Local approximation of the correlation energy functional in the density matrix functional theory

A local approximation formula of the correlation energy functional E(c) in terms of the first-order reduced density matrix (1-RDM) is presented. With the contracted Schr?dinger equation the principal dependence of E(c) on the natural occupation numbers n(i) is identified. Using the effective mass theory, E(c) is expressed as a functional of the local density and the local variable, J = SUM (i)[square root of (n(i)(1-n(i))] /phi(i)/(2), where phi(i) are the natural spin orbitals. This local approximation satisfies the homogeneous coordinate scaling relation, gives the exact result for a one-electron system, and is almost free from the exchange energy error. It reproduced about 90% of the correlation energies of atoms and molecules.     

Néel temperature of quasi-low-dimensional Heisenberg antiferromagnets

The Néel temperature T(N) of quasi-one- and quasi-two-dimensional antiferromagnetic Heisenberg models on a cubic lattice is calculated by Monte Carlo simulations as a function of interchain (interlayer) to intrachain (intralayer) coupling J(')/J down to J(')/J approximately = 10(-3). We find that T(N) obeys a modified random-phase approximationlike relation for small J(')/J with an effective universal renormalized coordination number, independent of the size of the spin. Empirical formulas describing T(N) for a wide range of J(') and useful for the analysis of experimental measurements are presented.     

Evidence for a novel state of superconductivity in noncentrosymmetric CePt3Si: a 195Pt-NMR study

We report on novel antiferromagnetic (AFM) and superconducting (SC) properties of noncentrosymmetric CePt3Si through measurements of the 195Pt nuclear spin-lattice relaxation rate 1/T(1). In the normal state, the temperature (T) dependence of 1/T(1) unraveled the existence of low-lying levels in crystal-electric-field multiplets and the formation of a heavy-fermion (HF) state. The coexistence of AFM and SC phases that emerge at T(N)=2.2 K and T(c)=0.75 K, respectively, takes place on a microscopic level. CePt3Si is the first HF superconductor that reveals a peak in 1/T(1) just below T(c) and, additionally, does not follow the T3 law that used to be reported for most unconventional HF superconductors. We remark that this unexpected SC characteristic may be related to the lack of an inversion center in its crystal structure.     

Beam-size measurement with optical diffraction radiation at KEK accelerator test facility

An experiment on the investigation of optical diffraction radiation (ODR) from a slit target as a possible tool for noninvasive electron beam-size diagnostics has been performed at the KEK accelerator test facility. The experimental setup has been installed at the diagnostics section of the extraction line. We have performed the first incoherent ODR observation from a slit target. The measured angular distributions are in reasonable agreement with the theoretical expectation. The beam-size effect onto the ODR angular pattern has been observed. Moreover, the sensitivity to the beam size as small as 14 microm has been achieved.     

Schulzeines A-C, new alpha-glucosidase inhibitors from the marine sponge Penares schulzei

Three new alpha-glucosidase inhibitors, schulzeines A-C (1-3), were isolated from the marine sponge Penares schulzei. Their structures were elucidated by spectral analysis and chemical degradations to be the isoquinoline alkaloids, encompassing two amino acids, and C(28) fatty acid, the last of which was sulfated. Absolute stereochemistry of schulzeines was determined by application of the modified Mosher analysis to fragments obtained by chemical degradation. Schulzeines A-C inhibit alpha-glucosidase with IC(50) values of 48-170 nM.     

Supramolecular nanocarrier of siRNA from PEG-based block catiomer carrying diamine side chain with distinctive pKa directed to enhance intracellular gene silencing

An siRNA nanocarrier formed through self-assembly of PEG-based block catiomer possessing two distinct amino groups with different pKa values in a side chain was developed. This design provided the carrier with a sufficient siRNA complexation and an assumed buffering capacity in the endosomes, allowing it to exhibit remarkable gene knockdown abilities as well as sufficient serum tolerability.