microwave applicator with a resonant cavity and its application to continuous flow syntheses
Authors: Yokozawa Saori , Ohneda Noriyuki , Muramatsu Ken , Okamoto Tadashi , Odajima Hiromichi , Ikawa Takashi , Sugiyama Jun-ichi , Fujita Masashi , Sawairi Taira , Egami Hiromichi , Hamashima Yoshitaka , Egi Masahiro , Akai Shuji
Published: January 2015

A new microwave applicator specifically designed for continuous flow synthesis has been developed and tested in the Fischer indole synthesis and in the Diels–Alder reaction to afford the reaction products at a scale of 100 g h−1.
Investigating the nano-tribological properties of chemical vapor deposition-grown single layer graphene on SiO2substrates annealed in ambient air
Authors: Wang Quan , Bai Bing , Li Yun , Jiang Yan , Ma Laipeng , Ren Naifei
Published: January 2015

Nano-tribological properties of graphene have attracted a lot of research interest in the last few years.
Relationship between screw structure and properties of recycled glass fiber reinforced flame retardant nylon 46
Authors: Zhang Shuidong , Wang Peng , Tan Lingcao , Huang Hanxiong , Jiang Guo
Published: January 2015

An optimal extruder to recycle glass fiber reinforced flame retardant nylon 46 with minimum decrement in the mechanical and thermal properties.
Nitrogen-doped graphene as a cathode material for dye-sensitized solar cells: effects of hydrothermal reaction and annealing on electrocatalytic performance
Authors: Zhang Yake , Sun Zhe , Wang Hui , Wang Yudan , Liang Mao , Xue Song
Published: January 2015

Nitrogen doped graphene prepared via an inhomogeneous hydrothermal reaction was applied to DSCs as a cathode material, yielding a cell efficiency of 8.2%.
Single H5N1 influenza A neuraminidase mutation develops resistance to oseltamivir due to distorted conformational and drug binding landscape: multiple molecular dynamics analyses
Authors: Mhlongo Ndumiso N. , Soliman Mahmoud E. S.
Published: January 2015

Clinical studies showed that a single mutation, I117V, develops severe resistance to oseltamivir, the first orally active influenza A neuraminidase inhibitor, in highly pathogenic H5N1 influenza A viruses.
Screening of β-hairpin peptide-engrafted 1,2,3-triazoles to identify APEH enzyme inhibitors
Authors: Sandomenico A. , Celentano V. , D'Andrea L. D. , Palmieri G. , Ruvo M.
Published: January 2015

Peptide-engrafted triazoles, obtained via click chemistry, drive the inhibition activity toward Acyl Peptide Hydrolase (APEH), a modulator of the proteasome activity.
Surface-active drug loaded lipopolymeric nanohybrid aerosol therapy: potential non-invasive way to mitigate lipopolysaccharide mediated inflammation in murine lungs
Authors: Shah Apurva R. , Hagawane Tejashree , Kshirsagar Nilima , Banerjee Rinti
Published: January 2015

Non-invasive aerosol therapy of surface-active lipopolymeric nanohybrids co-delivers two drugs in inflamed lungs and also replenishes the depleted lung surfactant pool in inflamed alveoli following cellular uptake by the cells.
Light-promoted N,N-dimethylation of amine and nitro compound with methanol catalyzed by Pd/TiO2 at room temperature
Authors: Zhang Lina , Zhang Yan , Deng Youquan , Shi Feng
Published: January 2015

The N,N-dimethylation of different amines and nitro compounds with methanol were realized under UV irradiation at room temperature catalyzed by Pd/TiO2.
Influence of various chloride ion concentrations on silver nanoparticle transformations and effectiveness in surface enhanced Raman scattering for different excitation wavelengths
Authors: Fargašová Ariana , Prucek Robert , Ranc Václav , Panáček Aleš , Kvítek Libor , Zbořil Radek
Published: January 2015

