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A linear scaling multireference singles and doubles configuration interaction (MRSDCI) method has been developed. By using localized bases to span the occupied and virtual subspace, local truncation schemes can be applied in tandem with integral screening to reduce the various bottlenecks in a MRSDCI calculation. Among these, the evaluation of electron repulsion integrals and their subsequent tran

We present a novel ring resonator for second harmonic generation consisting of only two spherical mirrors and a refractive element. In our work we use periodically poled KTP as a nonlinear material for generating the second harmonic using an 808nm tapered grating stabilized external cavity laser as pump source. With 286mW of fundamental 808nm radiation coupled into the resonator, we generate 130mW

We theoretically investigate the mechanism of chemical enhancement of surface-enhanced resonance Roman scattering (SERRS) of para-aminothiophenol (PATP)/metal complexes and metal/PATP/metal junctions. The method of charge difference density is used to visualize intracluster excitation and charge transfer (CT) between PATP and metal during the process of resonant electronic transitions. It is found

Recently in the debate over the nation state and particularly the welfare state, new (or perhaps one should say ”recycled”) arguments have come into play, possibly as a consequence of an overall shift of focus in political philosophy. Critics of the welfare state was previously most concerned with what they saw as violations of individual property rights, that is, arguments concerning the philosop

The 3-hydroxy fatty acids (3-OHFAs) in lipopolysaccharides (LPS) play an important role in determining endotoxin activity, and childhood exposure to endotoxin has recently been associated with reduced risk of atopic diseases. To characterize the 3-OHFAs in house dust (HD), we used gas chromatography-mass spectrometry to assay 190 HD samples. Dust from beds, bedroom floors, family rooms, and kitche

Heparan sulfate inhibits the proliferation of normal human lung fibroblasts (HFL-1) but not of a human lung carcinoma cell-line (A549). in this study we investigated possible mechanisms and structural requirements by which anti proliferative heparan sulfates exerts its effects on binding, uptake and subcellular localisation. Both HFL-1 and A549 cells were incubated with I-125- or rhodamine-labeled

Xylose fermentation by Saccharomyces cerevisiae requires the introduction of a xylose pathway, either similar to that found in the natural xylose-utilizing yeasts Pichia stipitis and Candida shehatae or similar to the bacterial pathway. The use of NAD(P)H-dependent XR and NAD(+)-dependent XDH from P. stipitis creates a cofactor imbalance resulting in xylitol formation. The effect of replacing the

We previously reported that matrix metalloproteinase (MMP)-10 mRNA levels were significantly lower in tumor tissues than in adjacent normal tissues in human non-small cell lung cancer (NSCLC), whereas protein levels of MMP-10 were higher in the tumor tissues than the adjacent tissues. The mechanism of this divergence is still unknown. In the present stud), the role of Janus kinase 2/signal transdu

Previous photorefractive results from harbour seals indicated the presence of a multifocal lens. This was surprising because the evolution of multifocal lenses has served to compensate for chromatic aberration in animals with colour vision, which harbour seals as monochromats should not be capable of. To gain insight into the lens optics of these animals, we extended our photorefractive measuremen

The acidic proteome of Lactococcus lactis grown anaerobically was compared for three different growth conditions: cells growing on maltose, resting cells metabolizing maltose, and cells growing on glucose. In maltose metabolizing cells several proteins were up-regulated compared with glucose metabolizing cells, however only some of the up-regulated proteins had apparent relation to maltose metabol

To use nutrition in order to limit the negative consequences of physical and mental stress is not new. Recent advances in immunology and particularly in the understanding of the chemical language used to communicate both by eukarytic and prokarotic cells has made it easier to objectively evaluate effects of various immunomodulating efforts including the use of nutrients, vitamins and antioxidants

Wrap-gate (111) InAs nanowires (NWs) were studied after HfO2 dielectric coating and Cr metallic deposition by a combination of grazing incidence x-ray techniques. In-plane and out-of-plane x-ray diffraction (crystal truncation rod analysis) allow determining the strain tensor. The longitudinal contraction, increasing with HfO2 and Cr deposition, is significantly larger than the radial dilatation.

A total of 1,794 migrating birds trapped at a coastal site in southern Sweden were sampled for detection of Campylobacter spp. All isolates phenotypically identified as Campylobacter jejuni and a subset of those identified as non-C. jejuni were identified to the species level by PCR-based techniques. C. jejuni was found in 5.0% of the birds, Campylobacter lari was found in 5.6%, and Campylobacter

Conduct disorder (CD) is a condition that describes an aggressive, antisocial and criminal individual with social maladjustment. A diagnostician must consider symptoms, time and function when making a diagnosis. The aim of the article is to provide a general outline of the CD diagnosis described in DSM, using three databases--Medline, PsycIFO and Social Sciences Citation. The diagnostic criteria g

Lactobacillus colonisation was examined in 112 Swedish infants. Faecal samples obtained at 1, 2,4 and 8 weeks and at 6, 12 and 18 months of age were cultivated quantitatively on Rogosa agar. Lactobacilli were speciated by PCR and typed to the strain level by randomly amplified polymorphic DNA (RAPD). Lactobacilli reached a peak at 6 months when 45% of the infants were colonised. L. rhamnosus and L

Rat dopamine D(2short) expressed in Chinese hamster ovary (CHO) cells were characterized by means of activation of [(35)S]-guanosine 5'-O-(gamma-thiotriphosphate) ([(35)S]GTPgammaS) binding and inhibition of [(3)H]raclopride binding. Among 18 dopaminergic ligands studied dopamine, NPA, apomorphine and quinpirole were full agonists in activation of [(35)S]GTPgammaS binding, while seven ligands were

Target factors aim at setting criteria to select foreign vessels that should be inspected by port state control authorities. Although a relative consensus exists on the main factors to consider in selecting vessels, the weight to be given to these factors is still unclear. Using data on 26 515 PSC inspections that took place within the Indian Ocean MoU region from 2002 to 2006, we investigate the

A novel truncated hemoglobin has been identified in the thermophilic bacterium Geobacillus stearothermophilus (Gs-trHb). The protein has been expressed in Escherichia coli, the 3D crystal structure (at 1.5 angstrom resolution) and the ligand binding properties have been determined. The distal heme pocket displays an array of hydrogen bonding donors to the iron-bound ligands, including Tyr-B10 on o