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At least 253 records · Page 14Linked to original sources
PubMed2005

Analyzing different parameters of steered molecular dynamics for small membrane interacting molecules.

The aim of this report is two-fold: First, to show the applicability of the Steered Molecular Dynamics (SMD) methodology for analyzing non-specific interactions governing the membrane affinity process of small biological molecules. Second, to point out a correlation between the system response and certain combinations of the SMD parameters (spring-elastic-constant and pulling-group). For these purposes, a simplified membrane model was used, modeled as a non-polar region limited by two polar aqueous media in a continuous dielectric representation. Polarization-induced effects at both interfaces were taken into account by the "electrostatic images" method. To perform SMD simulations a harmonic external force, representing a spring acting on a selected atom, forces the molecule to "break" its interaction with the surrounding environment by extracting it out of the membrane. With this approach, small molecules and peptides, with known affinity for the membrane environment, were studied: the zwitterionic tryptophan residue and a pentapeptide AcWLKLL. The SMD parameters, spring-elastic-constant and pulling-group, were varied and combined in order to analyze the systems responses in each case. It was observed that, the spring stiffness was crucial to reveal specific events that occur during the molecule behavior; hence, it was directly responsible for the sensitivity of this methodology. The pulling-group selected highly influenced on the reaction pathway, a fact that it was not observed with other parameters; consequently, force profiles are like the "fingerprints" of these induced pathways. The potential profile for the tryptophan was recovered from the SMD simulations being in good agreement with that estimated by an approximation method. With this rather simple model approach, SMD methodology has proven to be suitable for revealing the main interactions that govern the membrane affinity processes of small molecules and peptides.

Cell Membrane↗
PubMed1976

Structure in the polar head region of phospholipid bilayers: A 31P [1H] nuclear Overhauser effect study.

The structure of the head-group region of some phospholipid bilayers in vesicle form has been studied and an intermolecular association of the N-methyl protons of phosphatidylcholine (PC) with the phosphate of phosphatidylethanolamine (PE) in mixed vesicles has been identified. Observation of a 31P[1H] nuclear Overhauser effect (NOE) in the phosphorus nuclear magnetic resonances of both PC and PE in mixed vesicles demonstrates an intimate dipolar interaction between some protons and the phosphorus nuclei. Substitution of deuterium for the N-methyl protons of PC eliminated the majority of the effect and necessitated the construction of a model of the bilayer surface in which the N-methyl protons of PC could interact closely with the phosphates of neighboring PE molecules. The predominant orientation of the head group must then be parallel to the bilayer surface. The amino protons of PE do not contribute significantly to the observed NOE. A corollary of these results is that there is little if any tendency for either PC or PE in the mixed vesicles to segregate into separate domains. A decrease in NOE in sphingomyelin vesicles on going from H2O to D2O suggests that an exchangeable proton contributes to the NOE. In addition the low value of the NOE observed in D2O suggests that the head-group conformation of sphingomyelin differs from that of PC.

Binding Sites↗
PubMed1996

Mechanism of cyanoacetylene photochemistry at 185 and 254 nm.

The role of cyanoacetylene (HC3N) in the atmospheric photochemistry of Titan and its relevance to polymer formation are discussed. Investigation of the relative light absorption of HC3N, acetylene (C2H2), and diacetylene (C4H2) revealed that HC3N is an important absorber of UV light in the 205- to 225-nanometer wavelength region in Titan's polar regions. Laboratory studies established that photolysis of C2H2 initiates the polymerization of HC3N even though the HC3N is not absorbing the UV light. Quantum yield measurements establish that HC3N is 2-5 times as reactive as C2H2 for polymer formation. Photolysis of HC3N with 185-nanometer light in the presence of N2, H2, Ar, or CF4 results in a decrease in the yield of 1,3,5-tricyanobenzene (1,3,5-tcb), while photolysis in the presence of CH4, C2H6, or n-C4H10 results in an increase in 1,3,5-tcb. The rate of loss of HC3N is increased by all gases except H2, where it is unchanged. It was not possible to detect 1,3,5-tcb as a photoproduct when the partial pressure of HC3N was decreased to 1 torr. Photolysis of HC3N with 254-nanometer light in the presence of H2 or N2 results in the formation of 1,2,4-tcb, while photolysis in the presence of CH4, C2H6, or n-C4H10 results in the formation of increasing amounts of 1,3,5-tcb. Mechanisms for the formation of polymers are presented.

Acetylene↗
PubMed1989

Conserved polar loop region of Escherichia coli subunit c of the F1F0 H+-ATPase. Glutamine 42 is not absolutely essential, but substitutions alter binding and coupling of F1 to F0.

