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Atom mapping with constraint programming

Martin Mann、Feras Nahar、Norah Schnorr 等 6 位作者2014-11-28Algorithms for Molecular Biology

Chemical reactions are rearrangements of chemical bonds. Each atom in an educt molecule thus appears again in a specific position of one of the reaction products. This bijection between educt and product atoms is not reported by chemical reaction databases, however, so that the "Atom Mapping Problem" of finding this b…

Computational Drug Discovery MethodsMicrobial Metabolic Engineering and BioproductionMachine Learning in Materials Science

Symbolic regression via genetic programming for data driven derivation of confinement scaling laws without any assumption on their mathematical form

A. Murari、E. Peluso、M. Gelfusa 等 6 位作者2014-11-28Plasma Physics and Controlled Fusion

Many measurements are required to control thermonuclear plasmas and to fully exploit them scientifically. In the last years JET has shown the potential to generate about 50 GB of data per shot. These amounts of data require more sophisticated data analysis methodologies to perform correct inference and various techniq…

Topic ModelingMagnetic confinement fusion researchFusion materials and technologies

Tris‐Heteroleptic Ruthenium–Dipyrrinate Chromophores in a Dye‐Sensitized Solar Cell

Guocan Li、Ke Hu、Kiyoshi C. D. Robson 等 7 位作者2014-11-28Chemistry - A European Journal

Two novel tris-heteroleptic Ru-dipyrrinates were prepared and tested as sensitizers in the dye-sensitized solar cell (DSSC). Under AM 1.5 sunlight, DSSCs employing these dyes achieved power conversion efficiencies (PCEs) of 3.4 and 2.2 %, substantially exceeding the value achieved previously with a bis-heteroleptic dy…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesAdvanced Nanomaterials in Catalysis

High response and selectivity of a Cu–ZnO nanowire nanogenerator as a self-powered/active H 2 S sensor

Yongming Fu、Yayu Zhao、Penglei Wang 等 5 位作者2014-11-28Physical Chemistry Chemical Physics

Room-temperature self-powered H2S sensing with high response and selectivity has been realized from a Cu-ZnO nanowire nanogenerator. Upon exposure to 1000 ppm H2S at room temperature, the piezoelectric output voltage of the device (5 at% Cu-ZnO) under compressive force decreases from 0.552 (in dry air) to 0.049 V, and…

ZnO doping and propertiesPerovskite Materials and ApplicationsGas Sensing Nanomaterials and Sensors

Electron Transfer Reaction of Ion Pairs: 1. Surfactant Cobalt(III) Complexes by Fe(CN)6 4− in Microheterogeneous Media

Karuppiah Nagaraj、Krishnan Senthil Murugan、Pilavadi Thangamuniyandi2014-11-28Zeitschrift für Physikalische Chemie

Abstract The kinetic study of reduction of single chain surfactant octahedral cobalt(III) complexes, cis-[Co(en)2(4AMP)(DA)](ClO4)3 and cis-[Co(trien)(4CNP)(DA)](ClO4)3 (where en = ethylenediamine; trien = triethylenetetramine; 4AMP = 4-aminopyridine; 4CNP = 4-cyanopyridine; DA = dodecylamine) with [Fe(CN)6]4– has bee…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesElectrochemical Analysis and Applications

Molecular modelling studies of sirtuin 2 inhibitors using three-dimensional structure–activity relationship analysis and molecular dynamics simulations

Yu‐Chung Chuang、Ching-Hsun Chang、Jen‐Tai Lin 等 4 位作者2014-11-28Molecular BioSystems

Sirtuin 2 (SIRT2) is a nicotinamide-adenine-dinucleotide-dependent histone deacetylase that plays a vital role in various biological processes related to DNA regulation, metabolism, and longevity. Recent studies on SIRT2 have indicated its therapeutic potential for neurodegenerative diseases such as Parkinson's diseas…

Carbon Nanotubes in CompositesSirtuins and Resveratrol in MedicinePARP inhibition in cancer therapy

A method of tuning viscoelastic creep in charge-controlled dielectric elastomer actuation

Junshi Zhang、Hualing Chen、Bo Li2014-11-28Europhysics Letters (EPL)

