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Computational screening of combinatorial catalyst librariesElectronic supplementary information (ESI) available: predicted and observed e.e. values for the 88 catalysts in the library; full CoMFA parameters; aligned molecular coordinates. See http://www.rsc.org/suppdata/cc/b4/b402378a/

James L. Melville、Benjamin I. Andrews、Barry Lygo 等 4 位作者2004-01-01Chemical Communications

A catalyst design methodology, utilizing combinatorial synthesis in parallel with chemometric analysis, is presented, which considers the 3D steric and electrostatic properties of substituents about a constant core structure.

Computational Drug Discovery MethodsCatalysis and Oxidation ReactionsMachine Learning in Materials Science

Design of a doubly-hydrophilic block copolypeptide that directs the formation of calcium carbonate microspheresElectronic supplementary information (ESI) available: circular dichroism spectrum of 1 and a table summarizing the effects of different block copolypeptides on the morphology of calcium carbonate crystallization. See http://www.rsc.org/suppdata/cc/b4/b403211j/

Larken E. Euliss、Tina M. Trnka、Timothy J. Deming 等 4 位作者2004-01-01Chemical Communications

The crystallization of calcium carbonate into microspheres has been accomplished using the rationally-designed, doubly-hydrophilic block copolypeptide poly(Nepsilon-2[2-(2-methoxyethoxy)ethoxy]acetyl-L-lysine)(100)-b-poly(L-aspartate sodium salt)30 as a structure-directing agent.

biodegradable polymer synthesis and propertiesChemical Synthesis and AnalysisCalcium Carbonate Crystallization and Inhibition

Porphyrins with fused exocyclic rings

M. Graça H. Vicente、Kevin M. Smith2004-01-01Journal of Porphyrins and Phthalocyanines

A review is presented of the authors’ work, and directly relevant work of others, on the synthesis, structure and chemistry of porphyrin systems bearing fused aliphatic and π-conjugated rings. This includes a number of oligomeric porphyrin arrays.

Supramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine ChemistrySynthesis and Properties of Aromatic Compounds

Influences of Layering Process on Theophylline Pellet Characteristics

Nuttanan Sinchaipanid、Padungkwan Chitropas、Ampol Mitrevej2004-01-01Pharmaceutical Development and Technology

This study evaluated and compared theophylline pellets prepared by both suspension and powder layering processes using the bottom spray coater and the tangential rotary granulator, respectively. Hydroxypropyl methylcellulose (HPMC) and hydroxypropyl cellulose (HPC) were employed as binders at various concentrations. T…

Drug Solubulity and Delivery SystemsAnalytical Chemistry and ChromatographyCrystallization and Solubility Studies

New materials and technologies

R. Pampuch2004-01-01OpenAlex

Abstract. A short overview of the developments of functional materials featuring miniaturisation and integration is illustrated by examples taken from the field of ceramic functional materials. To obtain new materials new methods are required. Most of them are microfabrication processes developed by the “top-down ” ap…

Ferroelectric and Piezoelectric MaterialsAdvanced ceramic materials synthesisMicrowave Dielectric Ceramics Synthesis

Application of X-ray fluorescence techniques for the determination of hazardous and essential trace elements in environmental and biological materials

S. Bamford、D. Wȩgrzynek、E. Chinea‐Cano 等 4 位作者2004-01-01Nukleonika

The utilization of X-ray fluorescence technique for the determination of trace element concentrations in environmental and biological samples is presented. The analytical methods used include energy dispersive X-ray fluorescence with polarizing secondary targets, total reflection X-ray fluorescence, direct in-situ X-r…

X-ray Spectroscopy and Fluorescence AnalysisRadiation Shielding Materials AnalysisAdvanced X-ray and CT Imaging

Pechini-type in-situ polymerizable complex (IPC) method applied to the synthesis of Y2O3:Ln (Ln = Ce or Eu) nanocrystallitesElectronic supplementary information (ESI) available: EDX spectra of calcined Y2O3:Ce and Y2O3:Eu samples. See http://www.rsc.org/suppdata/jm/b3/b309606h/