The uncE114 mutation (Gln42----Glu) in subunit c of the Escherichia coli H+ ATP synthetase causes uncoupling of proton translocation from ATP hydrolysis (Mosher, M. E., White, L. K., Hermolin, J., and Fillingame, R. H. (1985) J. Biol. Chem. 260, 4807-4814). In the background of strain ER, the mutation led to dissociation of F1 from the membrane. Ten revertants to the uncE114 mutation were isolated, and the uncE gene was cloned and sequenced. Six of the revertants were intragenic and had substitutions of glycine, alanine, or valine for the mutant glutamate residue at position 42. The intragenic, revertant uncE genes were incorporated into an otherwise wild type chromosome of strain ER. Membrane vesicles prepared from each of the revertants showed a restoration of F1 binding to F0. The Val42 revertant differed from the other two revertants in that the ATPase activity of F1 was inhibited when membrane bound. This was shown by the stimulation of ATPase activity when F1 was released from the membrane. The Gly42 and Ala42 revertants demonstrated membrane ATPase activity that was resistant to dicyclohexylcarbodiimide treatment. Resistance was shown to be due to the increased dissociation of F1 from the membrane under ATPase assay conditions. The Ala42 revertant showed a significant reduction in ATP-dependent quenching of quinacrine fluorescence that was attributed to less efficient coupling of ATP hydrolysis to H+ translocation, whereas the other revertants showed responses very near to that of wild type. Minor changes in the F1-F0 interaction in all three revertants were indicated by an increase in H+ leakiness, as judged by reduced NADH-dependent quenching of quinacrine fluorescence. The minor defects in the revertants support the idea that residue 42 is involved in the binding and coupling of F1 to F0 but also show that the conserved glutamine (or asparagine) is not absolutely necessary in this function.

Adenosine Triphosphate↗
PubMed1999

Structure, distribution and innervation of muscle spindles in avian fast and slow skeletal muscle.

Muscle spindles in 2 synergistic avian skeletal muscles, the anterior (ALD) and posterior (PLD) latissimus dorsi, were studied by light and electron microscopy to determine whether morphological or quantitative differences existed between these sensory receptors. Differences were found in the density, distribution and location of muscle spindles in the 2 muscles. They also differed with respect to the morphology of their capsules and intracapsular components. The slow ALD possessed muscle spindles which were evenly distributed throughout the muscle, whereas in the fast PLD they were mainly concentrated around the single nerve entry point into the muscle. The muscle spindle index (number of spindles per gram wet muscle weight) in the ALD was more than double that of its fast-twitch PLD counterpart (130.5+/-2.0 vs 55.4+/-2.0 respectively, n = 6). The number of intrafusal fibres per spindle ranged from 1 to 8 in the ALD and 2 to 9 in the PLD, and their diameters varied from 5.0 to 16.0 microm and 4.5 to 18.5 microm, respectively. Large diameter intrafusal fibres were more frequently encountered in spindles of the PLD. Unique to the ALD was the presence of monofibre muscle spindles (12.7% of total spindles observed in ALD) which contained a solitary intrafusal fibre. In muscle spindles of both the ALD and PLD, sensory nerve endings terminated in a spiral fashion on the intrafusal fibres in their equatorial regions. Motor innervation was restricted to either juxtaequatorial or polar regions of the intrafusal fibres. Outer capsule components were extensive in polar and juxtaequatorial regions of ALD spindles, whereas inner capsule cells of PLD spindles were more numerous in juxtaequatorial and equatorial regions. Overall, muscle spindles of the PLD exhibited greater complexity with respect to the number of intrafusal fibres per spindle, range of intrafusal fibre diameters and development of their inner capsules. It is postulated that the differences in muscle spindle density and structure observed in this study reflect the function of the muscles in which they reside.

Animals↗
PubMed2006

Effect of surfactant and solvent properties on the stacking behavior of non-aqueous suspensions of organically modified clays.

Montmorillonite clay was treated with quaternary ammonium surfactants with 1-3 long chains of 10-18 carbons to form organoclays which can be suspended in non-aqueous solvents. The effects of surfactant chain length, number of long chains, and the properties of the solvent on the colloidal behavior of the surfactant coated clay plates were studied using small-angle X-ray scattering. The scattering data were modeled using a one-dimensional aggregation theory to describe the stacking of the clay plates. The plates self-organize into stacks with a reproducible basal spacing in the range of 30-50 A, and for each surfactant, the basal spacing falls into one of two preferred distances. We interpret this by considering that the surfactant layer on the clay has two strata, one being the polar near-clay headgroup region and the other the nonpolar alkane chain region. Polar solvents will swell the polar stratum preferentially while nonpolar solvents will swell the nonpolar stratum of the surfactant. As the nonpolar stratum is larger than the polar one, the nonpolar solvents increase the basal spacing between the clay plates more than the polar solvents. The number of long chains on the surfactant does not have an effect on the basal spacing, as the density of surfactant molecules on the surface is low enough to allow the unimpeded swelling of the chains. The one-dimensional aggregation theory can be used to determine the number of plates in a stack, but the effect of changing clay particle size or concentration is not as great as would be expected from this theory. This may be due to the formation of large-scale structures in the suspensions which prevent a true equilibrium stack size being attained.

