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In silico characterization of protein partial molecular volumes and hydration shells

Sara Del Galdo、Paolo Marracino、Marco D’Abramo 等 4 位作者2015-01-01Physical Chemistry Chemical Physics

In this paper we present a computational approach, based on NVT molecular dynamics trajectories, that allows the direct evaluation of the protein partial molecular volume. The results obtained for five different globular proteins demonstrate the accuracy of this computational procedure in reproducing protein partial m…

Protein Structure and DynamicsEnzyme Structure and FunctionSpectroscopy and Quantum Chemical Studies

Comparative study on temperature/pH sensitive xylan-based hydrogels: their properties and drug controlled release

Cundian Gao、Junli Ren、Weiqing Kong 等 5 位作者2015-01-01RSC Advances

Temperature/pH dual-responsive hydrogels as a new intestinal-targeted carriers were prepared by the grafting copolymerization of xylan possessing different functional groups with AM and NIPAm via ultraviolet irradiation.

Hydrogels: synthesis, properties, applicationsAdvanced Drug Delivery SystemsSupramolecular Self-Assembly in Materials

Synthesis of efficient photocatalysts for water oxidation and dye degradation reactions using CoCl 2 eutectics

Christian Fettkenhauer、Xinchen Wang、Kamalakannan Kailasam 等 5 位作者2015-01-01Journal of Materials Chemistry A

Dyadic cobalt oxide-containing carbon nitride-based composite photocatalysts that are highly active in Rhodamine B degradation and water oxidation reactions were prepared by easy one-step thermal condensation of dicyandiamide in CoCl 2 salt melts.

Advanced Photocatalysis TechniquesCopper-based nanomaterials and applicationsNanomaterials for catalytic reactions

Band gap narrowing in nitrogen-doped La 2 Ti 2 O 7 predicted by density-functional theory calculations

Junying Zhang、Wenqiang Dang、Zhimin Ao 等 5 位作者2015-01-01Physical Chemistry Chemical Physics

In order to reveal the origin of enhanced photocatalytic activity of N-doped La2Ti2O7 in both the visible light and ultraviolet light regions, its electronic structure has been studied using spin-polarized conventional density functional theory (DFT) and the Heyd-Scuseria-Ernzerhof (HSE06) hybrid approach. The results…

Advanced Photocatalysis TechniquesLuminescence Properties of Advanced MaterialsElectronic and Structural Properties of Oxides

Efficient ternary organic photovoltaics incorporating a graphene-based porphyrin molecule as a universal electron cascade material

Minas Μ. Stylianakis、Dimitrios Konios、George Kakavelakis 等 8 位作者2015-01-01Nanoscale

A graphene-based porphyrin molecule (GO-TPP) was synthesized by covalent linkage of graphene oxide (GO) with 5-(4-aminophenyl)-10,15,20-triphenyl porphyrin (TPP-NH2). The yielded graphene-based material is a donor-acceptor (D-A) molecule, exhibiting strong intermolecular interactions between the GO core (A) and the co…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsMolecular Junctions and Nanostructures

Ag-nanogel blended polymeric membranes with antifouling, hemocompatible and bactericidal capabilities

Yi Xia、Chong Cheng、Rui Wang 等 6 位作者2015-01-01Journal of Materials Chemistry B

ions and vitamin C reduction. The successful preparation of Ag-nanogel blended polymeric membranes has been confirmed by FTIR spectra and XPS patterns. The surface SEM images suggest that there are abundant Ag-nanogels embedded on the composite membrane surfaces. The cross-sectional SEM images give clear evidence that…

Membrane Separation TechnologiesPolymer Surface Interaction StudiesGraphene and Nanomaterials Applications

Template-free synthesis of 3D hierarchical amorphous aluminum oxide microspheres with broccoli-like structure and their application in fluoride removal

Dongjuan Kang、Shengrui Tong、Xiaolin Yu 等 4 位作者2015-01-01RSC Advances

Amorphous aluminum oxide microspheres with broccoli-like structures are obtained using a multistep crystal adsorption-splitting method, which display excellent adsorption performance.

