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Energetic Factors (energetic + factor)

Distribution by Scientific Domains

Life Sciences	75%

Selected Abstracts

Protein folding simulations: From coarse-grained model to all-atom model

IUBMB LIFE, Issue 6 2009
Jian Zhang
Abstract Protein folding is an important and challenging problem in molecular biology. During the last two decades, molecular dynamics (MD) simulation has proved to be a paramount tool and was widely used to study protein structures, folding kinetics and thermodynamics, and structure,stability,function relationship. It was also used to help engineering and designing new proteins, and to answer even more general questions such as the minimal number of amino acid or the evolution principle of protein families. Nowadays, the MD simulation is still undergoing rapid developments. The first trend is to toward developing new coarse-grained models and studying larger and more complex molecular systems such as protein,protein complex and their assembling process, amyloid related aggregations, and structure and motion of chaperons, motors, channels and virus capsides; the second trend is toward building high resolution models and explore more detailed and accurate pictures of protein folding and the associated processes, such as the coordination bond or disulfide bond involved folding, the polarization, charge transfer and protonate/deprotonate process involved in metal coupled folding, and the ion permeation and its coupling with the kinetics of channels. On these new territories, MD simulations have given many promising results and will continue to offer exciting views. Here, we review several new subjects investigated by using MD simulations as well as the corresponding developments of appropriate protein models. These include but are not limited to the attempt to go beyond the topology based G,-like model and characterize the energetic factors in protein structures and dynamics, the study of the thermodynamics and kinetics of disulfide bond involved protein folding, the modeling of the interactions between chaperonin and the encapsulated protein and the protein folding under this circumstance, the effort to clarify the important yet still elusive folding mechanism of protein BBL, the development of discrete MD and its application in studying the ,,, conformational conversion and oligomer assembling process, and the modeling of metal ion involved protein folding. © 2009 IUBMB IUBMB Life, 61(6): 627,643, 2009 [source]

Neandertal cold adaptation: Physiological and energetic factors

AMERICAN JOURNAL OF HUMAN BIOLOGY, Issue 5 2002
A. Theodore Steegmann Jr.
European Neandertals employed a complex set of physiological cold defenses, homologous to those seen in contemporary humans and nonhuman primates. While Neandertal morphological patterns, such as foreshortened extremities and low relative surface-area, may have explained some of the variance in cold resistance, it is suggested the adaptive package was strongly dependent on a rich array of physiological defenses. A summary of the environmental cold conditions in which the Neandertals lived is presented, and a comparative ethnographic model from Tierra del Fuego is used. Muscle and subcutaneous fat are excellent "passive" insulators. Neandertals were quite muscular, but it is unlikely that they could maintain enough superficial body fat to offer much cold protection. A major, high-energy metabolic adaptation facilitated by modest amounts of highly thermogenic brown adipose tissue (BAT) is proposed. In addition, Neandertals would have been protected by general mammalian cold defenses based on systemic vasoconstriction and intensified by acclimatization, aerobic fitness, and localized cold-induced vasodilation. However, these defenses are energetically expensive. Based on contemporary data from circumpolar peoples, it is estimated that Neandertals required 3,360 to 4,480 kcal per day to support strenuous winter foraging and cold resistance costs. Several specific genetic cold adaptations are also proposed,heat shock protein (actually, stress shock protein), an ACP*1 locus somatic growth factor, and a specialized calcium metabolism not as yet understood. Am. J. Hum. Biol. 14:566,583, 2002. © 2002 Wiley-Liss, Inc. [source]

Thermodynamic characterization of hybrid polymer blend systems

POLYMER ENGINEERING & SCIENCE, Issue 6 2009
Amos Ophir
A thermodynamic model was used to predict the morphology of hybrid multicomponent polymer blend systems. Two systems were studied, both including two noncompatible polymers, a third compatibilizer polymer and layered, organo-treated clays. The polar and nonpolar contributions of the surface energies of the components of the systems were calculated using measurements of the contact angles. The morphology of the multicomponent systems and the relative position of the organo-clays within them, were predicted by calculating the interaction energies between the different components of the system and evaluating these values according to the Vaia and Giannelis thermodynamic model for polymer melt intercalation in organically modified layered silicates. The experimental results show good correlation with the prediction that the organo-clays will have higher affinity to the compatibilizer polymer component situated at the interface between the two noncompatible blend components. In addition, the presence of the organo-clays in this interface was found to have a significant additional compatibilizing effect between the two polymer phases. The results presented in this work support the idea that hybrid formation via polymer melt intercalation depends mostly on energetic factors that can be determined from surface energies of polymers and organo-modified layered silicates, also in the case of multiphase polymer system. POLYM. ENG. SCI., 2009. © 2009 Society of Plastics Engineers [source]

Testosterone and energetics in wild chimpanzees (Pan troglodytes schweinfurthii)

AMERICAN JOURNAL OF PRIMATOLOGY, Issue 2 2005
Martin N. Muller
Abstract Ovarian function in female hominoids is sensitive to both energy flux and energy balance, resulting in a reduced probability of conception during periods when a successful reproductive outcome is less likely. However, the extent to which energetic factors constrain gonadal function in male hominoids is not clear. We examined the effects of both acute and chronic variation in energy availability on urinary testosterone (T) levels in adult male chimpanzees. Acute changes in energy availability, which were assayed by means of observational data on feeding behavior, did not result in decreased T production for 11 individuals at Kibale National Park, Uganda. Chronic energy shortages, on the other hand, may be associated with lower T levels in this population. Adult males in Kibale (n=11), who maintain suboptimal access to energy, exhibit significantly lower urinary T levels than males in captivity (n=11), who are more sedentary and better fed. These results suggest that data on hormonal function in captive chimpanzees should be interpreted with caution because individuals may produce T at levels well above those that are typical in the wild. They also suggest that short-term variations in T levels in male hominoids are more likely to be explained by social factors than by energetic ones. Am. J. Primatol. 66:119,130, 2005. © 2005 Wiley-Liss, Inc. [source]