This study reports the effect of six various concentrations of chlorides on the surface enhanced Raman scattering activity of silver nanoparticles.
Facile synthesis of monodisperse poly(MAA/EGDMA)/Fe3O4 hydrogel microspheres with hollow structures for drug delivery systems: the hollow structure formation mechanism and effects of various metal ions on structural changes
Authors: Park Seong-Jin , Lim Hyung-Seok , Lee Young Moo , Suh Kyung-Do
Published: January 2015

This study presents a facile fabrication method for monodisperse poly(methacrylic acid/ethylene glycol dimethacrylate)/Fe3O4 composite microcapsules with magnetic properties and hollow structures for use as a targeted drug delivery system.
Direct synthesis of CdS nanodots embedded in bovine serum albumin without external sulfur source for cell imaging
Authors: Cui Yanyan , Zhang Chunfang , Sun Limei , Hu Zhongbo , Liu Xiangfeng
Published: January 2015

CdS nanodots with good water solubility and low cell cytotoxicity were synthesized using BSA as template without external sulfur.
Mild fabrication of silica-silver nanocomposites as active platforms for environmental remediation
Authors: Mignani A. , Fazzini S. , Ballarin B. , Boanini E. , Cassani M. C. , Maccato C. , Barreca D. , Nanni D.
Published: January 2015

A new, simple and convenient approach to prepare silver nanoparticles supported on SiO2–PEI composites for the decoloration of organic dyes.
Hydrocarbon degradation and separation of bilge water via a novel TiO2-HNTs/PVDF-based photocatalytic membrane reactor (PMR)
Authors: Moslehyani A. , Ismail A. F. , Othman M. H. D. , Matsuura T.
Published: January 2015

This paper focuses on the potential of a novel flat sheet nanocomposite titanium dioxide (TiO2)-halloysite nanotubes (HNTs)/polyvinylidene fluoride (PVDF) membrane as a photocatalytic separator in the photocatalytic membrane reactor (PMR).
Controlled synthesis of monodisperse silver nanoparticles supported layered double hydroxide catalyst
Authors: Islam D. A. , Borah D. , Acharya H.
Published: January 2015

Monodisperse silver nanoparticles supported layered double hydroxides (Ag NPs–LDH) were preferentially deposited on the outer surfaces of pillared LDH offered a high catalytic activity on alcohol oxidation.
A ligand-free strategy for the copper-catalysed direct alkynylation of trifluoromethyl ketones
Authors: Wang Lei , Liu Ning , Dai Bin , Ma Xiaowei , Shi Lei
Published: January 2015

A superbase-induced copper-catalyzed direct alkynylation method for trifluoromethyl ketones was developed without any additional ligand under mild conditions.
Multi-functional mesoporous β-Ga2O3: Cr3+ nanorod with long lasting near infrared luminescence for in vivo imaging and drug delivery
Authors: Wang Xin-Shi , Li Wei-Shuo , Situ Jun-Qing , Ying Xiao-Ying , Chen Hui , Jin Yi , Du Yong-Zhong
Published: January 2015

β-Ga2O3: Cr3+ nanorod can maintain its near infrared signal after the removal of the exciting UV, and this afterglow can be acquired by a CCD camera without an external light source.
Pt atoms stabilized on hexagonal boron nitride as efficient single-atom catalysts for CO oxidation: a first-principles investigation
Authors: Liu Xin , Duan Ting , Meng Changgong , Han Yu
Published: January 2015

Taking CO oxidation as a probe, we investigated the electronic structure and reactivity of Pt atoms stabilized by vacancy defects on hexagonal boron nitride (h-BN) by first-principles-based calculations.
Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal–organic and supramolecular Ni, Co, and Cd networks
Authors: Cui Yan-Hui , Wu Jiang , Kirillov Alexander M. , Gu Jin-Zhong , Dou Wei
Published: January 2015

Five new coordination compounds driven by 5-fluoronicotinic acid were self-assembled and structurally characterized, revealing metal–organic or H-bonded networks with distinct topologies, including rare or unreported examples.
Coupled effects of hydrophobic layer and vibration on thermal efficiency of two-phase closed thermosyphons
Authors: Tong Wei Li , Tan Ming K. , Chin Jit Kai , Ong K. S. , Hung Yew Mun
Published: January 2015

