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Studying chemical reactivity in a virtual environment

Moritz P. Haag、Markus Reiher2014-01-01Faraday Discussions

Chemical reactivity of a set of reactants is determined by its potential (electronic) energy (hyper)surface. The high dimensionality of this surface renders it difficult to efficiently explore reactivity in a large reactive system. Exhaustive sampling techniques and search algorithms are not straightforward to employ…

Complex Network Analysis TechniquesData Visualization and AnalyticsMachine Learning in Materials Science

Superior Cycling Performance of SiOx/C Composite with Arrayed Mesoporous Architecture as Anode Material for Lithium-Ion Batteries

Chunhui Gao、Hailei Zhao、Pengpeng Lv 等 7 位作者2014-01-01Journal of The Electrochemical Society

Superior Cycling Performance of SiOx/C Composite with Arrayed Mesoporous Architecture as Anode Material for Lithium-Ion Batteries, Gao, Chunhui, Zhao, Hailei, Lv, Pengpeng, Wang, Chunmei, Wang, Jie, Zhang, Tianhou, Xia, Qing

Advancements in Battery MaterialsSupercapacitor Materials and FabricationAdvanced Battery Materials and Technologies

Tailoring nanostructures in micrometer size germanium particles to improve their performance as an anode for lithium ion batteries

Fu‐Sheng Ke、Kuber Mishra、Lauryn Jamison 等 8 位作者2014-01-01Chemical Communications

A facile and scalable single-step approach is employed to synthesize a bulk germanium electrode, which consists of nanoscale Ge-grains in ∼5 μm porous powders. This three-dimensional Ge electrode exhibits superior specific capacity (∼1500 mA h g(-1)) and cyclic performance, attributed to its unique lithiation/delithia…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationAdvanced Battery Materials and Technologies

Development of biocompatible apatite nanorod-based drug-delivery system with in situ fluorescence imaging capacity

Rajendra K. Singh、Tae-Hyun Kim、Kapil D. Patel 等 5 位作者2014-01-01Journal of Materials Chemistry B

Biocompatible and multifunctional nanocarriers significantly improve the therapeutic and diagnostic efficacy of the cargo molecules. Here we report a novel biocompatible apatite nanocrystal-based delivery system with in situ imaging capacity. A nanorod (40 nm × 10 nm) produced by a citrate-involved sol–gel process exp…

Bone Tissue Engineering MaterialsNanoplatforms for cancer theranosticsNanocluster Synthesis and Applications

Convolution Properties for Certain Classes of Analytic Functions Defined by q -Derivative Operator

T. M. Seoudy、M. K. Aouf2014-01-01Abstract and Applied Analysis

We investigate convolution properties and coefficients estimates for two classes of analytic functions involving the q -derivative operator defined in the open unit disc. Some of our results improve previously known results.

Holomorphic and Operator TheoryAnalytic and geometric function theoryPolymer Synthesis and Characterization

A novel solvent-template method to manufacture nano-scale porous membranes for vanadium flow battery applications

Hongzhang Zhang、Hongzhang Zhang、Cong Ding 等 8 位作者2014-01-01Journal of Materials Chemistry A

A solvent-template method is proposed for manufacturing ion conducting membranes (ICMs) with controlled ion transport channels (in nano-scale) for vanadium flow battery (VFB) application. As a result, the ion transport properties and single cell performance of the ICMs could be easily tuned by this method. The VFB sin…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationAdvanced battery technologies research

Effect of electron spin dynamics on solid-state dynamic nuclear polarization performance

Ting Ann Siaw、Matthias Fehr、Alicia Lund 等 7 位作者2014-01-01Physical Chemistry Chemical Physics

For the broadest dissemination of solid-state dynamic nuclear polarization (ssDNP) enhanced NMR as a material characterization tool, the ability to employ generic mono-nitroxide radicals as spin probes is critical. A better understanding of the factors contributing to ssDNP efficiency is needed to rationally optimize…

Advanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallographyElectron Spin Resonance Studies

Light-triggered carbon monoxide delivery with Al-MCM-41-based nanoparticles bearing a designed manganese carbonyl complex

Margarita A. Gonzales、Howard Han、Amie J. Moyes 等 8 位作者2014-01-01Journal of Materials Chemistry B

(abbreviated as {Mn-CO}, pqa = (2-pyridylmethyl)(2-quinolylmethyl)amine) has been incorporated in the pores of 60 nm mesoporous Al-MCM-41 nanoparticles. Strong electrostatic interactions with the negatively charged walls of the aluminosilicate host entrap the cationic carbonyl complex in the resulting material {Mn-CO}…

Porphyrin and Phthalocyanine ChemistryHeme Oxygenase-1 and Carbon MonoxideHemoglobin structure and function

Synergistic antibacterial action of β-sitosterol-d-glucopyranoside isolated from Desmostachya bipinnata leaves with antibiotics against common human pathogens

Shankar Subramaniam、Manikanda Raja Keerthi Raja、Aravind Sivasubramanian2014-01-01Revista Brasileira de Farmacognosia

Desmostachya bipinnata (L.) Stapf, Poaceae, or Kusha in Sanskrit, is a sacred grass used extensively in Indian Vedic practices. It is well known for its medicinal value and is used in traditional Indian medicine to treat microbial infection in combination with other herbs. An effort has been made to isolate and charac…

Essential Oils and Antimicrobial ActivityPharmacological Effects of Natural CompoundsPhytochemistry and Bioactive Compounds

Propensity to Form Amyloid Fibrils Is Encoded as Excitations in the Free Energy Landscape of Monomeric Proteins

Pavel I. Zhuravlev、Govardhan Reddy、John E. Straub 等 5 位作者2014-01-01NOT FOUND REPOSITORY (Indian Institute of Science Bangalore)

Protein aggregation, linked to many of diseases, is initiated when monomers access rogue conformations that are poised to form amyloid fibrils. We show, using simulations of src SH3 domain, that mechanical force enhances the population of the aggregation-prone (N*) states, which are rarely populated under force free n…

Protein Structure and DynamicsAlzheimer's disease research and treatmentsEnzyme Structure and Function

Soluble oxide gate dielectrics prepared using the self-combustion reaction for high-performance thin-film transistors

Eun Jin Bae、Young Hun Kang、Mijeong Han 等 5 位作者2014-01-01Journal of Materials Chemistry C

We report the fabrication of high-performance metal oxide thin-film transistors (TFTs) with AlO x gate dielectrics using combustion chemistry in a solution process to provide energy to convert oxide precursors into oxides at low temperatures.

ZnO doping and propertiesSemiconductor materials and devicesThin-Film Transistor Technologies

Enhanced antitumor activity of realgar mediated by milling it to nanosize

Xiaobo Wang、Ye Tian、Ronggang Xi 等 9 位作者2014-01-01International Journal of Nanomedicine

Realgar is a poorly water-soluble compound that exhibits poor bioavailability. To improve this, the authors reduced the particle size of realgar to nanoscale by high-energy ball milling and optimized the preparation process under which (realgar weight 40 g, milling time 9 hours, milling speed 38 Hz, milling temperatur…

Nanoparticle-Based Drug DeliveryDrug Transport and Resistance MechanismsCancer therapeutics and mechanisms

Paclitaxel loaded human serum albumin nanoparticles stabilized with intermolecular disulfide bonds

Shufang Zhao、Wentan Wang、Yanbin Huang 等 5 位作者2014-01-01MedChemComm

A self-cross-link strategy was adopted to form inter-protein disulfide crosslinks with albumin's own thiol groups. PTX was further entrapped non-covalently in the HSA matrix to form paclitaxel loaded HSA nanoparticles (PTX-HSA-NPs).