Suree Saengkerdsub、Hee‐Jung Im、C. Willis 等 4 位作者2004-01-01Journal of Materials Chemistry

A Pechini-type, in-situ polymerizable complex (IPC) method was demonstrated as applicable to the synthesis of nanocrystalline multicomponent metal oxides with reproducibility and reasonable yield. In oleic acid–octyl ether reaction media, nanocrystalline, phase-pure Y2O3:Ln (Ln = Ce or Eu) samples were prepared with s…

ZnO doping and propertiesLuminescence Properties of Advanced MaterialsQuantum Dots Synthesis And Properties

Porphyrin ring contraction: a one-pot reaction leading to divalent corrolesElectronic supplementary information (ESI) available: experimental procedures for syntheses of corrole 4 and ketone 3 (R = OEt), and for preparing 4 from 11 (R = H). See http://www.rsc.org/suppdata/cc/b4/b400812j/

Christophe Jeandon、Romain Ruppert、H. J. CALLOT2004-01-01Chemical Communications

Reaction of nickel meso-tetraarylporphyrins with benzoic anhydride and tin tetrachloride, followed by air oxidation under basic conditions, results in ring contraction, yielding divalent corroles.

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsSurface Chemistry and Catalysis

Amido-modified polylactide for potential tissue engineering applications

Nilmini K. Abayasinghe、K. Prasanna U. Perera、Chuck Thomas 等 8 位作者2004-01-01Journal of Biomaterials Science Polymer Edition

Poly(ester amide) copolymers based on L-lactide (2) and a new depsipeptide (1) were prepared by ring opening polymerization in the presence of Sn(Oct)2 as the catalyst. Variable monomer feed ratios up to 2.3 mol% 1 afforded copolymers containing ester and amido functional groups in the backbone. Lower glass transition…

biodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical ApplicationsGraphene and Nanomaterials Applications

Synthesis of an Isophorone‐Based Nonlinear Optical Chromophore

Matthew C. Davis、Andrew P. Chafin、Richard A. Hollins 等 7 位作者2004-01-01Synthetic Communications

The synthesis of a “CLD‐type” nonlinear optical chromophore incorporating the isophorone unit to rigidize the polyene segment is described. The synthesis required seven steps with an overall yield of 17%.

Nonlinear Optical Materials ResearchPhotorefractive and Nonlinear OpticsMolecular spectroscopy and chirality

Coupling of Biomass Steam Gasification and an SOFC-Gas Turbine Hybrid System for Highly Efficient Electricity Generation

Tobias Proell、Reinhard Rauch、Christian Aichernig 等 4 位作者2004-01-01OpenAlex

An energetic model of an internal reforming solid oxide fuel cell (IRSOFC) is developed. It is integrated in a process coupling fluidized bed steam gasification of biomass and an IRSOFC-gas turbine hybrid cycle. Process simulation is performed using the software package IPSEpro. The model of the gasification and gas c…

Advancements in Solid Oxide Fuel CellsCatalysts for Methane ReformingChemical Looping and Thermochemical Processes

The synthesis of HgS nanoparticles in polystyrene matrix

P. Sreekumari Nair、T. Radhakrishnan、Neerish Revaprasadu 等 5 位作者2004-01-01Journal of Materials Chemistry

A composite of nanodimensional HgS and polystyrene has been prepared by reacting a solution of the copolymer formed from mercury acrylamide and styrene in chloroform solution with H2S. The product shows different colours depending on the amount of H2S used. The composite material has been characterised by UV, PL, TEM,…

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

Smectic C Phases and Reentrant Behavior in Cholesterol Containing Dimer Liquid Crystals

Antonius T. M. Marcelis、Arie Koudijs、Ernst J. R. Sudhölter2004-01-01Molecular Crystals and Liquid Crystals

A series of dodecyloxybiphenylyl and cholesteryl group containing dimers with ethers as spacers have been prepared and their liquid crystalline properties were investigated as a function of spacer length. For short spacers SmA and SmC phases were observed with monolayer ordering. This is aparent from polarization micr…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsFood Chemistry and Fat Analysis