Aluminum Silicates↗
PubMed1986

Studies on the formation of 'floating' guard cell mother cells in Anemia.

The protodermal cells producing the 'floating' guard cell mother cells (GMCs) in three Anemia species undergo an extraordinary polarization and an unexpected shaping. During interphase an intercellular space is initiated at the internal proximal end of the cell, while the polar region bulges outwards. At this stage a microtubule girdle traverses the cortical cytoplasm underneath the rims of the external periclinal wall curvature. In addition, another system of microtubules converges on a cortical site adjoining the wall delimiting the intercellular space and, or, the neighbouring region of the internal periclinal wall (internal polar cortical site, IPCS). Vacuoles are found in all regions of the cell except for that between the centrally located nucleus and the intercellular space. As the cell approaches mitosis, the growing vacuolar system retreats from the cytoplasmic region below the external periclinal wall curvature. In most cells the polarized cytoplasm forms an inclined truncated cone, the bases of which abut on the external periclinal wall curvature and the wall lining the IPCS. The organization of the cortical microtubule cytoskeleton does not change significantly during preprophase-prophase. A preprophase microtubule band (PMB) is localized in the cortex lining the rims of the external periclinal wall curvature, while some microtubules traverse the IPCS and the cytoplasm adjacent to the neighbouring wall regions. The mitotic spindle axis is diagonal, while the cell plate separating the GMCs exhibits an unusual mode of growth. It gradually encircles the proximal daughter nucleus, becoming funnel-shaped. One of its periclinal edges fuses with the external periclinal wall area lined by the PMB cortical zone and the other with the internal periclinal wall area adjoining the IPCS. The latter region seems to behave like the PMB cortical zone. The results show that the morphogenetic mechanism underlying the formation of the conical GMCs includes a series of highly integrated processes, initiated or carried out during cell polarization.

Cell Cycle↗
PubMed1983

Action of taxol on mitosis: modification of microtubule arrangements and function of the mitotic spindle in Haemanthus endosperm.

We have studied the effect of taxol on mitosis in Haemanthus endosperm. Immuno-Gold Stain (IGS), a new immunocytochemical method (17), was used to visualize microtubules (MTs) in the light microscope. Observations on MT arrangements were correlated with studies in vivo. Chromosome movements are affected in all stages of mitosis which progresses over at least 10(4) range of taxol concentrations. The three most characteristic effects on MTs are: (a) enhancement of the lateral associations between MTs, seen especially during the reorganization of the polar region of the spindle, (b) promotion of MT assembly, leading to the formation of additional MTs in the spindle and MT arrays in the cytoplasm, and (c) an increase in MT stability, demonstrated in their increased cold resistance. In this report, the emphasis is on the primary, immediate effects, occurring in the first 30 min of taxol action. Effects are detected after a few mins, are reversible, and are concentration/time dependent. The spindle and phragmoplast are remarkably modified due to the enhancement of lateral associations of MTs and the formation of abundant nonkinetochore and polar, asterlike MTs. The equatorial region of the interzone in anaphase may be entirely depleted of MTs, and the spindle may break perpendicular to the spindle axis. Mitosis is completed in these conditions, providing evidence for the motile autonomy of each half-spindle. Trailing chromosome arms in anaphase are often stretched and broken. Chromosome fragments are transported away from the polar regions, i.e., in the direction opposite to that expected (5, 6). This supplies the first direct evidence of pushing by elongating MTs in an anastral higher plant spindle. These observations draw attention to the relation between the lateral association of MT ends to assembly/disassembly and to the role of such an interaction in spindle function and organization.

Alkaloids↗
PubMed1996

Decadal evolution of the Antarctic ozone hole.

