Materials Literature
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A study of the effect of microgravity on biomineralization/remineralization by considering Ca mineral nucleation under gravity and microgravity is presented. The structure of human bone is determined to a large extent by the turnover of the bone, which included nucleation of biominerals adjacent to biosubstrates. Hete…
Sorcin is a 22 kD calcium-binding protein that is found in a wide variety of cell types, such as heart, muscle, brain and adrenal medulla.It belongs to the penta-EF-hand (PEF) protein family, which contains five EF-hand motifs that associate with membranes in a calcium-dependent manner.Prototypic members of this famil…
Among oligosaccharides, trehalose seems to be unique in nature as a bioprotector in drying and freezing processes. To understand the molecular mechanisms underlying the unusual bioprotective properties of trehalose in comparison with other disaccharides, the low-frequency dynamics of aqueous $({\mathrm{H}}_{2}\mathrm{…
We study the charge ordering (CO) in the one-dimensional (1D) extended Hubbard model at quarter filling where the nearest-neighbor Coulomb repulsion and dimerization in the hopping parameters are included. Using the cluster mean-field approximation to take into account the effect of quantum fluctuations, we determine…
The [(M+)x[18]crown-6)] supramolecular cations (SC+), in which M+ and [18]crown-6 are alkali metal ions (M+ = Li+, Na+, and Cs+) and 1,4,7,10,13,16-hexaoxacyclooctadecane, respectively, form ionic channel structures through the regular stacks of [18]crown-6 in [Ni(dmit)2]-based molecular conductors (dmit2+ = 2-thioxo-…
We report on the operation of an integrated gated cathode device using a single vertically aligned carbon nanofiber as the field emission element. This device is capable of operation in a moderate vacuum for extended periods of time without experiencing a degradation of performance. Less than 1% of the total emitted c…
Density functional calculations on oxo-manganese complexes of corrole (1) and porphyrin (2 and 3) show a fundamental difference. The ground state of I is the singlet manganese(V) state, 1A(MnV), in which corrole is a closed shell. In contrast, 2 and 3 have high-spin manganese(IV) states, 1A1u and 3A2u respectively. Th…
A novel synthesis is presented of a fourfold ethynyl-substituted perylene diimide dye 4, which acts as a core molecule for the buildup of polyphenylene dendrimers. Around the luminescent core 4, a first-generation (5), a second-generation (6), and a third-generation (7) polyphenylene dendritic environment consisting o…
Supramolecular complex formation imparts stability and substrate selectivity to a simple manganese-porphyrin-based epoxidation catalyst. Lewis acid/Lewis base directed assembly was used to encapsulate the epoxidation catalyst within a supramolecular square structure to form an enzyme-like catalyst system. The “molecul…
The strain dependence of the solution energy of substitutional species is derived by expanding the binary alloy energy with respect to concentration and strain to the second order. Within the approximation of small strain and concentration inhomogeneities, the energy change is found to be proportional to the solute-in…
The orthorhombic rare-earth cobaltate ${\mathrm{Nd}}_{0.67}{\mathrm{Sr}}_{0.33}{\mathrm{CoO}}_{3}$ is studied by neutron powder diffraction. The Co sublattice orders ferromagnetically below ${T}_{c}\ensuremath{\approx}200$ K with the magnetic moments aligned along the c axis. On cooling, ${\mathrm{Nd}}_{0.67}{\mathrm{…
The resistances of individual single-walled carbon nanotubes (SWNTs) are calculated based on Boltzmann transport equation, graphene approximation relation of electronic energy for SWNTs and weak localization (WL) theory. The theoretical results of resistance for SWNTs are compared with experimental measurements. It ha…
The first observation of a magnetic circular x-ray dichroism (MCXD) at the Mn ${L}_{2,3}$ core edges in antiferromagnetic ${\mathrm{LaMnO}}_{3}$ shows canted spin and orbital ( ${m}_{\mathrm{orb}}$) moments arising from lattice distortions. An ${L}_{2,3}$-edge MCXD in ferromagnetic metals and insulators, ${\mathrm{La}…
Abstract Organosoluble polyimides were synthesized with the alicyclic dianhydride 1,8‐dimethylbicyclo[2,2,2]oct‐7‐ene‐2,3,5,6‐tetracarboxylic dianhydride and aromatic diamines. The polyimides possessed good solubility both in strong dipolar solvents and in common solvents; the thermal decomposition temperature of the…
To elucidate the role of amino acid residues adjacent to the catalytic site of pepsin-like enzymes, we analyzed and compared the crystal structures of these enzymes, their complexes with inhibitors, and zymogens in the active site area (a total of 82 structures).In addition to the water molecule (W1) located between t…
Lead zirconate titanate (PZT) films were deposited on nesa silica glass substrates by spin coating using a Pb(NO3)2–Zr(OC3H7n)4–Ti(OC3H7i)4 solution containing polyvinylpyrrolidone and acetylacetone. The coating solution had stable viscosity for over 1300 h at room temperature. Single-layer PZT films as thick as 0.75…
Polymerized carbon nitride nanobells (CNNBs) have been intercalated by a large amount of Li ions using an electrochemical method. Li nanocrystals are observed on the inside surface of CNNB walls, which is direct evidence that a Li nanocrystal can exist at the micropore structure at a heavy intercalating level. Graphen…
We report the perovskite phase stabilization of 0.67Pb(Mg1/3Nb2/3)O3–0.33PbTiO3 (PMN-PT) epitaxial thin films by deposition onto miscut substrates. Films were grown on (001) SrTiO3 substrates with miscut angles from 0 to 8 degrees toward the [100] direction using 90° off-axis magnetron sputtering. Films on high miscut…
A supramolecular complex for investigating the thermodynamic properties of intermolecular aromatic stacking interactions has been developed. The conformation of the complex is locked in a single well-defined conformation by an array of H-bonding interactions that force two aromatic rings on one end of the complex into…
Stabilität und Substratselektivität werden einem einfachen Epoxidierungskatalysator auf Manganporphyrin-Basis durch supramolekulare Komplexbildung verliehen: Hierbei wird der Katalysator in eine supramolekulare quadratische Struktur eingebettet, wodurch ein enzymartiges katalytisches System erhalten wird. Das „molekul…