Deformation in charge-controlled dielectric elastomer actuation eliminates pull-in instability, but the performance is affected by dissipative characteristics, such as viscoelasticity and leakage current. This letter focuses on the modeling of the dissipative performance in charge-controlled dielectric elastomer actua…

Ferroelectric and Piezoelectric MaterialsAdvanced Sensor and Energy Harvesting MaterialsDielectric materials and actuators

Enhanced Oxidative Desulfurization of Dibenzothiophene by Functional Mo‐Containing Mesoporous Silica

Ming Zhang、Wenshuai Zhu、Suhang Xun 等 8 位作者2014-11-28Chemical Engineering & Technology

Abstract Functional mesoporous Mo–SiO2 materials were synthesized by a one‐pot and facile room‐temperature procedure, and characterized by X‐ray diffraction, TEM, Raman spectroscopy, FT‐IR, diffuse reflectance spectra, and BET analysis. The experimental results demonstrated that the mesoporous materials presented a hi…

Catalytic Processes in Materials SciencePolyoxometalates: Synthesis and ApplicationsCatalysis and Hydrodesulfurization Studies

Synthesis of an organic-soluble π-conjugated [3]rotaxane via rotation of glucopyranose units in permethylated β-cyclodextrin

Jun Terao、Yohei Konoshima、Akitoshi Matono 等 6 位作者2014-11-28Beilstein Journal of Organic Chemistry

We synthesized symmetrically insulated oligo(para-phenylene) and oligothiophene with a pseudo-linked [3]rotaxane structure by full rotation of glucopyranose units via a flipping (tumbling) mechanism in the π-conjugated guest having two permethylated β-cyclodextrin units at both ends. We also succeeded in the synthesis…

Molecular Sensors and Ion DetectionSupramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine Chemistry

Crystal lattice determination of ZnSe nanowires with polarization-dependent second harmonic generation microscopy

Richard Cisek、Danielle Tokarz、Nehad Hirmiz 等 7 位作者2014-11-28Nanotechnology

We demonstrate a noninvasive optical microscopy technique based on polarization-dependent second harmonic generation for determining the crystal lattice structure and microscopic heterogeneities within individual nanostructures. Differentiation between periodically twinned and wurtzite ZnSe nanowires (NWs) was demonst…

Quantum Dots Synthesis And PropertiesSpectroscopy and Quantum Chemical StudiesNanowire Synthesis and Applications

CMK3/graphene-N-Co – a low-cost and high-performance catalytic system

Xiang-Jun Huang、Yi-Guo Tang、Longfei Yang 等 6 位作者2014-11-28Journal of Materials Chemistry A

The CMK3/G-N-Co catalytic system shows excellent catalytic ability in alkaline media for the oxygen reduction reaction and superior stability and tolerance to methanol poisoning effects compared to the Pt/C.

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization Studies

Enzymatic Transformation of Phosphate Decorated Magnetic Nanoparticles for Selectively Sorting and Inhibiting Cancer Cells

Xuewen Du、Jie Zhou、Liheng Wu 等 5 位作者2014-11-28Bioconjugate Chemistry

As an important and necessary step of sampling biological specimens, the separation of malignant cells from a mixed population of cells usually requires sophisticated instruments and/or expensive reagents. For health care in the developing regions, there is a need for an inexpensive sampling method to capture tumor ce…

Nanoparticle-Based Drug DeliveryAdvanced biosensing and bioanalysis techniquesNanoplatforms for cancer theranostics

Cell-specific aptamers and their conjugation with nanomaterials for targeted drug delivery

Jie Liao、Bo Liu、Jun Liu 等 6 位作者2014-11-28Expert Opinion on Drug Delivery

INTRODUCTION: Aptamers are short, single-stranded DNA or RNA sequences that can fold into complex secondary and tertiary structures and bind to various target molecules with high affinity and specificity. These properties, as well as rapid tissue penetration and ease of chemical modification, make aptamers ideal recog…

Nanoparticle-Based Drug DeliveryAdvanced biosensing and bioanalysis techniquesRNA Interference and Gene Delivery

