The potential energy curve of the ground state of Mn(2) has been studied using a systematic sequence of complete active spaces. Deficiencies of the routinely used active space, built from atomic 4s and 3d orbitals, has been identified and discussed. It is shown that an additional sigma(g) orbital, originating from the atomic virtual 4p(z) orbitals, is essential for a proper description of stati...

1,4,5,8-Tetraethynylnaphthalene derivatives 4a-c were synthesized for the first time. X-ray crystallographic structure analysis of 4a revealed three different modes of distortion, expanding of the substituents, twisting of the naphthalene skeleton and bending of the acetylene units, to reduce steric repulsion.

PURPOSE This study determined and compared the distances from the maxillary root apices of posterior teeth to the floor of the maxillary sinus, or maxillary sinus distances (MSDs), and the distances from the mandibular root apices of the posterior teeth to the mandibular canal, or mandibular canal distances (MCDs), in Thai subjects with skeletal open bite and skeletal normal bite. MATERIALS A...

Broad band reverberation measurements were collected in deep water (2067m) off Vizag. TNT scare charges (0.450 kg) were used as sound sources which were expended from the ship. The signals were recorded using two hydrophones deployed from the ship. The sound speed profile exhibits 63m duct with a limiting ray angle of about 4.47o and lower cut off frequency of 177 Hz. A flat plateau and then su...

Newer parts of sex chromosomes, neo-sex chromosomes, offer unique possibilities for studying gene degeneration and sequence evolution in response to loss of recombination and population size decrease. We have recently described a neo-sex chromosome system in Sylvioidea passerines that has resulted from a fusion between the first half (10 Mb) of chromosome 4a and the ancestral sex chromosomes. I...

People have a fundamental motive to view their social system as just, fair, and good and will engage in a number of strategies to rationalize the status quo (Jost & Banaji, 1994). We propose that one way in which individuals may "justify the system" is through endorsement of essentialist explanations, which attribute group differences to deep, essential causes. We suggest that system-justifying...

5-Methyl-6-phenyl-2-thioxothieno[2,3-d]pyrimidone derivative (2) reacted with hydrazonoyl chloride derivatives to afford triazolothienopyrimidones 4a-f. Also, acetone-1-(2-amino-5-isopropyl-thiophene-3-carbonitrile) (3) reacted with functional and bifunctional groups to yield the corresponding compounds 5-11. The new products showed anti-inflammatory, analgesic, and ulcerogenic activities compa...

The Noc1-4p proteins were previously reported to be involved in intranuclear and nucleocytoplasmic transport of pre-ribosomes. Using fold recognition and structural modeling, we show that Noc1-4p are largely comprised of alpha-helical repeats similar to HEAT repeats. Because other HEAT-repeat proteins play key roles in transport processes, this finding provides a plausible mechanistic explanati...

Seven novel N-arylsulfonyl-3-(2-yl-ethanone)-6-methylindole derivatives 4a-f and 6 were readily synthesized and have been identified as inhibitors of human immunodeficiency virus type-1 (HIV-1) replication. Initial biological studies indicated that among these derivatives, N-(p-ethyl)phenylsulfonyl-3-[2-morpholinoethanone]-6-methylindole (4f) and N-(p-ethyl)phenylsulfonyl-3-[2-(5-phenyl-1,3,4-o...

Previous studies have shown that the interoceptive nicotine conditional stimulus (CS) functions similarly to exteroceptive CSs such as lights or environments. For instance, the appetitive conditioned response (CR) evoked when nicotine is repeatedly paired with sucrose presentations (the unconditioned stimulus; US) is sensitive to changes in training dose (CS salience) and the contiguity between...