Coarse-grained, self-contained polymer models are powerful tools in the study of protein folding. They are also essential to assess predictions from less rigorous theoretical approaches that lack an explicit-chain representation. Here we review advances in coarse-grained modeling of cooperative protein folding, noting in particular that the Levinthal paradox was raised in response to the experimen

Background/Objectives:The degree of misclassification of obesity and undernutrition among elders owing to inaccurate height measurements is investigated using height predicted by knee height (KH) and demispan equations.Subjects/Methods:Cross-sectional investigation was done among a random heterogeneous sample from five municipalities in Southern Sweden from a general population study 'Good Aging i

Here we present a new geomorphological map of the active drumlin field and the forefield of Millajokull, a surgetype outlet glacier, Iceland. The map is based on aerial photographs taken in 1995 and LiDAR data recorded in 2008. Mapping was done using ArcGIS 10 software on orthorectified imagery, LiDAR data and digital elevation models. The mapped landforms were initially identified on the aerial i

Time series of satellite sensor-derived data can be used in the light use efficiency (LUE) model for gross primary productivity (GPP). The LUE model and a closely related linear regression model were studied at an ombrotrophic peatland in southern Sweden. Eddy covariance and chamber GPP, incoming and reflected photosynthetic photon flux density (PPFD), field-measured spectral reflectance, and data

We have studied the transferability of atomic charges for proteins, fitted to the quantum mechanical electrostatic potential and extensively averaged over a set of structures sampled by molecular dynamics (MD) and over all residues of the same kind in the protein sequence (xAvESP). Previously, such charges were obtained for one single protein (avidin). In this study, we use five additional protein

Consider a regular d-dimensional metric tree Gamma with root o. Define the Schrodinger operator -Delta -V, where V is a non-negative, symmetric potential, on Gamma. with Neumann boundary conditions at o. Provided that V decays like |x|(-gamma) at infinity, where 1

Dementia has been associated with an increased risk of fractures. These associations may be explained by an impaired cognitive function, as well as comorbid illness and toxic reaction from drugs. To investigate whether cognitive function in young, healthy individuals already affects the risk of fractures, overall cognitive function scores were calculated from four cognitive tests accomplished duri

Inhaled therapies are central to the treatment of asthma and chronic obstructive pulmonary disease. Physicians consider many factors when selecting the most appropriate inhaler device, including device efficacy and the cost to the health care system. This review aims to discuss the factors that are important when considering inhaler devices and the importance of continuity in the choice of inhaler

Coulomb-excitation experiments to study electromagnetic properties of radioactive even-even Hg isotopes were performed with 2.85 MeV/nucleon mercury beams from REX-ISOLDE. Magnitudes and relative signs of the reduced E2 matrix elements that couple the ground state and low-lying excited states in Hg182-188 were extracted. Information on the deformation of the ground and the first excited 0+ states

Particles in the atmosphere are of concern due to their toxic properties and effects on climate. In coastal areas, ship emissions can be a significant anthropogenic source. In this study we investigated the contribution from ship emissions to the total particle number and mass concentrations at a remote location. We studied the particle number concentration (12 to 490 nm in diameter), the mass con

Mortality and morbidity have remained high in bacterial meningitis. Impairment of cerebral energy metabolism probably contributes to unfavorable outcome. Intracerebral microdialysis is routinely used to monitor cerebral energy metabolism, and recent experimental studies indicate that this technique may separate ischemia and non-ischemic mitochondrial dysfunction. The present study is a retrospecti

Three copper(II) complexes, [Cu(L-1)(H2O)(ClO4)]0.5H(2)O (1), [Cu(L-2)(H2O)(ClO4)]0.5H(2)O (2), and [Cu(L-2)(NCNC(OCH3)NH2)]ClO4 (3), where HL1=4-bromo-2-(-(quinolin-8-ylimino)methyl)phenol and HL2=1-(-(quinolin-8-ylimino)methyl)naphthalen-2-ol, have been prepared and characterized by elemental analysis, IR, UV-vis and fluorescence spectroscopy and single-crystal X-ray diffraction studies. The cop

Flavoenzymes have been extensively studied for their structural and mechanistic properties because they find potential application as industrial biocatalysts. They are attractive for biocatalysis because of the selectivity, controllability and efficiency of their reactions. Some of these enzymes catalyse the oxidative modification of protein substrates. Among them oxygenases (monoxoygenases and di

BACKGROUND: Rheumatoid arthritis (RA), psoriatic arthritis (PsA), and other spondylarthritides (SpA) impose great impact on the individual in addition to the costs on society, which may be reduced by effective pharmacological treatment. Industry independent health economic studies should complement studies sponsored by industry. OBJECTIVE: To study secular trends in baseline health utilities in pa

Post-translational modifications of proteins significantly affect their structure and function. The carbamylation of positively charged lysine residues to form neutral homoitrulline occurs primarily under inflammatory conditions through myeloperoxidase-dependent cyanate (CNO-) formation. We analyzed the pattern of human IgG(1) carbamylation under inflammatory conditions and the effects that this m