Observation of elongated liquid jets and entrained droplets from the liquid–vapor interface induced by high-acceleration vibration provides valuable insights into the physical process of liquid–vapor interaction phenomena in a thermosyphon (TPCT).
Effect of alumina hydroxylation on glycerol hydrogenolysis to 1,2-propanediol over Cu/Al2O3: combined experiment and DFT investigation
Authors: Hirunsit Pussana , Luadthong Chuleeporn , Faungnawakij Kajornsak
Published: January 2015

Experimental and theoretical studies were performed to investigate the glycerol hydrogenolysis to 1,2-propanediol (1,2 PD) over Cu/Al2O3 and the alumina hydration effect on catalytic activity.
Organocatalytic enantioselective synthesis of 1-vinyl tetrahydroisoquinolines through allenamide activation with chiral Brønsted acids
Authors: Manoni E. , Gualandi A. , Mengozzi L. , Bandini M. , Cozzi P. G.
Published: January 2015

In this paper we present a new approach for the realization of tetrahydroisoquinoline scaffolds via stereoselective proto-activation of suitable allenamide precursors.
Dehydrogenative cyclization of N-acyl dipeptide esters for the synthesis of imidazolidin-4-ones
Authors: Yu Hui , Shen Jie
Published: January 2015

Dehydrogenative cyclization ofN-acyl dipeptide esters was developed and imidazolidin-4-ones were obtained in moderate to good yields by using TBHP as oxidant and KI as catalyst under mild conditions.
Enhancement of resistance to chlorine poisoning of Sn-modified MnCeLa catalysts for chlorobenzene oxidation at low temperature
Authors: Mao Dou , He Fei , Zhao Pei , Liu Shantang
Published: January 2015

The Sn-modified MnCeLa catalysts show significantly higher resistance to chlorine poisoning than MnCeLa catalysts at different temperatures.
Microwave-promoted solventless Mizoroki–Heck reactions catalysed by Pd nanoparticles supported on laponite clay
Authors: Martínez Alejandro V. , Invernizzi Fabio , Leal-Duaso Alejandro , Mayoral José A. , García José I.
Published: January 2015

Palladium nanoparticles supported on laponite efficiently catalyse solventless Mizoroki–Heck reactions activated by microwaves. High yields are obtained in a few minutes and the catalyst can be efficiently recovered and reused up to thirteen times.
Fumed silica-based organogels and ‘aqueous-organic’ bigels
Authors: Patel A. R. , Mankoč B. , Bin Sintang M. D. , Lesaffer A. , Dewettinck K.
Published: January 2015

We report the use of fumed silica as a structurant for creating an organogel with a triglyceride solvent (vegetable oil) as the continuous phase. The organogel was further used to prepare aqueous-organic bigels.
Squashed {Fe2IIIM4III} octahedra (M = Y, Gd, Dy) from the first use of the cyanoacetate ligand in 3d/4f coordination chemistry
Authors: Polyzou Christina D. , Baniodeh Amer , Magnani Nicola , Mereacre Valeriu , Zill Nicolas , Anson Christopher E. , Perlepes Spyros P. , Powell Annie K.
Published: January 2015

The first use of the cyanoacetate ligand in 3d/4f-metal chemistry leads to {Fe2IIIM4III} (M = Dy, Gd, Y) coordination clusters with a squashed octahedral core structure; the DyIII compound exhibits slow relaxation of the magnetisation.
Metal–organic framework-derived nickel phosphides as efficient electrocatalysts toward sustainable hydrogen generation from water splitting
Authors: Tian Tian , Ai Lunhong , Jiang Jing
Published: January 2015

Ni-based metal–organic framework (MOF)-derived Ni2P nanoparticles exhibited high-performance for electrochemical HER, as manifested by a low overpotential and a large cathodic current density.
Diversified facile synthesis of benzimidazoles, quinazolin-4(3H)-ones and 1,4-benzodiazepine-2,5-diones via palladium-catalyzed transfer hydrogenation/condensation cascade of nitro arenes under microwave irradiation
Authors: Zhu Kaicheng , Hao Jian-Hong , Zhang Cheng-Pan , Zhang Jiajun , Feng Yiqing , Qin Hua-Li
Published: January 2015