Influence of reaction conditions on the properties of solution-processed Cu2ZnSnS4 nanocrystals

Yongtao Qu、Guillaume Zoppi、R.W. Miles 等 4 位作者2014-11-28Materials Research Express

Cu 2 ZnSnS 4 nanocrystals were fabricated by hot injection of sulphur into a solution of metallic precursors. By careful control of the reaction conditions it was possible to control the elemental composition of the nanocrystals such that they are suitable for earth abundant photovoltaic absorbers. When the reaction t…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

Air plasma sprayed coatings of self-fluxing powder materials

Elena Kornienko、Elizaveta Lapushkina、V. I. Kuzmin 等 10 位作者2014-11-28Journal of Physics Conference Series

The article discusses the structural features of self-fluxing coatings obtained by plasma spraying air from entering the hub ring and the gas-dynamic focusing powder. It was shown that, unlike the unilateral spot powder inlet into the plasma jet, the use of the annular input node allows to increase heating efficiency…

Advanced ceramic materials synthesisHigh-Temperature Coating BehaviorsAdvanced materials and composites

Modifying the carbon fiber–epoxy matrix interphase with graphite nanoplatelets

Wenzhen Qin、Frédéric Vautard、Lawrence T. Drzal 等 4 位作者2014-11-28Polymer Composites

In this study, a novel method consisting of coating carbon fibers (CF) with graphite nanoplatelets (GnP) is investigated for its ability to modify the mechanical properties in the interphase region. Coating the CF was achieved by immersing CF in a solution of GnP dispersed in an epoxy‐based solution for a few seconds.…

Graphene research and applicationsFiber-reinforced polymer compositesTribology and Wear Analysis

Synthesis of arsenic-rich As n ligand complexes from yellow arsenic

Christian Graßl、Michael Bodensteiner、M. Zabel 等 4 位作者2014-11-28Chemical Science

A triple decker complex of cobalt is able to consume As 4 moieties of yellow arsenic to built-up the to-date largest known As n ligands.

Synthesis and characterization of novel inorganic/organometallic compoundsLanthanide and Transition Metal ComplexesInorganic Chemistry and Materials

Probing enzyme-nanoparticle interactions using combinatorial gold nanoparticle libraries

Yanyan Liu、David A. Winkler、V. Chandana Epa 等 5 位作者2014-11-28Nano Research

The interaction of nanoparticles with proteins is extremely complex, important for understanding the biological properties of nanomaterials, but is very poorly understood. We have employed a combinatorial library of surface modified gold nanoparticles to interrogate the relationships between the nanoparticle surface c…

Nanoparticles: synthesis and applicationsComputational Drug Discovery MethodsCholinesterase and Neurodegenerative Diseases

Presence of phthalate derivatives in the essential oils of a medicinal plant Achillea tenuifolia

Azadeh Manayi、Mahdieh Kurepaz-Mahmoodabadi、Ahmad Reza Gohari 等 5 位作者2014-11-28DARU Journal of Pharmaceutical Sciences

BACKGROUND: Phthalate, esters of phthalic acid, are mainly applied as plasticizers and cause several human health and environment hazards. The essential oils of Achillea species have attracted a great concern, since several biological activities have been reported from varieties of these medicinal species. On the othe…

Effects and risks of endocrine disrupting chemicalsPolymer Science and PVCPlant-Derived Bioactive Compounds

Curcumin-loaded PLGA Nanoparticles Conjugated with Anti-P-glycoprotein Antibody to Overcome Multidrug Resistance

Wanisa Punfa、Shugo Suzuki、Pornsiri Pitchakarn 等 7 位作者2014-11-28Asian Pacific Journal of Cancer Prevention

BACKGROUND: The encapsulation of curcumin (Cur) in polylactic-co-glycolic acid (PLGA) nanoparticles (Cur- NPs) was designed to improve its solubility and stability. Conjugation of the Cur-NPs with anti-P-glycoprotein (P-gp) antibody (Cur-NPs-APgp) may increase their targeting to P-gp, which is highly expressed in mult…

Nanoparticle-Based Drug DeliveryDrug Transport and Resistance MechanismsCurcumin's Biomedical Applications