Layered Double Hydroxides Synthesis and ApplicationsFluoride Effects and RemovalAerogels and thermal insulation

Susceptibility losses in heating of magnetic core/shell nanoparticles for hyperthermia: a Monte Carlo study of shape and size effects

Marianna Vasilakaki、C. Binns、K. N. Trohidou2015-01-01Nanoscale

Optimizing the heating properties of magnetic nanoparticles is of great importance for hyperthermia applications. Recent experimental results show that core/shell nanoparticles could give an increased specific absorption rate (SAR) compared to the magnetic oxide nanoparticles currently used. We have developed a modifi…

Nanoparticle-Based Drug DeliveryElectrostatics and Colloid InteractionsCharacterization and Applications of Magnetic Nanoparticles

Electrical stimulation of human mesenchymal stem cells on biomineralized conducting polymers enhances their differentiation towards osteogenic outcomes

John G. Hardy、Rushi C. Sukhavasi、David Aguilar Jr. 等 10 位作者2015-01-01Journal of Materials Chemistry B

Tissue scaffolds allowing the behaviour of the cells that reside on them to be controlled are of particular interest for tissue engineering. Herein we describe biomineralized conducting polymer-based bone tissue scaffolds that facilitate the electrical stimulation of human mesenchymal stem cells, resulting in enhancem…

Bone Tissue Engineering MaterialsElectrospun Nanofibers in Biomedical ApplicationsGraphene and Nanomaterials Applications

Applications of regenerative medicine in organ transplantation

Aditya Jain、Ramta Bansal2015-01-01Journal of Pharmacy And Bioallied Sciences

A worldwide shortage of organs for clinical implantation establishes the need to bring forward and test new technologies that will help in solving the problem. The concepts of regenerative medicine hold the potential for augmenting organ function or repairing damaged organ or allowing regeneration of deteriorated orga…

Mesenchymal stem cell researchElectrospun Nanofibers in Biomedical ApplicationsTissue Engineering and Regenerative Medicine

Nanotubular structured Si-based multicomponent anodes for high-performance lithium-ion batteries with controllable pore size via coaxial electro-spinning

Jaegeon Ryu、Sinho Choi、Taesoo Bok 等 4 位作者2015-01-01Nanoscale

We demonstrate a simple but straightforward process for the synthesis of nanotube-type Si-based multicomponents by combining a coaxial electrospinning technique and subsequent metallothermic reduction reaction. Si-based multicomponent anodes consisting of Si, alumina and titanium silicide show several advantages for h…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationExtraction and Separation Processes

In situ high-energy synchrotron X-ray diffraction studies and first principles modeling of α-MnO 2 electrodes in Li–O 2 and Li-ion coin cells

Zhenzhen Yang、Lynn Trahey、Yang Ren 等 7 位作者2015-01-01Journal of Materials Chemistry A

In situ synchrotron diffraction and first principles modeling shows structural changes in α-MnO 2 during cycling in Li–O 2 battery cells, as lithium and oxygen are incorporated into and removed from tunnels in the structure.

Advancements in Battery MaterialsSupercapacitor Materials and FabricationAdvanced Battery Materials and Technologies

An electrochemical aptasensor based on a TiO 2 /three-dimensional reduced graphene oxide/PPy nanocomposite for the sensitive detection of lysozyme

Minghua Wang、Shuyong Zhai、Zihan Ye 等 10 位作者2015-01-01Dalton Transactions

A sensitive aptasensor based on a nanocomposite of hollow titanium dioxide nanoball, three-dimensional reduced graphene oxide, and polypyrrole (TiO2/3D-rGO/PPy) was developed for lysozyme detection. A lysozyme aptamer was easily immobilized onto the TiO2/3D-rGO/PPy nanocomposite matrix by assembling the aptamer onto g…

Advanced biosensing and bioanalysis techniquesBiosensors and Analytical DetectionAdvanced Nanomaterials in Catalysis

Polymeric Drug-Delivery Systems: Role in P-gp Efflux System Inhibition

Preeti Gupta、Tarun Garg、M. Tanmay 等 4 位作者2015-01-01Critical Reviews in Therapeutic Drug Carrier Systems

Permeability glycoprotein (P-gp), a multispecific drug transporter belonging to the multidrug resistance (MDR) gene subfamily, is mainly responsible for efflux of diffused intracellular drugs, resulting in poor drug bioavailability. P-gp is overexpressed in the blood-brain barrier, gastrointestinal tract (GIT), kidney…

Nanoparticle-Based Drug DeliveryDrug Solubulity and Delivery SystemsDrug Transport and Resistance Mechanisms

Modulated excitation extended X-ray absorption fine structure spectroscopy

Gian Luca Chiarello、Davide Ferri2015-01-01Physical Chemistry Chemical Physics

The sensitivity of extended X-ray absorption fine structure spectroscopy (EXAFS) for minute structural changes can be enhanced by combination with the modulated excitation approach and making use of phase sensitive analysis. A modulated EXAFS experiment of a reversible periodic Pd to PdO partial oxidation has been sim…

Catalytic Processes in Materials ScienceX-ray Spectroscopy and Fluorescence AnalysisX-ray Diffraction in Crystallography