An efficient methodology for diversified preparation of benzimidazole, quinazolin-4(3H)-ones and 1,4-benzodiazepine-2,5-diones is established using a Pd-CTH/condensation cascade of nitro arenes in a TEA–formic acid mixture under microwave irradiation.
Prediction of quantum anomalous Hall effect on graphene nanomesh
Authors: Zhang Xiaoming , Zhao Mingwen
Published: January 2015

Stable FM coupling gives rise to a quantum anomalous Hall state at Dirac points in nitrogen-doped graphene kagome nanomesh.
Effect of growing graphene flakes on branched carbon nanofibers based on carbon fiber on mechanical and thermal properties of polypropylene
Authors: Ghaemi Ferial , Ahmadian Ali , Yunus Robiah , Mohd Salleh Mohamad Amran , Senu Norazak
Published: January 2015

A one-step process, the chemical vapor deposition method, has been used to fabricate graphene flakes (G) on branched carbon nanofibers (CNF) grown on carbon fibers (CF).
Integration of an anti-tumor drug into nanocrystalline assemblies for sustained drug release
Authors: Yang Xiangrui , Wu Shichao , Li Yang , Huang Yu , Lin Jinyan , Chang Di , Ye Shefang , Xie Liya , Jiang Yuan , Hou Zhenqing
Published: January 2015

A bio-inspired approach was used to integrate an anti-tumor drug into nanocrystalline assemblies for sustained drug release.
Semi-crystalline polymethylene-b-poly(acrylic acid) diblock copolymers: aggregation behavior, confined crystallization and controlled growth of semicrystalline micelles from dilute DMF solution
Authors: Wang Hongfang , Wu Cong , Xia Guangmei , Ma Zhi , Mo Guang , Song Rui
Published: January 2015

Systematic investigation into the aggregation behavior and controlled growth of semi-crystalline polymethylene-b-poly(acrylic acid), which can aggregate into disk-like micelles and develop into single crystals with the confined core.
Facile fabrication of porous Cr-doped SrTiO3 nanotubes by electrospinning and their enhanced visible-light-driven photocatalytic properties
Authors: Hou Dongfang , Hu Xianluo , Ho Wingkei , Hu Pei , Huang Yunhui
Published: January 2015

Porous Cr-doped SrTiO3 nanotubes by electrospinning exhibit enhanced photocatalytic activity for removal of azo dye and NO under visible-light irradiation.
Fe@C core–shell and Fe@C yolk–shell particles for effective removal of 4-chlorophenol
Authors: Li Xiang , Gai Fangyuan , Guan Buyuan , Zhang Ye , Liu Yunling , Huo Qisheng
Published: January 2015

Fe@C yolk–shell particles were synthesized by reducing the core with its own carbon shell to achieve the effective removal of 4-chlorophenol from water.
Synthesis and properties of push–pull porphyrins as sensitizers for NiO based dye-sensitized solar cells
Authors: Maufroy Antoine , Favereau Ludovic , Anne Frédéric B. , Pellegrin Yann , Blart Errol , Hissler Muriel , Jacquemin Denis , Odobel Fabrice
Published: January 2015

Push–pull zinc porphyrins can be suitable sensitizers for NiO-based p-DSSCs provided the geminate charge recombination is minimized.
Development of a nanoporous adsorbent for the removal of health-hazardous fluoride ions from aqueous systems
Authors: Dhillon Ankita , Kumar Dinesh
Published: January 2015

Development of a re-usable, cost-effective and sustainable nanoporous adsorbent for the efficient removal of toxic fluoride ions from aqueous systems.
Pt2SnCu nanoalloy with surface enrichment of Pt defects and SnO2 for highly efficient electrooxidation of ethanol
Authors: Huang Meihua , Wu Wangliang , Wu Chuxin , Guan Lunhui
Published: January 2015

