Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Neutron reflection has been used to determine the pH-dependent structural conformation of monoclonal antibody layers adsorbed at the hydrophilic silicon oxide/solution interface, within the pH range 4-8, over which the silicon oxide surface carried weak negative charges and the net charge on the antibody reversed. The…
The adsorption of isolated charged dendrimers onto oppositely charged flat surfaces is studied in this work using Brownian dynamics simulations. The dendrimer is modeled as a freely jointed bead-rod chain in which excluded-volume interactions are modeled by a repulsive Lennard-Jones potential and bead-bead and bead-su…
BACKGROUND: The major bottleneck for determination of 3 D structures of proteins using X-rays is the production of diffraction quality crystals. Often proteins are subjected to chemical modification to improve the chances of crystallization RESULTS: Here, we report the successful crystallization of a nuclease employin…
Ceramics are attractive materials for engineering applications involving high temperatures and corrosive chemicals. Here, an inexpensive and reproducible ceramic microfabrication technology was used to fabricate high‐density alumina structures for applications in microchemical systems. The new method is based on the g…
The crystal structure of YAl 3 C 3 was refined from laboratory X‐ray powder diffraction data (Cu K α 1 ) using the Rietveld method. The crystal structure is hexagonal (space group P 6 3 mc , Z =2) with lattice dimensions a =0.342157(4) nm, c =1.72820(1) nm, and V =0.175217(3) nm 3 . The final reliability indices were…
New core-modified, meso-alkylidenyl porphyrinoids bearing multiple exocyclic double bonds were synthesized and characterized. The synthesis was accomplished using a typical "3 + 1"-type condensation approach. Stable exocyclic tautomers bearing double bonds at the meso positions, as well the corresponding endocyclic ta…
A spectroscopic and computational study of a series of 2,5-bis(2-thien-2-ylethenyl) thiophene-based oligomers with a para-R-arylethenyl substituent is reported. The primary aim of this investigation is to increase understanding of how charge moves through these molecules by comparing the neutral and oxidized structure…
The shear alignment of binary crystals of polymeric micelles and small particles is demonstrated using contrast-variation SANS experiments. The larger micelles form close-packed crystals that serve as a template to the smaller nanosized particles. The simultaneous alignment of the two phases, micelles and templated pa…
We show that the time corresponding to the peak of the segmental relaxation time distribution and the mean time of that distribution for the components of several miscible polymer blends are strongly affected by both chain connectivity and concentration fluctuations. These two measures of characteristic segmental rela…
Abstract Tungsten oxide (WO 3 ) nanorods array prepared using chemical vapor deposition techniques was studied. The influence of oxygen gas concentration on the nanoscale tungsten oxide structure was observed; it was responsible for the stoichiometric and morphology variation from nanoscale particle to nanorods array.…
The tendency of molecules containing an Au...Au interaction to crystallize with more than one molecule in the asymmetric unit (i.e., Z ' > 1) and the geometry of the Au...Au interaction in X-Au-Y species have been investigated. Au-containing compounds exhibiting Au...Au interactions are shown to form Z ' > 1 structure…
Abstract The chiral and racemic 2-D antiferromagnets based on a cyano-bridged WV–CuII compound are constructed. Both compounds are similar crystal structure, but some differences in magnetic properties appear owing to the existence of the Dzyaloshinsky–Moriya (DM) interactions, that is generated by crystal chirality.
Relative solvation and binding free energies were calculated for a series of fructose-1,6-bisphosphatase inhibitors using a free energy perturbation (FEP) method that uses quantum mechanics (QM) for treating the inhibitors and molecular mechanics (MM) for treating the surroundings (solvent and protein). Accuracy was s…
Because of the unequal reactivity of the two amine groups of l -lysine hydrochloride, thermal polymerization of this asymmetrical AB 2 monomer results in hyperbranched polymers, which contain ∼2.5 times more N ε -linked linear compared to N α -linked linear structural units. This report discusses the feasibility of th…
We present a predictive model for the dynamics of miscible polymer blends by assuming that local composition variations determine segmental dynamics. We then properly incorporate the distributions of intrachain (“self-concentration”) and interchain (“concentration fluctuations”) contributions to the compositions surro…
Hyperbranched poly(urea−urethane)s (HPU) were covalently grafted onto the surfaces of multiwalled carbon nanotubes (MWNT) terminated with multihydroxyl groups by a grafting-from technique using one-pot polycondensation of diethanolamine (DEOA) and tolylene 2,4-diisocyanate (TDI). Core−shell nanostructures with MWNT as…
In the present work, the CO oxidation rate on size-selected Pd clusters supported on thin MgO films is investigated in pulsed molecular beam experiments. By varying the cluster coverage independent of the cluster size, we were able to change the ratio of direct and diffusion flux (reverse spill-over) of CO onto the cl…
Two kinds of photoresponsive azobenzene polyurethane-functionalized multiwalled carbon nanotubes (AzoPU-MWNTs) were successfully synthesized by in situ polycondensation of azobenzene monomer containing bis-hydroxyl (AzoM) with two types of diisocyanates, an aliphatic diisocyanate (HDI) as soft monomer and an aromatic…
In melts, ring polymers assume more compact conformations compared to linear chains with the same degree of polymerization N r, i.e. R r ∼ N r ν with ν ≈ 0.4, where R r is the radius of gyration. Upon gradually substituting some of the ring polymers with linear chains, the ring molecules swell. In the limit of infinit…
A stable aqueous electrolyte solution containing Cu 2+ and SCN − was prepared by adding triethanolamine (TEA, N(CH 2 CH 2 OH) 3 ) to chelate with Cu(II) cations. The electrolyte solutions were basic, with pH values in the range of 8.5–9, and could be used in the electrodeposition of CuSCN as a hole‐conducting layer on…