Protein dynamics play a crucial role in function, catalytic activity, and pathogenesis. Consequently, there is great interest in computational methods that probe the conformational fluctuations of a protein. However, molecular dynamics simulations are computationally costly and therefore are often limited to comparatively short timescales. TYPHON is a probabilistic method to explore the conformati

Thermoresponsive polymer layers on silica surfaces have been obtained by utilizing electrostatically driven adsorption of a cationic-nonionic diblock copolymer. The cationic block provides strong anchoring to the surface for the nonionic block of poly(2-isopropyl-2-oxazoline), referred to as PIPOZ. The PIPOZ chain interacts favorably with water at low temperatures, but above 46 degrees C aqueous s

Ultrafast optical spectroscopy techniques are often employed to gain information about samples that are liquid at room temperature and frozen at cryogenic temperatures. However, the measurements suffer from the presence of unwanted, non-resonant signals originating in the sample cell walls. Most of these artifacts can be avoided in the measurements performed at room temperature by using liquid jet

I911-SAXS is the new SAXS (Small-Angle-X-ray-Scattering) beamline at the MAX IV Laboratory in Lund, Sweden. It is one of the 5 stations of the hard X-ray Cassiopeia beamline (I911) at the 1.5 GeV ring MAX II. I911-4 was converted into a multipurpose SAXS station which opened to the scientific community in May 2011. The SAXS users community at this laboratory comes from diverse fields of research w

The principle of virtual power and its equivalence to the Euler laws expressing the global balance of momentum and moment of momentum is demonstrated. The demonstration includes bodies subjected to jump discontinuities (shocks) and external and internal constraints.

Purpose: To estimate inter-observer agreement with regard to describing adnexal masses using the International Ovarian Tumor Analysis (IOTA) terminology and the risk of malignancy calculated using IOTA logistic regression models LR1 and LR2, and to elucidate what explained the largest inter-observer differences in calculated risk of malignancy. Experimental Design: 117 women with adnexal masses we

The sensorimotor synchronization paradigm is used when studying the coordination of rhythmic motor responses with a pacing stimulus and is an important paradigm in the study of human timing and time perception. Two measures of performance frequently calculated using sensorimotor synchronization data are the average offset and variability of the stimulus-to-response asynchronies-the offsets between

Although methylenetetrahydrofolate reductase, a folate enzyme gene, has been associated with idiopathic male infertility, few studies have examined other folate-related metabolites and genes. We investigated whether idiopathic male infertility is associated with variants in folate, vitamin B-12 (B12) and total homocysteine (tHcy)-related genes and measured these metabolites in blood. We conducted

The relaxation dynamics of an ionized/excited molecular system leads to different fundamental processes occurring at sub-femtosecond timescales. Time-resolved XUV-pump XUV-probe experiments should allow deeper insight to the key roles of these processes. Such studies should be feasible soon thanks to experimental schemes similar to those at the high-intensity high-order harmonic generation beamlin

Background: Physical activity (PA) is considered a cornerstone of diabetes mellitus management to prevent complications, but conclusive evidence is lacking. Methods: This prospective cohort study and meta-analysis of existing studies investigated the association between PA and mortality in individuals with diabetes. In the EPIC study (European Prospective Investigation Into Cancer and Nutrition),

Inhibition of host-encoded targets, such as the cyclophilins, provides an opportunity to generate potent high barrier to resistance antivirals for the treatment of a broad range of viral diseases. However, many host-targeted agents are natural products, which can be difficult to optimize using synthetic chemistry alone. We describe the orthogonal combination of bioengineering and semisynthetic che

Aim: To determine the prevalence and types of intrapartum cardiotocography (CTG) patterns and investigate their relationship to moderate acidemia in term fetuses of diabetic mothers. Also, to assess if the combination of fetal electrocardiogram (FECG) and those CTG patterns strengthens the association with moderate acidemia. Material and methods: The material for this study is obtained from the Sw

Personality changes, psychiatric disturbances and cognitive abnormalities frequently characterise the prodromal phase in Huntington's disease (HD), a devastating monogenic neurodegenerative disorder manifesting with abnormal motor movements and early death. Selective loss of medium-sized spiny striatal neurons has been related to the onset of motor symptoms but it does not completely explain the p

composition of the first water layer on the stoichiometric rutile TiO2 (1 1 0) surface was studied with the use of synchrotron radiation photoelectron spectroscopy. The same H2O-OH balance was reached using different preparation procedures and there was no difference between H2O and D2O. On this basis, we rule out the possibility that the partially dissociated layer is an artifact caused by photon

The increasing number of bacterial genomes in combination with reproducible quantitative proteome measurements provides new opportunities to explore how genetic differences modulate proteome composition and virulence. It is challenging to combine genome and proteome data as the underlying genome influences the proteome. We present a strategy to facilitate the integration of genome data from severa