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The general base in the thymidylate synthase catalyzed proton abstraction

Ananda K. Ghosh、Zahidul Islam、Jonathan Krueger 等 5 位作者2015-01-01Physical Chemistry Chemical Physics

The enzyme thymidylate synthase (TSase), an important chemotherapeutic drug target, catalyzes the formation of 2'-deoxythymidine-5'-monophosphate (dTMP), a precursor of one of the DNA building blocks. TSase catalyzes a multi-step mechanism that includes the abstraction of a proton from the C5 of the substrate 2'-deoxy…

Cancer, Hypoxia, and MetabolismEnzyme Structure and FunctionBiochemical and Molecular Research

AgPO 2 F 2 and Ag 9 (PO 2 F 2 ) 14 : the first Ag( i ) and Ag( i )/Ag( ii ) difluorophosphates with complex crystal structures

Przemysław J. Malinowski、Dominik Kurzydłowski、Wojciech Grochala2015-01-01Dalton Transactions

The reaction of AgF2 with P2O3F4 yields a mixed valence Ag(I)/Ag(II) difluorophosphate salt with AgAg(PO2F2)14 stoichiometry - the first Ag(ii)-PO2F2 system known. This highly moisture sensitive brown solid is thermally stable up to 120 °C, which points at further feasible extension of the chemistry of Ag(ii)-PO2F2 sy…

Metal-Organic Frameworks: Synthesis and ApplicationsCrystal Structures and PropertiesInorganic Fluorides and Related Compounds

Tunable emission in dye-doped truxene-based organogels through RET

Juan F. Galisteo‐López、Sandra Gómez‐Esteban、Berta Gómez‐Lor 等 4 位作者2015-01-01Journal of Materials Chemistry C

A novel organic system with tunable emission is demonstrated comprising a truxene-based organogel which resonantly transfers energy to a dopant organic molecule.

Luminescence and Fluorescent MaterialsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Collective dynamics of glass-forming polymers at intermediate length scales . A synergetic combination of neutron scattering, atomistic simulations and theoretical modelling

Juan Colmenero、F. Álvarez、Arantxa Arbe2015-01-01OpenAlex

Motivated by the proposition of a new theoretical ansatz (V.N. Novikov, K.S. Schweizer, A.P. Sokolov, J. Chem. Phys. 138, 164508 (2013)), we have revisited the question of the characterization of the collective response of polyisobutylene at intermediate length scales observed by neutron spin echo (NSE) experiments. T…

High-pressure geophysics and materialsMaterial Dynamics and PropertiesNMR spectroscopy and applications

Nano Phase Characterization by Transmission Electron Microscopy: Experimental and Simulation

Francisco Ascencio、Lourdes Bazán-Díaz、Rubén Mendoza‐Cruz 等 6 位作者2015-01-01Materials Sciences and Applications

This paper introduces a methodology of characterization of nanostructured systems in which trans- mission electron microscopy is used as a central element of the study. Experimental studies of HREM are performed in parallel with studies in the Simula TEM program to stimulate high-resolution images and diffraction patt…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsIron oxide chemistry and applications

New Flexible and Transparent Solution-Based Germanium-Sulfide Polymeric Materials

Denise Toledo Bonemer De Salvi、Aldo Eloízo Job、Sidney J. L. Ribeiro2015-01-01Journal of the Brazilian Chemical Society

New flexible and transparent materials based on germanium sulfide were obtained using GeCl4 and 1,3-propanedithiol as precursors. These materials have transparency in the ultraviolet-visible (UV-Vis) spectral region (about 70%), thermal stability up to 200 °C and glass transition located at temperatures below 0 °C (-3…

Synthesis and properties of polymersTribology and Wear AnalysisSilicone and Siloxane Chemistry

Advanced Nanomaterials for Energy‐Related Applications

Jiayu Wan、Taeseup Song、Cristina Flox 等 6 位作者2015-01-01Journal of Nanomaterials

Energy has been the cornerstone of sustainable development of our economy and society. The dramatic demand on energy supply to be as unrestricted as possible, however, leads to conflicting feedback loops on the ecological environment. Thus, research is appealing worldwide to diminish the negative environmental consequ…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationAdvanced battery technologies research

Probing the coordination environment of Ti 3+ ions coordinated to nitrogen-containing Lewis bases

Elena Morra、Sara Maurelli、Mario Chiesa 等 4 位作者2015-01-01Physical Chemistry Chemical Physics

Multi-frequency continuous-wave and pulsed EPR techniques are employed to investigate the coordination of nitrogen-containing ligands to Ti(3+)-chloro complexes. Frozen solutions of TiCl3 and TiCl3(Py)3 dissolved in nitrogen-containing solvents have been investigated together with the TiCl3(Py)3 solid-state complex. F…

Crystallography and molecular interactionsAdvanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallography

Mechanism of anisotropic surface self-diffusivity at the prismatic ice–vapor interface

Ivan Gladich、Amrei Oswald、Natalie D Bowens 等 7 位作者2015-01-01Physical Chemistry Chemical Physics

