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This paper presents the coupled cluster/molecular mechanics (CC/MM) and self-consistent field/molecular mechanics (SCF/MM) approaches for wavefunctions, energies and response properties. Two physically different theories are derived, the mean-field and the direct-field interaction approaches, together with expressions for the optimization condition of both variational and non-variational wavefunct

Improving the survival rate and quality of life of patients with acute and chronic hepatic dysfunction still represents a challenge. Cell-based therapeutic hepatocyte transplantation has great potential to serve as a temporary support and “bridge” prior to a donor organ becoming available, or even as therapy for replacing a compromised liver. In this review we describe potential applications of hu

As part of a European research project (FOOD-PCR), we developed a standardized and robust PCR detection assay specific for the three most frequently reported food-borne pathogenic Campylobacter species, C. jejuni, C. coli, and C. lari. Fifteen published and unpublished PCR primers targeting the 16S rRNA gene were tested in all possible pairwise combinations, as well as two published primers target

Aims/hypothesis Post-translational modifications, such as isomerisation of native proteins, may create new antigenic epitopes and play a role in the development of the autoimmune response. Protein-L-isoaspartate (D-aspartate) O-methyltransferase (PIMT), encoded by the gene PCMT1, is an enzyme that recognises and repairs isomerised Asn and Asp residues in proteins. The aim of this study was to asse

A new control strategy has been introduced for operating anaerobic digestion processes efficiently at high load. The control system includes a cascade controller embedded into a rule-based supervisory system based on extremum-seeking control. Three process parameters, considered to be the most realistic variables for monitoring of the bioprocess, were selected (pH, biogas production rate, and the

Mitogenic effects of the extracellular nucleotides ATP and UTP are mediated by P2Y(1), P2Y(2), and P2Y(4) receptors. However, it has not been possible to examine the highly expressed UDP-sensitive P2Y(6) receptor because of the lack of stable, selective agonists. In rat aorta smooth muscle cells (vascular smooth muscle cells; VSMC), UDP and UTP stimulated (3)H-labeled thymidine incorporation with

Background: The relationship between plasma markers of inflammation and the incidence of chronic obstructive pulmonary disease (COPD) is still unclear. This population-based study explored whether raised levels of five inflammation-sensitive plasma proteins (ISPs) predicted hospital admissions for COPD during 25 years of follow-up. Methods: Spirometric tests and measurements of five ISPs (fibrinog

This article sets out to describe and explain the events that led, in the summer of 1967, to political chaos and near civil war in many parts of China. It links the violence on the ground to statements and policies formulated at the highest levels of the CCP and sets out to show how and why Mao Zedong himself must bear direct personal responsibility for what stands out as one of the darkest chapte

BACKGROUND: The purpose of this study was to analyze the impact of stent-graft design and operator skills on outcomes after endovascular abdominal aortic aneurysm repair. STUDY DESIGN: One hundred sixty-four patients (mean age 71 years) underwent stent-graft repair. Patients were treated with four different types of stent-graft: first-generation (n = 58) and second-generation (n = 17) Ivancev-Malm

A method is presented on how to quantify the moisture conditions of nuclear concrete containment walls. The method is based on first quantifying the boundary conditions at the outer and inner surfaces and then describing the moisture fixation and moisture transport within the concrete wall. The temperature and humidity conditions of the outdoor air and of the air close to the wall surfaces are mon

A gas turbine power process with CO2 capture through precombustion decarbonization, which employs a H-2-separating membrane reactor is presented. Optimization with the process thermal efficiency as objective function is made through the use of genetic algorithms. The use of genetic algorithms enabled a division of the optimization parameters into two groups; one group where the values are at their

The detection of contamination such as salt in outdoor high-voltage insulator systems and its subsequent removal are vital for a reliable transmission of electric power. Remote detection of salt on a copper metal surface was carried out by using a mobile laser-induced breakdown spectroscopy (LIBS) Lidar system with a laser wavelength of 355 nm. Detection of salt on a polymeric high-voltage insulat

A rapid and sensitive liquid chromatographic-tandem mass spectrometric (LC-MS/MS) method was developed and validated for the qualitative and quantitative assay of cyproheptadine (CP) in pharmaceutical samples. Diphenylpyraline hydrochloride (DPP) was used as an internal standard (IS). Two multiple reaction-monitoring (MRM) transitions for each analyte were observed: 288.1/96.1 and 288.1/191.2 for

In an attempt to define the clinical utility of immunoglobulin heavy chain (IgH) gene rearrangement identification for tumour cell detection in multiple myeloma, we investigated 36 consecutive newly diagnosed patients intended for high-dose chemotherapy in a study protocol. After identification of the IgH rearrangement, an allele specific oligonucleotide (ASO) was constructed and used in a semiqua

Attempts of Magain et al. to detect the host galaxy of the bright quasi-stellar object (QSO) HE0450-2958 have not been successful. We suggest that the supermassive black hole (SMBH) powering the QSO was ejected from the observed ultraluminous infrared galaxy (ULIRG) at the same redshift and at 1.5 arcsec distance. Ejection could have been caused either by recoil due to gravitational wave emission

The human ribosomal protein S19 gene (RPS19) is mutated in approximately 20% of patients with Diamond-Black fan anemia (DBA), a congenital disease with a specific defect in erythropoiesis. The clinical expression of DBA is highly variable, and subclinical phenotypes may be revealed by elevated erythrocyte deaminase (eADA) activity only. In mice, complete loss of Rps19 results in early embryonic le

Aim: To study the effects of alcohol and coping intervention among University students who have parents with alcohol problems. Methods: A total of 82 university students (56 women and 22 men, average age 25) with at least one parent with alcohol problems were included. The students were randomly assigned to one of three programs: (i) alcohol intervention program, (ii) coping intervention program,

Dactylorhiza traunsteineri is an allotetraploid species that belongs to the large Dactylorhiza incarnata/maculata polyploid complex of the Eurasian genus Dactylorhiza (Orchidaceae). Here, eight polymorphic microsatellite loci were isolated using selective hybridization according to the FIASCO protocol (fast isolation by AFLP of sequences containing repeats) with slight modifications. The number of