The Girl You Leave Behind

https://digitalcommons.library.umaine.edu/mmb-vp/4864/thumbnail.jp

Kinetic pathway analysis of an α-helix in two protonation states: Direct observation and optimal dimensionality reduction

This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Chem. Phys. 150, 074902 (2019); https://doi.org/10.1063/1.5082192 and may be found at https://aip.scitation.org/doi/full/10.1063/1.5082192Thermodynamically stable conformers of secondary structural elements make a stable tertiary/quaternary structure that performs its proper biological function efficiently. Formation mechanisms of secondary and tertiary/quaternary structural elements from the primary structure are driven by the kinetic properties of the respective systems. Here we have carried out thermodynamic and kinetic characterization of an alpha helical heteropeptide in two protonation states, created with the addition and removal of a proton involving a single histidine residue in the primary structure. Applying far-UV circular dichroism spectroscopy, the alpha helix is observed to be significantly more stable in the deprotonated state. Nanosecond laser temperature jump spectroscopy monitoring time-resolved tryptophan fluorescence on the protonated conformer is carried out to measure the kinetics of this system. The measured relaxation rates at a final temperature between 296K and 314 K generated a faster component of 20 ns–11 ns and a slower component of 314 ns–198 ns. Atomically detailed characterization of the helix-coil kinetic pathways is performed based on all-atom molecular dynamics trajectories of the two conformers. Application of clustering and kinetic coarse-graining with optimum dimensionality reduction produced description of the trajectories in terms of kinetic models with two to five states. These models include aggregate states corresponding to helix, coil, and intermediates. The “coil” state involves the largest number of conformations, consistent with the expected high entropy of this structural ensemble. The “helix” aggregate states are found to be mixed with the full helix and partially folded forms. The experimentally observed higher helix stability in the deprotonated form of the alpha helical heteropeptide is reflected in the nature of the “helix” aggregate state arising from the kinetic model. In the protonated form, the “coil” state exhibits the lowest free energy and longest lifetime, while in the deprotonated form, it is the “helix” that is found to be most stable. Overall, the coarse grained models suggest that the protonation of a single histidine residue in the primary structure induces significant changes in the free energy landscape and kinetic network of the studied helix-forming heteropeptide

Harapan Orang Tua Memasukkan Anaknya ke Mda Haqqul Yakin Rw 01 Desa Tarai Bangun Kecamatan Tambang Kabupaten Kampar

Research it is based on the hope of the old admit their children to MDA. For the purpose of know the hope of the old admit their children to MDA Haqqul Yakin RW 01 Desa Tarai Bangun Kecamatan Tambang Kabupaten Kampar. Formulation problems in this research was how high the hope of the old admit their children to MDA Haqqul Yakin RW 01 Desa Tarai Bangun Kecamatan Tambang Kabupaten Kampar?. Technique the sample collection using a technique simple random sampling (the sample collection at random simple). Technique the data in this research was to technique chief, which consisted of 34 items statement.Data is collected of the respondents who consist of 20 people for a sample of testing and 104 people to the sample.After chief in testing, there are 8 items that invalid, and researchers dispose of all a statement that is not, so that the whole instrument expressed reliabel as alpha cronbach = 0,29. The results of the study be seen that the hope of the old admit their children MDA Haqqul Yakin RW 01 Desa Tarai Bangun Kecamatan Tambang Kabupaten Kampar are low.Seen of the scale interprestasi mean an average of 4,16.Based on the criteria and scale of interprestasi that has been set, so can be concluded that the hope of the old admit their children to MDA Haqqul Yakin RW 01 Desa Tarai Bangun Kecamatan Tambang Kabupaten Kampar were very low

That Society Rag

Illustration of couple dancinghttps://scholarsjunction.msstate.edu/cht-sheet-music/4318/thumbnail.jp

Faktor Yang Mempengaruhi Rendahnya Minat Baca Masyarakat Di Taman Bacaan Kota Pekanbaru

The purpose of this study are (1) for a description of the visit in the public reading of Pekanbaru, (2) internal factors affecting low reading public interest in the public reading of Pekanbaru, (3) external factors affecting low public interest in reading in the park Pekanbaru city public reading. The type of research conducted is a qualitative description with a descriptive case study approach aims to determine the factors that affect the low reading public interest in the park reading the city of Pekanbaru. Where the research was conducted in TBM Pekanbaru located on the road Tambelan state parks white wood village Simpang Empat Pekanbaru. TBM Pekanbaru are investigating a given range of issues concerning the public interest, Pekanbaru. Subjects in this study were 3 people consisting of one person kasudit services library and archives Pekanbaru, one employee TBM Pekanbaru and one of the visitors who will be used as informants. Data collection techniques are the ways that researchers to collect data, the study was conducted through the following steps: observation, interviews, documentation, triangulation. To determine the factors that affect low reading public reading public in the city of Pekanbaru. The researchers collecting data in accordance with the guidelines of data collection techniques are available, the obtained results of the research findings tendency to lower the public interest in TBM city of Pekanbaru influenced by internal factors which include aspects of age and psychological needs of visitors, while external factors covering aspects of availability book, infrastructure, and teman.Didasarkan influence on the outcome of the above data it can be concluded that the research results the dominant factor affecting low reading public interest in Pekanbaru city TBM are external factors which include covering aspects of availability of books, facilities, and the effect teman.Untuk recommendation that researchers aimed for managers as the executor TBM management of Pekanbaru city, the library board and archives Pekanbaru city as the policy makers in the development of culture in the city of Pekanbaru, as well as the parties that support the cultivation of reading interest, especially in the city of Pekanbaru