Design of NiO–MgO materials with different properties

Marc Serra、Pilar Salagre、Yolanda Cesteros 等 5 位作者2004-01-01Physical Chemistry Chemical Physics

Several NiO–MgO systems were prepared from commercial nickel nitrate hexahydrate and MgO by means of different preparative paths and with two NiO/MgO weight ratios. All the samples were structurally characterized by using BET, XRD, SEM and TPR techniques. These preparative paths lead to NiO–MgO samples with different…

Advanced Condensed Matter PhysicsLayered Double Hydroxides Synthesis and ApplicationsMagnesium Oxide Properties and Applications

Ab initio study of 2H-MoS 2 using Hay and Wadt effective core pseudo-potentials for modelling the (1010) surface structure

Teodora Todorova、Valentin Alexiev、R. Prins 等 4 位作者2004-01-01Physical Chemistry Chemical Physics

Periodic Hartree–Fock and DFT methods were employed to calculate the geometric and electronic properties of bulk 2H-MoS2 and of its catalytically important (100) edge structure. The core electrons of molybdenum and sulfur were represented by the effective core pseudo-potentials, developed by Hay and Wadt. For the calc…

Corrosion Behavior and InhibitionMetal and Thin Film MechanicsMXene and MAX Phase Materials

Mechanical Deformation of Polyurethanes

Peter R. Laity、Jennifer E. Taylor、Steven S. Wong 等 10 位作者2004-01-01Journal of Macromolecular Science Part B

The mechanical properties of thermoplastic polyurethanes (TPU) depend upon their composition and the complex two‐phase morphologies, which originate from microphase separation of chains segments. In the present work, poly(ether‐urethanes) were prepared with hard segment contents from 36% to 71% by weight, by systemati…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesPolymer composites and self-healing

Shear Cell for In Situ WAXS, SAXS, and SANS Experiments on Polymer Melts Under Flow Fields

Aurora Nogales、S.A. Thornley、Geoffrey R. Mitchell2004-01-01Journal of Macromolecular Science Part B

A small‐volume shear cell designed to perform in situ scattering experiments is presented. This device allows the in situ structural study of deformations in polymeric melts and their subsequent crystallization. It is designed specifically for scattering experiments where the rheometer must be held in a vertical posit…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesRheology and Fluid Dynamics Studies

Coordination Environment of Fluorine in the CaO-SiO2-CaF2 Glasses Bearing Na2O: A Solid-state 19F MAS NMR Study

Miyuki Hayashi、Takashi Watanabe、Kazuhiro Nagata 等 4 位作者2004-01-01ISIJ International

The coordination environment of fluorine in the CaO-SiO2-CaF2-Na2O glasses has been measured by 19F MAS NMR over a wide composition range including the similar compositions to those of mould fluxes so as to determine the composition dependence of the coordination environment of F−. Most of F− are fourfold-coordinated…

Glass properties and applicationsCultural Heritage Materials AnalysisX-ray Spectroscopy and Fluorescence Analysis

Experimental and Numerical Study of Free-Field Blast Mitigation

R. M. Allen2004-01-01AIP conference proceedings

The development of a fundamental understanding of the mechanisms governing the attenuation of explosives effects by a surrounding mitigant material or system would benefit many civilian and military applications. Current approaches rely almost exclusively on empirical data, few if any truly predictive models exist. Ds…

Energetic Materials and CombustionHigh-Velocity Impact and Material BehaviorStructural Response to Dynamic Loads

Thermal Properties of 1×1, 2×2, 3×3 Rib Knit Fabrics

Nuray Uçar、Turgut O. Yilmaz2004-01-01Fibres and Textiles in Eastern Europe

The thermal property of fabric is very important for both its thermal comfort and protection against challenging weather conditions. Although some research has reportedly been done on the dimensional and some of the mechanical properties of rib knit fabrics, no detailed study about the thermal properties of rib knit f…

Textile materials and evaluations