349 research outputs found
Assessing ecological competition for electron donor within a groundwater microbial community that contains organohalide-respiring bacteria
Sulfide-binding hemoglobins: Effects of mutations on active-site flexibility
The dynamics of Hemoglobin I (HbI) from the clam Lucina pectinata, from wild-type sperm whale (SW) myoglobin, and from the L29F/H64Q/V68F triple mutant of SW, both unligated and bound to hydrogen sulfide (H2S), have been studied in molecular dynamics simulations. Features that account for differences in H2S affinity among the three have been examined. Our results verify the existence of an unusual heme rocking motion in unligated HbI that can promote the entrance of large ligands such as H2S. The FQF-mutant partially reproduces the amplitude and relative orientation of the motion of HbI's heme group. Therefore, besides introducing favorable electrostatic interactions with H2S, the three mutations in the distal pocket change the dynamic properties of the heme group. The active-site residues Gln-64(E7), Phe-43(CD1), and His-93(F8) are also shown to be more flexible in unligated HbI than in FQF-mutant and SW. Further contributions to H2S affinity come from differences in hydrogen bonding between the heme propionate groups and nearby amino acid residues.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicada
Sulfide-binding hemoglobins: Effects of mutations on active-site flexibility
The dynamics of Hemoglobin I (HbI) from the clam Lucina pectinata, from wild-type sperm whale (SW) myoglobin, and from the L29F/H64Q/V68F triple mutant of SW, both unligated and bound to hydrogen sulfide (H2S), have been studied in molecular dynamics simulations. Features that account for differences in H2S affinity among the three have been examined. Our results verify the existence of an unusual heme rocking motion in unligated HbI that can promote the entrance of large ligands such as H2S. The FQF-mutant partially reproduces the amplitude and relative orientation of the motion of HbI's heme group. Therefore, besides introducing favorable electrostatic interactions with H2S, the three mutations in the distal pocket change the dynamic properties of the heme group. The active-site residues Gln-64(E7), Phe-43(CD1), and His-93(F8) are also shown to be more flexible in unligated HbI than in FQF-mutant and SW. Further contributions to H2S affinity come from differences in hydrogen bonding between the heme propionate groups and nearby amino acid residues.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicada
Clinical components and associated behavioural aspects of a complex healthcare intervention : Multi-methods study of selective decontamination of the digestive tract in critical care
Copyright © 2013 Australian College of Critical Care Nurses Ltd. Published by Elsevier Ltd. All rights reserved.Peer reviewedPostprin
Quantum point contact on graphite surface
The conductance through a quantum point contact created by a sharp and hard
metal tip on the graphite surface has features which to our knowledge have not
been encountered so far in metal contacts or in nanowires. In this paper we
first investigate these features which emerge from the strongly directional
bonding and electronic structure of graphite, and provide a theoretical
understanding for the electronic conduction through quantum point contacts. Our
study involves the molecular-dynamics simulations to reveal the variation of
interlayer distances and atomic structure at the proximity of the contact that
evolves by the tip pressing toward the surface. The effects of the elastic
deformation on the electronic structure, state density at the Fermi level, and
crystal potential are analyzed by performing self-consistent-field
pseudopotential calculations within the local-density approximation. It is
found that the metallicity of graphite increases under the uniaxial compressive
strain perpendicular to the basal plane. The quantum point contact is modeled
by a constriction with a realistic potential. The conductance is calculated by
representing the current transporting states in Laue representation, and the
variation of conductance with the evolution of contact is explained by taking
the characteristic features of graphite into account. It is shown that the
sequential puncturing of the layers characterizes the conductance.Comment: LaTeX, 11 pages, 9 figures (included), to be published in Phys. Rev.
B, tentatively scheduled for 15 September 1998 (Volume 58, Number 12
Sulfide-binding hemoglobins: Effects of mutations on active-site flexibility
The dynamics of Hemoglobin I (HbI) from the clam Lucina pectinata, from wild-type sperm whale (SW) myoglobin, and from the L29F/H64Q/V68F triple mutant of SW, both unligated and bound to hydrogen sulfide (H2S), have been studied in molecular dynamics simulations. Features that account for differences in H2S affinity among the three have been examined. Our results verify the existence of an unusual heme rocking motion in unligated HbI that can promote the entrance of large ligands such as H2S. The FQF-mutant partially reproduces the amplitude and relative orientation of the motion of HbI's heme group. Therefore, besides introducing favorable electrostatic interactions with H2S, the three mutations in the distal pocket change the dynamic properties of the heme group. The active-site residues Gln-64(E7), Phe-43(CD1), and His-93(F8) are also shown to be more flexible in unligated HbI than in FQF-mutant and SW. Further contributions to H2S affinity come from differences in hydrogen bonding between the heme propionate groups and nearby amino acid residues.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicada
A Forum for Business Growth and Workforce Development: Findings and Recommendations
In the fall of 2008, Illinois State University – Extended University (EU) and the Economic Development Council of the Bloomington-Normal Area (EDC) initiated discussions about a community partnership project to identify workforce opportunities and challenges related to economic stabilization and growth in order to gain a better understanding of the state of workforce preparedness in the area. Rapidly changing dynamics in the economy made previous assessments obsolete. Organizations who work toward the promotion of a strong workforce were approached to participate in the project. EU and the EDC were joined in sponsoring a community event by Heartland Community College, Illinois Wesleyan University, Lincoln College – Normal, Regional Office of Education 17, McLean County Chamber of Commerce, CareerLink 16, and the Small Business Development Center at Illinois State University.
Project partners designed and developed a series of discussion forums for eight sectors: Agriculture and Energy, Manufacturing, Small Business Retail, Service, Financial Services, Information Technology, Healthcare, and Construction. The Forum for Business Growth and Workforce Development was held from June 8 – 12, 2009 at Illinois State University. Each sector panel discussion was moderated over a ninety minute period and included two to seven panelists from area businesses
Energy spectra of fractional quantum Hall systems in the presence of a valence hole
The energy spectrum of a two-dimensional electron gas (2DEG) in the
fractional quantum Hall regime interacting with an optically injected valence
band hole is studied as a function of the filling factor and the
separation between the electron and hole layers. The response of the 2DEG
to the hole changes abruptly at of the order of the magnetic length
. At , the hole binds electrons to form neutral () or
charged () excitons, and the photoluminescence (PL) spectrum probes the
lifetimes and binding energies of these states rather than the original
correlations of the 2DEG. The ``dressed exciton'' picture (in which the
interaction between an exciton and the 2DEG was proposed to merely enhance the
exciton mass) is questioned. Instead, the low energy states are explained in
terms of Laughlin correlations between the constituent fermions (electrons and
's) and the formation of two-component incompressible fluid states in the
electron--hole plasma. At , the hole binds up to two Laughlin
quasielectrons (QE) of the 2DEG to form fractionally charged excitons
QE. The previously found ``anyon exciton'' QE is shown to be
unstable at any value of . The critical dependence of the stability of
different QE complexes on the presence of QE's in the 2DEG leads to the
observed discontinuity of the PL spectrum at or .Comment: 16 pages, 14 figures, submitted to PR
Abstracts from the College of Podiatry Annual Conference 2018 : Bournemouth, UK. 22-24 November 2018
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