The Pt2SnCu–O-A/C with surface Pt defects and SnO2 exhibits excellent electrocatalytic activities for ethanol oxidation in comparison to commercial catalysts. The synthesis method may provide new opportunities to fabricate hybrid nanostructures with interesting physicochemical properties.
Underwater Wenzel and Cassie oleophobic behaviour
Authors: Palamà I. E. , D'Amone S. , Arcadio V. , Caschera D. , Toro R. G. , Gigli G. , Cortese B.
Published: January 2015

A hydrophobic/oleophilic surface when immersed in water can result in an oleophilic or “Cassie” state of oil-wetting.
Magnetic yolk–shell mesoporous silica microspheres with supported Au nanoparticles as recyclable high-performance nanocatalysts
Authors: Yue Qin , Zhang Yu , Wang Chun , Wang Xiqing , Sun Zhenkun , Hou Xiu-Feng , Zhao Dongyuan , Deng Yonghui
Published: January 2015

Multifunctional yolk–shell microspheres are synthesized through a combined interfacial sol–gel coating and surfactant-templating co-assembly method and are demonstrated as efficient and easily recyclable nanocatalysts for catalytic epoxidation of styrene.
Interfacial electron transfer in photoanodes based on phosphorus(v) porphyrin sensitizers co-deposited on SnO2 with the Ir(III)Cp* water oxidation precatalyst
Authors: Poddutoori Prashanth K. , Thomsen Julianne M. , Milot Rebecca L. , Sheehan Stafford W. , Negre Christian F. A. , Garapati Venkata K. R. , Schmuttenmaer Charles A. , Batista Victor S. , Brudvig Gary W. , van der Est Art
Published: January 2015

The ability of PPors to photo-oxidize Ir(III)Cp* to Ir(IV)Cp* indicates that they are promising photoanode components.
Bioreducible dextran–polyethylenimine conjugates regulate transgene expression distribution in vivo
Authors: Zhao Jian , Wang Chunxiao , Zhao Peng , Wen Xuejun , Lin Chao
Published: January 2015

Bioreducible dextran–polyethyleneimine conjugates induce high transgene expression largely in the tumor by adjusting the molecular weight of dextran.
Microfibrous borate bioactive glass dressing sequesters bone-bound bisphosphonate in the presence of simulated body fluid
Authors: Pramanik Chandrani , Wang Tianda , Ghoshal Sushanta , Niu Lina , Newcomb Bradley A. , Liu Yaodong , Primus Carolyn M. , Feng Hailan , Pashley David H. , Kumar Satish , Tay Franklin R.
Published: January 2015

Release of bone-bound bisphosphonates by borate bioactive glass dressings may be useful for managing bisphosphonate-related osteonecrosis of the jaw (BRONJ).
Striking sensing improvement of n-type oxide nanowires by electronic sensitization based on work function difference
Authors: Choi Sun-Woo , Katoch Akash , Kim Jae-Hun , Kim Sang Sub
Published: January 2015

An approach for improving the oxidizing or reducing gas-sensing abilities of n-type oxide nanowires by modifying the electron-depletion layer based on electron flow.
Regulation of bacterial lipopolysaccharide in liver toxicity caused by chlorpromazine and Z24 in Sprague-Dawley rats
Authors: Chun-qi Wu , Yu-feng Li , Zhi-bing Zheng , Yan-sheng Dong , Ben-li Yuan , Song Li , Ming-yang Liao , Quan-jun Wang
Published: January 2015

LPS-induced inflammatory response could be used to establish screening models for ILT and provides a new way to reduce liver toxicity of Z24.
In silico prediction of chemical aquatic toxicity with chemical category approaches and substructural alerts
Authors: Sun Lu , Zhang Chen , Chen Yingjie , Li Xiao , Zhuang Shulin , Li Weihua , Liu Guixia , Lee Philip W. , Tang Yun
Published: January 2015

Aquatic toxicity is an important endpoint in the evaluation of chemically adverse effects on ecosystems.
Acoustic micro‐Doppler signal processing with foveated electronic cochlea
Authors: Figliolia T. , Murray T.S. , Andreou A.G.
Published: January 2015