Nanoparticle-Based Drug DeliveryInnovative Microfluidic and Catalytic Techniques InnovationProtein Interaction Studies and Fluorescence Analysis

Deterministic temperature shaping using plasmonic nanoparticle assemblies

Guillaume Baffou、Esteban Bermúdez‐Ureña、Pascal Berto 等 6 位作者2014-01-01Nanoscale

We introduce a deterministic procedure, named TSUNA for Temperature Shaping Using Nanoparticle Assemblies, aimed at generating arbitrary temperature distributions on the microscale. The strategy consists in (i) using an inversion algorithm to determine the exact heat source density necessary to create a desired temper…

Plasmonic and Surface Plasmon ResearchOptical Coatings and GratingsThermal Radiation and Cooling Technologies

Zinc(ii) and cadmium(ii) metal–organic frameworks with 4-imidazole containing tripodal ligand: sorption and anion exchange properties

Shui-Sheng Chen、Peng Wang、Satoshi Takamizawa 等 6 位作者2014-01-01Dalton Transactions

The use of a 4-imidazole containing tripodal ligand 1,3,5-tri(1H-imidazol-4-yl)benzene (H3L) enabled isolation of two three-dimensional (3D) porous metal-organic frameworks (MOFs) [Zn(HL)] · solvent (1) and [Cd(H3L)2](ClO4)2 · 10.5H2O (2) featuring 4,4- and 3,6-connected nets related to the structures of ecl and pyrit…

Metal-Organic Frameworks: Synthesis and ApplicationsMetal complexes synthesis and propertiesMagnetism in coordination complexes

Reduced graphene oxide and graphene composite materials for improved gas sensing at low temperature

Alexander Zöpfl、Michael-Maximilian Lemberger、Matthias König 等 6 位作者2014-01-01Faraday Discussions

Reduced graphene oxide (rGO) was investigated as a material for use in chemiresistive gas sensors. The carbon nanomaterial was transferred onto a silicon wafer with interdigital gold electrodes. Spin coating turned out to be the most reliable transfer technique, resulting in consistent rGO layers of reproducible quali…

Graphene research and applicationsGas Sensing Nanomaterials and SensorsTransition Metal Oxide Nanomaterials

Pectin coated polyaniline nanoparticles for an amperometric glucose biosensor

Bhawana Thakur、Chellachamy A. Amarnath、Shilpa N. Sawant2014-01-01RSC Advances

A facile strategy for synthesis of polyaniline nanoparticles and their application for development of highly sensitive amperometric glucose biosensor is demonstrated herein.

Advanced biosensing and bioanalysis techniquesElectrochemical sensors and biosensorsConducting polymers and applications

“Smart” theranostic lanthanide nanoprobes with simultaneous up-conversion fluorescence and tunable T 1 – T 2 magnetic resonance imaging contrast and near-infrared activated photodynamic therapy

Yan Zhang、Gautom Kumar Das、Vimalan Vijayaragavan 等 8 位作者2014-01-01Nanoscale

The current work reports a type of "smart" lanthanide-based theranostic nanoprobe, NaDyF4:Yb(3+)/NaGdF4:Yb(3+),Er(3+), which is able to circumvent the up-converting poisoning effect of Dy(3+) ions to give efficient near infrared (980 nm) triggered up-conversion fluorescence, and offers not only excellent dark T2-weigh…

Luminescence Properties of Advanced MaterialsNanoplatforms for cancer theranosticsLanthanide and Transition Metal Complexes

Muscle acellular scaffold as a biomaterial: effects on C2C12 cell differentiation and interaction with the murine host environment

Barbara Perniconi2014-01-01Frontiers in Physiology

The extracellular matrix (ECM) of decellularized organs possesses the characteristics of the ideal tissue-engineering scaffold (i.e., histocompatibility, porosity, degradability, non-toxicity). We previously observed that the muscle acellular scaffold (MAS) is a pro-myogenic environment in vivo. In order to determine…

Muscle Physiology and DisordersElectrospun Nanofibers in Biomedical ApplicationsTissue Engineering and Regenerative Medicine