Fold and flexibility: what can proteins' mechanical properties tell us about their folding nucleus?

The determination of a protein''s folding nucleus, i.e. a set of native contacts playing an important role during its folding process, remains an elusive yet essential problem in biochemistry. In this work, we investigate the mechanical properties of 70 protein structures belonging to 14 protein families presenting various folds using coarse-grain Brownian dynamics simulations. The resulting rigidity profiles combined with multiple sequence alignments show that a limited set of rigid residues, which we call the consensus nucleus, occupy conserved positions along the protein sequence. These residues'' side chains form a tight interaction network within the protein''s core, thus making our consensus nuclei potential folding nuclei. A review of experimental and theoretical literature shows that most (above 80%) of these residues were indeed identified as folding nucleus member in earlier studies.     

Transgenerational effects of the holocaust: Externalization of aggression in second generation of holocaust survivors.

Examined the psychological characteristics of the children of holocaust survivors. 38 males and females in their late 20's were interviewed; the parents of 19 Ss were holocaust survivors, and the parents of the other 19 Ss were in Israel during World War II and did not suffer directly. It was hypothesized that reactions of the children of the holocaust survivors would include guilt rather than external aggression and a tendency not to externalize aggressive impulses in reaction to frustrating events. The Ss' reactions to a projective test were analyzed, and the responses provide support for the major hypothesis. Results show that sons and daughters of holocaust survivors were less likely to externalize aggression than were those in a control group. This finding is supported by the content analysis of the structured interview conducted with the Ss in both groups. (20 ref) (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Interaction of free-surface waves with floating flexible strips

The method developed by the author to derive a set of algebaic equations to solve the interaction of free-surface waves with a single floating rigid or flexible two-dimensional platform with small draft is extended to the case that the platform consists of strips with different constant flexural rigidity and mass. The method is based on the application of Green's theorem, with a specific choice of the Green function to arrive at a differential-integral equation along the platform. This equation can be solved exactly by means of superposition of exponential functions, a standard method to solve a set of linear differential equations. After integration with respect to the space coordinate the residue theorem leads to both the dispersion relation along each individual strip and an algebraic equation for the coefficients. Due to very fast convergence with respect to the number of coefficients taken into account the series are truncated. Depending on the water-depth, in each series three to ten terms are taken into account. Results are shown for a structure consisting of several strips that are tightly connected and for disjoint strips. In the latter case the computation of the water level between the strips is also computed. The water level and the reflection and transmission coefficients are not unknowns in the algebraic equation, but are computed afterwards by means of Green's theorem.     

Slowly moving hull forms in short waves

The purpose of this paper is to provide a mathematical tool to improve the optimal design of ship forms. It is common practice that hull forms are designed such that they have minimum wave resistance in calm water. In this paper a theory is described by which the effect of short waves may be incorporated.The basic tool we use is the ray theory. First, the appropriate free-surface condition is shown. Then, the standard ray method, well-known in geometric optics, is formulated in the fluid region and at the free surface. After an elimination process the eiconal equation and the transport equation are obtained. The characteristic equation for the nonlinear eiconal equation is derived, keeping in mind that the characteristics are not perpendicular to the wave fronts, due to the effect of the double-body potential due to the forward speed of the ship, which is assumed to be a good approximation for the steady potential.Numerical computations are carried out by means of the RK4 method to obtain the ray pattern. After some manipulations the amplitude may be computed just as well. Finally, the nonlinear added-resistance force is calculated. Pictures of ray patterns for several angles of incidence are shown. Also the forces are shown.     