Influence of temperature and viscosity on anthracene rotational diffusion in organic solvents: Molecular dynamics simulations and fluorescence anisotropy study

This is the publisher's version, also available electronically from http://scitation.aip.org/content/aip/journal/jcp/107/21/10.1063/1.475172.Molecular dynamics simulations and fluorescenceanisotropy decay measurements are used to investigate the rotational diffusion of anthracene in two organic solvents—cyclohexane and 2-propanol—at several temperatures. Molecular dynamics simulations of 1 ns length were performed for anthracene in cyclohexane (at 280, 296, and 310 K) and in 2-propanol (at 296 K). The calculated time constants for reorientation of the short in-plane axis were 7–9 and 11–16 ps at 296 K in cyclohexane and 2-propanol, respectively, in excellent agreement with corresponding fluorescence depolarization measurements of 8 and 14 ps. The measured rotational reorientation times and the calculated average rotational diffusion coefficients varied in accord with Debye–Stokes–Einstein theory. Their magnitudes were close to values predicted for an ellipsoid of shape and size equivalent to an anthracene molecule, and exhibited predictable variation with external conditions—increasing with temperature and decreasing with solventviscosity. However, analysis of the calculated rotational diffusion coefficients for the individual molecular axes gave a more complex picture. The diffusion was highly anisotropic and changes in temperature and solvent type led to nonuniform variation of the diffusion coefficients. The nature of these changes was rationalized based on analysis of variation of solvation patterns with temperature and solvent

Highly-anisotropic and strongly-dissipative hydrodynamics with transverse expansion

A recently formulated framework of highly-anisotropic and strongly-dissipative hydrodynamics (ADHYDRO) is used to describe the evolution of matter created in ultra-relativistic heavy-ion collisions. New developments of the model contain: the inclusion of asymmetric transverse expansion (combined with the longitudinal boost-invariant flow) and comparisons of the model results with the RHIC data, which have become possible after coupling of ADHYDRO with THERMINATOR. Various soft-hadronic observables (the transverse-momentum spectra, the elliptic flow coefficient v_2, and the HBT radii) are calculated for different initial conditions characterized by the value of the initial pressure asymmetry. We find that as long as the initial energy density profile is unchanged the calculated observables remain practically the same. This result indicates the insensitivity of the analyzed observables to the initial anisotropy of pressure and suggests that the complete thermalization of the system may be delayed to easily acceptable times of about 1 fm/c

Accretions of Various Types of Dark Energies onto Morris-Thorne Wormhole

In this work, we have studied accretion of the dark energies onto Morris-Thorne wormhole. For quintessence like dark energy, the mass of the wormhole decreases and phantom like dark energy, the mass of wormhole increases. We have assumed two types of dark energy like variable modified Chaplygin gas (VMCG) and generalized cosmic Chaplygin gas (GCCG). We have found the expression of wormhole mass in both cases. We have found the mass of the wormhole at late universe and this is finite. For our choices the parameters and the function $B(a)$, these models generate only quintessence dark energy (not phantom) and so wormhole mass decreases during evolution of the universe. Next we have assumed 5 kinds of parametrizations of well known dark energy models. These models generate both quintessence and phantom scenarios. So if these dark energies accrete onto the wormhole, then for quintessence stage, wormhole mass decreases upto a certain value (finite value) and then again increases to infinite value for phantom stage during whole evolution of the universe. We also shown these results graphically.Comment: 9 pages, 7 figures. arXiv admin note: text overlap with arXiv:1112.615

Virtual Partner Interaction (VPI): Exploring Novel Behaviors via Coordination Dynamics

Inspired by the dynamic clamp of cellular neuroscience, this paper introduces VPI—Virtual Partner Interaction—a coupled dynamical system for studying real time interaction between a human and a machine. In this proof of concept study, human subjects coordinate hand movements with a virtual partner, an avatar of a hand whose movements are driven by a computerized version of the Haken-Kelso-Bunz (HKB) equations that have been shown to govern basic forms of human coordination. As a surrogate system for human social coordination, VPI allows one to examine regions of the parameter space not typically explored during live interactions. A number of novel behaviors never previously observed are uncovered and accounted for. Having its basis in an empirically derived theory of human coordination, VPI offers a principled approach to human-machine interaction and opens up new ways to understand how humans interact with human-like machines including identification of underlying neural mechanisms