An architecture and its digital implementation using field programmable gate arrays of an electronic cochlea with an acoustic fovea and address event representation output are presented. The system is experimentally characterised with simple harmonic signals and employed to process signals from a micro‐Doppler sonar.
Adaptive fuzzy multi‐surface sliding control of multiple‐input and multiple‐output autonomous flight systems
Authors: Norton Michael , Khoo Suiyang , Kouzani Abbas , Stojcevski Alex
Published: January 2015

In this study, we proposed an adaptive fuzzy multi‐surface sliding control (AFMSSC) for trajectory tracking of 6 degrees of freedom inertia coupled aerial vehicles with multiple inputs and multiple outputs (MIMO). It is shown that an adaptive fuzzy logic‐based function approximator can be used to estimate the system uncertainties and an iterative multi‐surface sliding control design can be carried out to control flight. Using AFMSSC on MIMO autonomous flight systems creates confluent control that can account for both matched and mismatched uncertainties, system disturbances and excitation in internal dynamics. It is proved that the AFMSSC system guarantees asymptotic output tracking and ultimate uniform boundedness of the tracking error. Simulation results are presented to validate the analysis.
Sensor fault diagnosis using a non‐homogeneous high‐order sliding mode observer with application to a transport aircraft
Authors: de Loza Alejandra Ferreira , Cieslak Jérôme , Henry David , Dávila Jorge , Zolghadri Ali
Published: January 2015

In avionics and aerospace multisensor systems, reliable and early detection of individual sensor faults present substantial challenges to health monitoring designers of such systems. This study addresses the problem of sensor fault diagnosis. The proposed solution is based on a non‐homogeneous high‐order sliding mode observer used to estimate the faults, theoretically in finite time and in the presence of bounded disturbances. The sensor faults are estimated for the class of systems satisfying the structural property of strong observability. A key feature of the proposed solution is concerned by the effect that measurement noise could have on fault reconstruction. It is shown that the fault estimation error is bounded in the L∞ ‐norm sense, and an upper bound is theoretically derived. The method is applied to the problem of sensor fault estimation of a large transport aircraft. Simulation results as well as a pilot experiment are presented to demonstrate the potential of the proposed method.
Multi‐agent containment control with input saturation on switching topologies
Authors: Su Housheng , Chen Michael Z. Q.
Published: January 2015

This study aims to investigate containment control of linear multi‐agent systems with input saturation on switching topologies. For such a multi‐agent system, both state feedback and output feedback containment control protocols are proposed via a novel low‐gain feedback approach. Consequently, the authors show that, under the assumption that the switching networks are jointly connected, semi‐global state feedback and output feedback containment control of the multi‐agent system can be attained. The effectiveness of the proposed algorithms is illustrated via numerical examples.
Electronic and structural properties at the interface between CuPc and graphene
Authors: Tao Yongsheng , Mao Hongying , He Pimo
Published: January 2015

The electronic and structural properties at Copper phthalocyanine (CuPc)/graphene have been studied using ultraviolet photoemission spectroscopy and first-principles density function theory calculation. The five emission features α, β, γ, δ, and ε originating from the CuPc molecules locate at 1.48, 3.66, 4.98, 6.90, and 9.04 eV, respectively. These features shift in binding energy with the increasing CuPc coverage. The feature α is mostly deriving from Cu 3d orbital with some contributions from C 2p orbital. Further theoretical calculation indicates that the adsorption of CuPc on a top site is the most favorable configuration, and the separation between the adsorbate and graphene is about 3.47 Å. According to the density of states before and after CuPc adsorption, the LUMO of CuPc is slightly occupied, while the Dirac point of graphene slightly shift towards higher energy, suggesting that a small amount of electron transfer from graphene to CuPc upon contact.
A note on mixed matrix moments for the complex Ginibre ensemble
Authors: Walters Meg , Starr Shannon
Published: January 2015

