The adsorption of perylene derivatives on the rutile TiO2(110) surface was studied by quantum-chemical periodic calculations employing the hybrid HF-DFT functional B3LYP. The perylene molecule, which is a possible constituent of dyes in dye-sensitized solar cells, was functionalized by attachment of phosphonic acid or carboxylic acid groups to permit anchoring to the metal oxide surface. The ancho

Aberrant expression of several key regulators controlling the G1/S phase of the cell cycle has been implicated in human male germ cell tumorigenesis. Given the critical role of cyclin A2 at both the G1/S and G2/M transitions and the essential role for cyclin A1 in male germ cell development, our present study focused on the involvement of the A-type cyclins in the transformation and progression of

Theoretical investigations of hyperfine quenching of the two metastable levels 1s(2)2s2p P-3(0) and P-3(2) have been performed along the Be-like isoelectronic sequence for ions between Z=6-22. It is shown that the lifetime of the latter level is sensitive to hyperfine quenching in the beginning of the isoelectronic sequence, but the sensitivity decreases towards the high-Z end. It is also shown th

The research aimed towards the adaptation of molecularly imprinted polymers (MIPs) to the capillary format and the use of these highly selective matrices for capillary electrochromatography (CEC) is reviewed in this article. The MIP is prepared by incorporation of a template molecule into a polymerization protocol. After polymerization and extraction of the template from the resulting polymer a hi

A rigorous numerical test of a hypothetical mechanism of a molecular motor should model explicitly the diffusive motion of the motor's degrees of freedom as well as the transition rates between the motor's chemical states. We present such a Brownian dynamics, mechanochemcial model of the coarse-grain structure of the dimeric, linear motor myosin V. Compared with run-length data, our model provides

Aims: To explore the incidence, severity, time course, and risk factors of clinically significant hyponatremia in desmopressin treatment for nocturia. Methods: Data from three multi-center phase 111 trials were pooled. Hyponatremia was categorised as borderline (134-130 mmol/L) or significant (= 65 years of age) with a baseline serum sodium concentration below normal range were at high risk (75%).

We study theoretically the effect of inter-habitat migration on the distribution of population sizes between two habitats, and compare this distribution with the expected ideal free distribution (IFD). Whenever emigration from the two habitats is asymmetric, or when there is a survival cost during migration, the resulting equilibrium distribution of population sizes deviates from the IFD. This res

Laser techniques were applied to an acoustically levitated droplet for remote investigation of the diameter, species concentration and temperature of the suspended droplet. To this end, the third and the fourth harmonic of a Nd:YAG laser were used for investigation of elastic, fluorescence and phosphorescence signals from the droplet. The droplet was seeded with thermographic phosphors and acetone

We study the operation of a gated resonant tunnel diode placed in an oscillator tank circuit for application as a pulse generator. The gated diode is realized by a metal gate placed 30nm away from a resonant tunnelling double barrier heterostructure, where the gate is used to control the current of the tunnelling diode. A large signal model is developed for the gated resonant tunnelling diode and

The aim of this study was to investigate the possible associations between working technique, sex, symptoms and level of physical load in VDU-work. A study group of 32 employees in the editing department of a daily newspaper answered a questionnaire, about physical working conditions and symptoms from the neck and the upper extremities. Muscular load, wrist positions and computer mouse forces were

Objectives To study the prevalence and incidence of elevated liver enzymes and their relationship with body weight, metabolic factors and other diseases in Turner syndrome (TS). Design Five-year follow-up. Patients Women with TS (n = 218, mean age 33 +/- 13, range 16-71 years) from outpatient clinics at university hospitals in Sweden. Measurements Fasting blood samples for aspartate (AST) and alan

In this article we describe simulations of the hadronic decay of Higgs bosons produced in association with vector bosons at linear and hadronic colliders. We use the Monte Carlo at next-to-leading-order (MC@NLO) matching prescription with the Herwig++ event generator to predict various spectra of the resulting b (b) over bar pairs and compare our results with leading order and matrix element corre

In this work we present a comprehensive study of analytical electric field gradients in hydrogen halides calculated within the high-order Douglas-Kroll-Hess (DKH) scalar-relativistic approach taking picture-change effects analytically into account. We demonstrate the technical feasibility and reliability of a high-order DKH unitary transformation for the property integrals. The convergence behavio

Background: Electrocardiogram-derived grades of ischemia at the time of patient presentation with acute myocardial infarction have proved useful in predicting the salvageability by reperfusion therapy, final infarct size, severity of left ventricular dysfunction, and short- and long-term prognosis. Subjects and Methods: The Sclarovsky-Birnbaum Ischemia Grading System based on the relation between

The spermine analogue N(1),N(11)-diethylnorspermine (DENSPM) efficiently depletes the polyamine pools in the breast cancer cell line L56Br-C1 and induces apoptotic cell death via the mitochondrial pathway. In this study, we have over-expressed the anti-apoptotic protein Bcl-2 in L56Br-C1 cells and investigated the effect of DENSPM treatment. DENSPM-induced cell death was significantly reduced in B

Life-history theory predicts that increased current reproductive effort should lead to a fitness cost. This cost of reproduction may be observed as reduced survival or future reproduction, and may be caused by temporal suppression of immune function in stressed or hard-working individuals. In birds, consideration of the costs of incubating eggs has largely been neglected in favour of the costs of

Background: The electrocardiographic (ECG) diagnosis of acute myocardial infarction (MI) should be improved. This might be done either by regarding all 24 aspects (both positive and negative leads), or a subset hereof (e.g. 19-lead ECG), of the conventional 12-lead ECG or by using additional electrodes. The purpose of this study was to investigate the accuracy of the different ECG methods in diagn

Hesitation disfluencies after phonetically prominent stranded function words are thought to reflect the cognitive coding of complex structures. Speech fragments following the Swedish function word att ‘that’ were analyzed syntactically, and divided into two groups: one with att in disfluent contexts, and the other with att in fluent contexts. Complexity was calculated in terms of a number of measu

Neuroblastoma and ganglioneuroma are neuroblastic tumors originating from the developing sympathetic peripheral nervous system. Ganglioneuromas are usually benign, while neuroblastomas have a variable prognosis and include very aggressive tumors. Examples exist of neuroblastomas regressing to ganglioneuromas and ganglioneuromas progressing to neuroblastomas. Little is known of the molecular differ