Ozone column amounts obtained by the total ozone mapping spectrometer (TOMS) in the southern polar region are analyzed during late austral winter and spring (days 240-300) for 1980-1991 using area-mapping techniques and area-weighted vortex averages. The vortex here is defined using the -50 PVU (1 PVU = 1.0 x 10(-6) K kg-1 m2 s-1) contour on the 500 K isentropic surface. The principal results are: (1) there is a distinct change after 1985 in the vortex-averaged column ozone depletion rate during September and October, the period of maximum ozone loss, and (2) the vortex-averaged column ozone in late August (day 240) has dropped by 70 Dobson units (DU) in a decade due to the loss in the dark and the dilution effect. The mean ozone depletion rate in the vortex between day 240 and the day of minimum vortex-averaged ozone is about 1 DU d-1 at the beginning of the decade, increasing to about 1.8 DU d-1 by 1985, and then apparently saturating thereafter. The vortex-average column ozone during September and October has declined at the rate of 11.3 DU yr-1 (3.8%) from 1980 to 1987 (90 DU over 8 years) and at a smaller rate of 2 DU yr-1 (0.9%) from 1987 to 1991 (10 DU over 5 years, excluding the anomalous year 1988). We interpret the year-to-year trend in the ozone depletion rate during the earlier part of the decade as due to the rise of anthropogenic chlorine in the atmosphere. The slower trend at the end of the decade indicates saturation of ozone depletion in the vortex interior, in that chlorine amounts in the mid-1980s were already sufficiently high to deplete most of the ozone in air within the isolated regions of the lower-stratospheric polar vortex. In subsequent years, increases in stratospheric chlorine may have enhanced wintertime chemical loss of ozone in the south polar vortex even before major losses during the Antarctic spring.

Antarctic Regions↗
PubMed2001

Metabolism, endocrine status, and allergy in the extreme north.

The problem of allergic diseases has become more and more pressing in recent years, owing to a broad prevalence and constant morbidity growth in whole world, especially in high latitude regions. The present allergy situation in polar regions, especially in active industrial assimilation centres, undoubtedly stipulates necessity of a careful analysis of its forming mechanism and a search for effective methods of prevention and correction of allergic disorders. Our studies have revealed the significant influence of ecologically stipulated endocrine status modification on frequency of allergic disorders in the north. However, the character of the immune system and liver function in the case of blood cortisol increase has not allowed us to link allergic reactions with corticosteroid production by activation of the adrenal glands. Allergies in the north are mostly dependent on the influence of insulin and thyroid hormones. As it appears, allergies occur mainly among persons with a higher insulin level. Combination of high blood insulin concentration with functional disorders of the digestive system increases the allergy frequency. A similar picture of allergy frequency dependence also emerges in thyroid hormones blood level evaluation. Generally our investigations allow us to make the conclusion that allergic disorders in migrants to northern territories are an indication of the exhaustion of the organism's reserve abilities and are mainly connected with disorders of the function of the gastrointestinal tract and liver, which are stipulated by extreme climate-geophysical conditions of the north including technogenous industrial contamination. This could probably be connected either to a reduction of gastrointestinal tract barrier function for exogenous allergens or to a decrease of metabolism velocity and the clearing of antigen substances by liver.

Adult↗
PubMed1988

[Prevalence of arterial hypertension, ischemic heart disease and their risk factors in geologists in various regions of the USSR].

The authors presented the results of an epidemiological survey conducted simultaneously for the first time among persons of geological professions in order to reveal the prevalence of arterial hypertension (AH) and coronary heart disease (CHD) with account of labor intensity, climatic and geographic factors. Altogether 1041 men were examined in 4 regions: in Vorkuta (a trans-polar region), Ukhta (a northern region), Chita and the Central region. The highest AH prevalence was detected in Vorkuta (27.4%), the lowest--in the Central region; the highest CHD prevalence was noted in Ukhta, the lowest--in Vorkuta. As for labor intensity, persons whose work was characterized by psychologic stress, suffered from AH and CHD more frequently. Significant differences in the prevalence of these diseases were revealed among managers and employees.

Adult↗
PubMed1986

Dielectric properties of the polar head group region of zwitterionic lipid bilayers.

A theoretical model describing the dielectric properties of the lipid membrane-water interface region was developed. The rotating polar head groups (e.g. phosphatidylcholine) were simulated as a collection of interacting dipoles imbedded in a nonhomogeneous dielectric. The interactions between the nearest neighborhood were explicitly taken into account, while the other interactions were evaluated by means of the continuum theories. The values of the dielectric constant, its anisotropy and the spontaneous polarization of the interface were evaluated. As an application, we calculated the energy of interaction between an ion and the membrane polar head group region. The results indicate a small spontaneous polarization of the interface (1-1.7 Debyes per lipid molecule) due to the tilting angle of the choline residue with respect to the membrane surface. This dipolar field partially compensates that of opposite orientation originating from the ester group region, giving calculated overall dipolar potentials in better agreement with the experimental data. Our model suggests also a very strong dielectric anisotropy of the interface region, the component of the dielectric constant perpendicular to the membrane plane being much smaller than the parallel component.

Calorimetry↗