We consider the mixed matrix moments for the complex Ginibre ensemble. These are well-known. We consider the relation to the expected overlap functions of Chalker and Mehlig. This leads to new asymptotic problems for the overlap. We obtain some results, but we also state some remaining open problems.
Droplets in an axisymmetric microtube: Effects of aspect ratio and fluid interfaces
Authors: DeVoria A. C. , Mohseni K.
Published: January 2015

The flow within a liquid droplet steadily translating along an axisymmetric microtube is investigated experimentally and compared with a model to predict the invariants of the flow, that is circulation, hydrodynamic impulse, and kinetic energy. The model is based on pipe Poiseuille flow and allows for variable aspect ratio, AR. The invariants are computed from the velocity fields, which are measured with micro digital particle image velocimetry. The non-dimensionalized experimental invariants show negligible dependence on the Reynolds number, within the small range investigated (∼1.5-13), which also agrees with the model. The effect of introducing a fluid interface is found to increase the observed magnitude of invariants in low-AR droplets above those in continuous flow. Also increased are the average rates at which invariants are advected across a hypothetical flux plane within the tube. The increase in these rates above continuous flow goes as AR−1. The momentum flux is similarly increased for low-AR and is mainly attributed to the converging/diverging radial velocities near the trailing/leading interfaces. The momentum flux is also compared with available synthetic jet data.
On the convergence of perturbative coupled cluster triples expansions: Error cancellations in the CCSD(T) model and the importance of amplitude relaxation
Authors: Eriksen Janus J. , Jørgensen Poul , Gauss Jürgen
Published: January 2015

Recently, we proposed a novel Lagrangian–based perturbation series—the CCSD(T–n) series—which systematically corrects the coupled cluster singles and doubles (CCSD) energy in orders of the Møller-Plesset fluctuation potential for effects due to triple excitations. In the present study, we report numerical results for the CCSD(T–n) series up through fourth order which show the predicted convergence trend throughout the series towards the energy of its target, the coupled cluster singles, doubles, and triples (CCSDT) model. Since effects due to the relaxation of the CCSD singles and doubles amplitudes enter the CCSD(T–n) series at fourth order (the CCSD(T–4) model), we are able to separate these effects from the total energy correction and thereby emphasize their crucial importance. Furthermore, we illustrate how the ΛCCSD[T]/(T) and CCSD[T]/(T) models, which in slightly different manners augment the CCSD energy by the [T] and (T) corrections rationalized from many-body perturbation theory, may be viewed as approximations to the second-order CCSD(T–2) model. From numerical comparisons with the CCSD(T–n) models, we show that the extraordinary performance of the ΛCCSD[T]/(T) and CCSD[T]/(T) models relies on fortuitous, yet rather consistent, cancellations of errors. As a side product of our investigations, we are led to reconsider the asymmetric ΛCCSD[T] model due to both its rigorous theoretical foundation and its performance, which is shown to be similar to that of the CCSD(T) model for systems at equilibrium geometry and superior to it for distorted systems. In both the calculations at equilibrium and distorted geometries, however, the ΛCCSD[T] and CCSD(T) models are shown to be outperformed by the fourth-order CCSD(T–4) model.
Thermodynamics of a lattice gas with linear attractive potential
Authors: Pirjol Dan , Schat Carlos
Published: January 2015

We study the equilibrium thermodynamics of a one-dimensional lattice gas with interaction V(i−j)=−1μn{ξ−1ni−j} given by the superposition of a universal attractive interaction with strength −1μnξ<0, and a linear attractive potential 1μn2i−j. The interaction is rescaled with the lattice size n, such that the thermodynamical limit n → ∞ is well-behaved. The thermodynamical properties of the system can be found exactly, both for a finite size lattice and in the thermodynamical limit n → ∞. The lattice gas can be mapped to a system of non-interacting bosons which are placed on known energy levels. The exact solution shows that the system has a liquid-gas phase transition for ξ > 0. In the large temperature limit T ≫ T0(ρ) = ρ2/(4μ) with ρ the density, the system becomes spatially homogeneous, and the equation of state is given to a good approximation by a lattice version of the van der Waals equation, with critical temperature Tc(vdW)=112μ(3ξ−1).