rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Structure of gas-liquid interface and hydrophobic interface for urea aqueous solution
    sub title: a computer simulation study
  name:
    name part: Yu, Meng.
    role:
      role term: creator
  name:
    name part: Gao, Yi-Qin
    role:
      role term: thesis advisor.
  type of resource: text
  genre: bibliography
  origin info:
    place:
      place term: txu
    date issued: 2010
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: electronic
    form: remote
    extent: 1 online resource.
  abstract: Urea aqueous solution is ubiquitously used to denature protein. Regardless of its extensive use, the mechanism is still unclear and remains an active field of study. There have been two proposed mechanisms, the direct and indirect. The indirect mechanism, which attributes the ability of urea of changing water structure, is susceptible since many research works show that there is little effect of urea on water structure. The current study provided evidence for the indirect mechanism by demonstrating that the introduction of urea slightly changes the water structure in the hydrophobic interfacial areas. In the current study, the urea aqueous solution systems with either gas-liquid or hydrophobic interface are studied by MD simulations, and the structures of water near the interfacial areas are analyzed in terms of density, orientation and number of hydrogen bonds. For each kind of interface, systems with four different urea concentrations are included, ranging from 0M to 8M. The results show slight change of water structure by the urea solute on the hydrophobic interface in terms of the orientation and number of hydrogen bonds per water molecule.
  note: by Meng Yu.
  note: "Major Subject: Chemistry"
  note: Title from author supplied metadata (automated record created 2010-03-12 12:08:51).
  note: Electronic resource.
  note: Master of Science Texas A&M University 2008 http://hdl.handle.net/1969.1/ETD-TAMU-2681
  note: Includes bibliographical references.
  note: Text (Thesis)
  subject:
    topic: Major chemistry
  subject:
    topic: urea
  subject:
    topic: aqueous solution
  subject:
    topic: computer simulation
  subject:
    topic: interface
  identifier: http://hdl.handle.net/1969.1/ETD-TAMU-2681
  record info:
    record content source: TXA
    record creation date: 100428
    record change date: 20151201150051.0
    record identifier: in00002574568