Proton exchange between titratable amino acid residues and the surrounding solution gives rise to exciting electric processes in proteins. We present a proton titration scheme for studying acid-base equilibria in Metropolis Monte Carlo simulations where salt is treated at the Debye-Huckel level. The method, rooted in the Kirkwood model of impenetrable spheres, is applied on the three milk proteins

Epidemiological studies indicate that dietary factors, such as coffee, may influence breast cancer and modulate hormone receptor status. The purpose of this translational study was to investigate how coffee may impact on breast cancer growth in relation to estrogen receptor-α (ER) status.

Purpose. Our objective was to evaluate the outcome of percutaneous transluminal angioplasty (PTA) and particularly rePTA in a failing arteriovenous fistula (AV-fistula). Are multiple redilations worthwhile? Patients and Methods. All 159 stenoses of AV fistulas that were treated with PTA, with or without stenting, during 2008 and 2009, were included. Occluded fistulas that were dilated after succes

Variations in mismatch repair (MMR) system genes are causative of Lynch syndrome and other cancers. Thousands of variants have been identified in MMR genes, but the clinical relevance is known for only a small proportion. Recently, the InSiGHT group classified 2,360 MMR variants into five classes. One-third of variants, majority of which is nonsynonymous variants, remain to be of uncertain clinica

Experimental and theoretical study of the 3d photoionization and subsequent Auger decay of initially neutral atomic germanium is presented. The features of the high-resolution photoelectron and Auger electron spectra are interpreted with the aid of multiconfiguration calculations. The binding energies and relative cross sections of the 3d ionized fine-structure states of Ge are given. The complete

The antioxidant quercetin was extracted from yellow onion waste and converted to its aglycone form by a combination of subcritical water extraction and enzymatic hydrolysis. The hydrolytic step was catalysed by a double residue (N221S, P342L) mutant of the thermostable beta-glucosidase (TnBgl1A), isolated from the thermophile Thermotoga neapolitana and cloned and produced in E. coli. The activity

Medical doctors constitute a profession which embraces trust from and accountability to society. This responsibility extends to all medical educational institutions. Social accountability of medical education means a willingness and ability to adjust to the needs of patients and health care systems both nationally and globally. But it also implies a responsibility to contribute to the development

2-(1-Naphthyl)-pyridine () possesses sp(2) C-H bonds in both the γ- and δ-positions and is therefore a suitable substrate for studying the cyclometallation selectivity with different reagents and conditions. Such selectivity studies are reported. Based on deuterium-exchange experiments it is concluded that cycloruthenation with RuCl2(p-cymene) dimer is reversible with kinetic and thermodynamic pre

We investigate in detail the optical anisotropy of absorption of linearly polarized light in InAs/GaSb quantum wells grown on GaSb along the [001] direction, which can be used as an active region of different laser structures. The energy level positions, the wave functions, the optical matrix elements, and the absorption coefficients are calculated using the eight-band k center dot p model and the

Using a direct imaging method, we experimentally investigate the reversal of magnetic islands in a bit-patterned media sample based on a pre-patterned substrate. Due to systematic variation of the island distances in the media, we are able to study the influence of the dipolar interaction on the switching-field distribution of the island ensemble. The experimental findings are explained by an anal

This comment on Larner's (2011) article deals with the political power of certain conceptualisations of neoliberalism and questions the Anglo-American ways of reading the history of neoliberalism. The inclusion of key moments of neoliberalisation and crisis outside the Anglo-American world would provide different readings of the processes of neoliberalisation. The ‘choice’ of crises matters for ou

Crayfish spermatophores are deposited on the body surface of the female during mating and remain there for a period of time before fertilization ensues. Post-mating changes in protein expression level in the noble crayfish Astacus astacus spermatophore were quantified. In-gel digestion and high resolution mass spectrometry were used for label-free protein quantification. One hundred twelve protein

Transition to adulthood for adolescents in general is a multifaceted process, and for adolescents with cerebral palsy (CP) it also involves transition from child- to adult-oriented support. CP entails a variety and combination of disabilities, which in association with external factors may make the transition to adult health services difficult. The aim of this study was to gain a deeper understand

Aphids are among the most severe invertebrate pests of crops and cause high economic losses. The control of aphids by natural enemies is an essential ecosystem service with high relevance to management strategies applied in agricultural plant production and horticulture. However, the current knowledge on the effectiveness of specialist and generalist predators in aphid control with respect to host

AIMS: Children with type 1 diabetes (T1D) risk and islet autoantibodies are recruited to a secondary prevention study. The aims were to determine metabolic control in relation to human leukocyte antigen (HLA) genetic risk and islet autoantibodies in prepubertal children. METHODS: In 47 healthy children with GADA and at least one additional islet autoantibody, intravenous glucose tolerance test (Iv

We have examined the geometric and electronic structures of iron phthalocyanine assemblies on a Cu(111) surface at different sub- to mono-layer coverages and the changes induced by thermal annealing at temperatures between 250 and 320 °C by scanning tunneling microscopy, x-ray photoelectron spectroscopy, and x-ray absorption spectroscopy. The symmetry breaking observed in scanning tunneling micros

It remains unknown whether human papillomaviruses (HPVs) or human herpesviruses (HHVs) in semen affect sperm DNA integrity. We investigated whether the presence of these viruses in semen was associated with an elevated sperm DNA fragmentation index. Semen from 76 sperm donors was examined by a PCR-based hybridization array that identifies all HHVs and 35 of the most common HPVs. Sperm DNA integrit

Due to variation in pH, ionizable pharmaceuticals entering aquatic environments experience different degrees of ionization, which may affect toxicity. Using data from toxicity testing at only neutral pH may potentially under- or overestimate actual toxicity at pH ranges found in natural aquatic environments. Here we show relative pH-dependent acute toxicity to Daphnia magna for the pharmaceutical