2,491 research outputs found
Letter from Griggs County Sheriff A. I Monson to Attorney General Langer Regarding Beverages and Tobacco Sold in Griggs Country, 1917
Letter dated July 21, 1917 from Griggs County Sheriff A. I Monson to Attorney General Langer listing beverages and tobacco products sold, and by what people or establishments, in Griggs Country.https://commons.und.edu/langer-papers/1285/thumbnail.jp
Energy Minimization of Discrete Protein Titration State Models Using Graph Theory
There are several applications in computational biophysics which require the
optimization of discrete interacting states; e.g., amino acid titration states,
ligand oxidation states, or discrete rotamer angles. Such optimization can be
very time-consuming as it scales exponentially in the number of sites to be
optimized. In this paper, we describe a new polynomial-time algorithm for
optimization of discrete states in macromolecular systems. This algorithm was
adapted from image processing and uses techniques from discrete mathematics and
graph theory to restate the optimization problem in terms of "maximum
flow-minimum cut" graph analysis. The interaction energy graph, a graph in
which vertices (amino acids) and edges (interactions) are weighted with their
respective energies, is transformed into a flow network in which the value of
the minimum cut in the network equals the minimum free energy of the protein,
and the cut itself encodes the state that achieves the minimum free energy.
Because of its deterministic nature and polynomial-time performance, this
algorithm has the potential to allow for the ionization state of larger
proteins to be discovered
Freezing line of the Lennard-Jones fluid: a Phase Switch Monte Carlo study
We report a Phase Switch Monte Carlo (PSMC) method study of the freezing line
of the Lennard-Jones (LJ) fluid. Our work generalizes to soft potentials the
original application of the method to hard sphere freezing, and builds on a
previous PSMC study of the LJ system by Errington (J. Chem. Phys. {\bf 120},
3130 (2004)). The latter work is extended by tracing a large section of the
Lennard-Jones freezing curve, the results for which we compare to a previous
Gibbs-Duhem integration study. Additionally we provide new background regarding
the statistical mechanical basis of the PSMC method and extensive
implementation details.Comment: 18 pages, 6 figure
Patient satisfaction with lower gastrointestinal endoscopy: doctors, nurse and nonmedical endoscopists
Aim Assessment of patient satisfaction with lower gastrointestinal endoscopy (LGE) comprising colonoscopy and flexible sigmoidoscopy is gaining increasing importance. We have now trained non healthcare professionals such as nonmedical endoscopists (NMEs) to perform LGE to overcome shortage of trained endoscopists. The aim of this study was to prospectively determine patient satisfaction, factors affecting satisfaction with LGE and to compare with nurses, NME and medical endoscopists, in terms of patient satisfaction. Method Consecutive patients undergoing LGE answered specially developed patient satisfaction questionnaire at discharge and 24 h thereafter. This questionnaire was a modification of m-Group Health Association of America questionnaire. Construct and face validity of questionnaire were tested by an expert group. Demographic and clinical data was prospectively collected. Multivariate regression analysis was performed to determine factors influencing patient satisfaction. Results Some 503 patients were surveyed after LGE. Examinations were performed by nurse (n = 105), doctor (n = 191), or NMEs (n = 155). There were no differences between three groups in terms of completion rates/complications. No differences were detected between endoscopists in patient rating for overall satisfaction (P = 0.6), technical skills (P = 0.58), communication skills (P = 0.61) or interpersonal skills (0.59). Multivariate regression analysis showed that higher preprocedure anxiety, history of pelvic operations/hysterectomy and higher pain scores were associated with adverse patient satisfaction and preprocedure anxiety, history of hysterectomy and female gender were associated with higher pain scores. Conclusion This study has shown that there are no differences in patient satisfaction with LGE performed by nurse, doctor or NME. The most important factor affecting patient satisfaction is degree of discomfort/pain experienced by patient
Modelling the thermal stability of precursor nanoparticles in zeolite synthesis
We have modelled the thermal stability of silica nanoparticles commonly observed as precursors in the synthesis of zeolites. We performed canonical Monte Carlo and parallel tempering simulations on a lattice model that describes the self-assembly of nanoparticles under conditions at which they are observed experimentally. The effect of heating on the relative stability of the phases of the model was analysed by running simulations at various temperatures. At low temperature, the model yields a metastable multi-particle phase with a characteristic size distribution, which is separated by an energy barrier from the true equilibrium phase, a dense silica solid. As temperature increases, the system enters a transition region and eventually reaches the bulk phase. This transition is reminiscent of the experimentally observed transition from nanoparticles to zeolite. The transition temperature scales with the inverse of the system volume, approaching an asymptotic value for large system sizes. This indicates the transition temperature is a reproducible macroscopic property of the system. The transition temperature in the model is within the range of temperatures at which nanoparticles form zeolite crystals in experiments
Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis
We present a lattice model describing the formation of silica nanoparticles in the early stages of the clear-solution templated synthesis of silicalite-1 zeolite. Silica condensation/hydrolysis is modeled by a nearest-neighbor attraction, while the electrostatics are represented by an orientation-dependent, short-range interaction. Using this simplified model, we show excellent qualitative agreement with published experimental observations. The nanoparticles are identified as a metastable state, stabilized by electrostatic interactions between the negatively charged silica surface and a layer of organic cations. Nanoparticle size is controlled mainly by the solution pH, through nanoparticle surface charge. The size and concentration of the charge-balancing cation are found to have a negligible effect on nanoparticle size. Increasing the temperature allows for further particle growth by Ostwald ripening. We suggest that this mechanism may play a role in the growth of zeolite crystals
Extravehicular activities limitations study. Volume 1: Physiological limitations to extravehicular activity in space
This report contains the results of a comprehensive literature search on physiological aspects of EVA. Specifically, the topics covered are: (1) Oxygen levels; (2) Optimum EVA work; (3) Food and Water; (4) Carbon dioxide levels; (5) Repetitive decompressions; (6) Thermal, and (7) Urine collection. The literature was assessed on each of these topics, followed by statements on conclusions and recommended future research needs
Hydration of a B-DNA Fragment in the Method of Atom-atom Correlation Functions with the Reference Interaction Site Model Approximation
We propose an efficient numerical algorithm for solving integral equations of
the theory of liquids in the Reference Interaction Site Model (RISM)
approximation for infinitely dilute solution of macromolecules with a large
number of atoms. The algorithm is based on applying the nonstationary iterative
methods for solving systems of linear algebraic equations. We calculate the
solvent-solute atom-atom correlation functions for a fragment of the B-DNA
duplex d(GGGGG).d(CCCCC) in infinitely dilute aqueous solution. The obtained
results are compared with available experimental data and results from computer
simulations.Comment: 9 pages, RevTeX, 9 pages of ps figures, accepted for publications in
JC
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