Predictive theoretical models for mesoscopic roughening of ice require improved understanding of attachment kinetics occurring at the ice-vapor interface. Here, we use classical molecular dynamics to explore the generality and mechanics of a transition from anisotropic to isotropic self-diffusivity on exposed prismati…

Material Dynamics and PropertiesTheoretical and Computational Physicsnanoparticles nucleation surface interactions

Controlled Synthesis of Hierarchically Assembled Porous ZnO Microspheres with Enhanced Gas‐Sensing Properties

Shengsheng You、Haojie Song、Jing Qian 等 5 位作者2015-01-01Journal of Nanomaterials

The ZnO microspheres constructed by porous nanosheets were successfully synthesized by calcinating zinc hydroxide carbonate (ZHC) microspheres obtained by a sample hydrothermal method. The samples were characterized in detail with scanning electron microscopy (SEM), transmission electron microscopy (TEM), X‐ray diffra…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsAdvanced Chemical Sensor Technologies

Natural Radioactivity Concentration And Effective Dose Rate From Jos Tin Mining Dumpsites In Rayfield, Nigeria

Felix B. Masok、P. L. Masiteng、Jwanbot I Daniel2015-01-01Journal of environment and earth science

The International Commission on Radiological Protection (ICRP) has recommended the annual effective dose equivalent limit of 1mSvy -1 for the individual members of the public and 20mSvy -1 for the radiation workers. The assessment of naturally occurring radio nuclides 226 Ra, 232 Th and 40 K in nine major tin mine dum…

Radioactivity and Radon MeasurementsGraphite, nuclear technology, radiation studiesNuclear and radioactivity studies

Highly reliable switching via phase transition using hydrogen peroxide in homogeneous and multi-layered GaZnO x -based resistive random access memory devices

Sung Pyo Park、Doo Hyun Yoon、Young Jun Tak 等 5 位作者2015-01-01Chemical Communications

Here, we propose an effective method for improving the resistive switching characteristics of solution-processed gallium-doped zinc oxide (GaZnO(x)) resistive random access memory (RRAM) devices using hydrogen peroxide. Our results imply that solution processed GaZnO(x) RRAM devices could be one of the candidates for…

Advanced Memory and Neural ComputingTransition Metal Oxide NanomaterialsCCD and CMOS Imaging Sensors

An ultrafast molecular rotor based ternary complex in a nanocavity: a potential “turn on” fluorescence sensor for the hydrocarbon chain

Sushant Murudkar、Aruna K. Mora、Prabhat K. Singh 等 5 位作者2015-01-01Physical Chemistry Chemical Physics

Formation of a ternary complex by an ultrafast molecular rotor (UMR) with a macrocyclic cavitand has been investigated for the sensitive detection of the alkyl chain of a surfactant. A benzothiazole based UMR, Thioflavin-T (ThT), has been used as a fluorescent probe. It is shown that ThT forms a very weak inclusion co…

Molecular Sensors and Ion DetectionSupramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine Chemistry

Insight into Bone-Derived Biological Apatite: Ultrastructure and Effect of Thermal Treatment

Quan Liu、Haobo Pan、Zhuofan Chen 等 4 位作者2015-01-01BioMed Research International

OBJECTIVES: This study aims at examining the ultrastructure of bone-derived biological apatite (BAp) from a series of small vertebrates and the effect of thermal treatment on its physiochemical properties. MATERIALS AND METHODS: Femurs/fin rays and vertebral bodies of 5 kinds of small vertebrates were firstly analyzed…

Bone Tissue Engineering MaterialsCalcium Carbonate Crystallization and InhibitionPeriodontal Regeneration and Treatments

van der Waals force-induced loading of proangiogenic nanoparticles on microbubbles for enhanced neovascularization

Jinrong Chen、Min Kyung Lee、Ellen C. Qin 等 5 位作者2015-01-01Nanoscale

Nanoparticles emerged as carriers of promising diagnostic and therapeutic molecules due to their unique size, injectability, and potential to sustainably release molecular cargos. However, with local injection of particles into target tissue, the significant particle loss caused by external biomechanical forces is a g…

Nanoparticle-Based Drug DeliveryUltrasound and Hyperthermia ApplicationsPhotoacoustic and Ultrasonic Imaging

Environmental/thermal barrier coating systems deposited on Nb/Nb 5 Si 3 based alloy

Reinhold Braun、Annika Lange、Uwe Schulz 等 7 位作者2015-01-01Materials at High Temperatures

Coupons of a Nb-silicide-based alloy with the nominal composition of 47Nb–25Ti–8Hf–2Cr–2Al–16Si (at-%) were coated with Co-, Ni- and FeB-modified M7Si6-based layers using pack-cementation. Subsequently, on one side of the coated samples, environmental/thermal barrier coatings (E/TBCs) of yttria partially stabilised zi…

High-Temperature Coating BehaviorsIntermetallics and Advanced Alloy PropertiesNuclear Materials and Properties