Hydrogen peroxide in exhaled air is increased in stable asthmatic children

Exhaled air condensate provides a noninvasive means of obtaining samples from the lower respiratory tract. Hydrogen peroxide (H2O2) in exhaled air has been proposed as a marker of airway inflammation. We hypothesized that in stable asthmatic children the H2O2 concentration in exhaled air condensate may be elevated as a result of airway inflammation. In a cross-sectional study, 66 allergic asthmatic children (of whom, 41 were treated with inhaled steroids) and 21 healthy controls exhaled through a cold trap. The resulting condensate was examined fluorimetrically for the presence of H2O2. All subjects were clinically stable, nonsmokers, without infection. The median H2O2 level in the exhaled air condensate of the asthmatic patients was significantly higher than in healthy controls (0.60 and 0.15 micromol, respectively; p<0.05), largely because of high values in the stable asthmatic children who did not use anti-inflammatory treatment (0.8 micromol; p<0.01 compared to controls). We conclude that hydrogen peroxide is elevated in exhaled air condensate of children with stable asthma, and may reflect airway inflammation.     

Long-term results after allogeneic bone marrow transplantation for chronic myelogenous leukemia in chronic phase: a report from the Chronic Leukemia Working Party of the European Group for Blood and Marrow Transplantation

The purpose of this study was to determine the long-term results of allogeneic bone marrow transplantation for chronic myeloid leukemia. A retrospective analysis was carried out of the outcome of 373 consecutive transplants performed at 38 European institutions between 1980 and 1988 and reported to the registry of the European Group for Blood and Marrow Transplantation. All transplants were carried out for first chronic phase of chronic myelogenous leukemia using unmanipulated marow cells from HLA-identical sibling donors. The probability of survival and leukemia-free survival at 8 years were 54% (95% CI: 49-59) and 47% (95% CI: 41-52) respectively. The probabilities of developing acute GVHD (II-IV) at 100 days and chronic GVHD at 4 years after transplant were 47% (95% CI: 41-53) and 52% (95% CI: 46-58) respectively. The probabilities of transplant-related mortality and leukemic relapse 8 years after BMT were 41% (95% CI: 36-48) and 19% (95% CI: 14-25), respectively. Transplant within 12 months of diagnosis was associated with reduced transplant-related mortality (34 vs 45%, P = 0.013) and resulted in improved leukemia-free survival (52 vs 44%, P = 0.03). The probability of relapse was significantly reduced in patients who developed chronic GVHD (RR = 0.33, P = 0.004). The probability of relapse occurring more than 2 years after transplant was increased more than five-fold in patients transplanted from a male donor (RR = 5.5, P = 0.006). Sixty-seven patients in hematologic remission were studied for residual disease by two-step RT/PCR for BCR-ABL mRNA and 61 (91%) tested negative. We conclude that bone marrow transplantation can induce long-term survival in approximately one-half of CML patients; the majority of survivors have no evidence of residual leukemia cells when studied by molecular techniques. The probability of late relapse is increased with use of a male donor.     

Autoxidation of Hydrocarbons: From Chemistry to Catalysis

This contribution summarizes our recent efforts to unravel the radical chemistry of autoxidations. Abstraction of the weakly bonded αH-atom of the primary hydroperoxide product by chain carrying peroxyl radicals is identified as the source of major end products such as alcohol and ketone/aldehyde. In the case of cyclohexane autoxidation, this reaction is even responsible for the majority of ring-opened by-products. In a second part, different approaches to autoxidation catalysis are discussed, ranging from transition metal ion catalysis to organocatalysis with immobilized N-hydroxyphthalimide.     

Water absorption properties of phosphate glass fiber‐reinforced poly‐ϵ‐caprolactone composites for craniofacial bone repair

The moisture uptake of polymers and composites has increasing significance where these materials are specified for invasive, long‐term medical applications. Here we analyze mass gain and the ensuing degradation mechanisms in phosphate glass fiber reinforced poly‐?‐caprolactone laminates. Specimens were manufactured using in situ polymerization of ?‐caprolactone around a bed of phosphate glass fibers. The latter were sized with 3‐aminopropyltriethoxysilane to control the rate of modulus degradation. Fiber content was the main variable in the study, and it was found that the moisture diffusion coefficient increased significantly with increasing fiber volume fraction. Diffusion, plasticization, and leaching of constituents appear to be the dominant aspects of the process over these short‐term tests. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2008