Browsing by Author "Saebø, Svein"
Now showing items 1-9 of 9
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Experimental and Computational Study of the pH Dependence of Dithiopurine (DTP) Interaction with Gold Nanoparticles (AuNPs)
Xia, HaoUnderstanding molecular level ligand interfacial interaction with gold nanoparticles (AuNPs) is important for AuNP applications such as catalysts, drug delivery vehicles, and so forth. As an organothiol that can undergo ... -
Insights on Protein Structure and Dynamics from Temperature-Dependent Molecular Dynamics and Normal Mode Analysis
Rehman, Habib urIn this thesis we have employed two computational approaches, temperature-dependent molecular dynamics (MD) and normal mode analysis (NMA), to gain insights into the structure-function relationships between three ... -
Interactions of Organothiols with Gold Nanoparticles in Water
Mohamed Ansar, Mohamed SiyamSelf-assembly of organothiols (OTs) and thiolated biomolecules onto gold nanoparticle (AuNP) surfaces remains one of the most intense areas of nanoscience research and understanding molecular interfacial phenomena is ... -
Nmr Structure and Relaxation Studies of Dhfr from Haloferax Volcanii at High Salt
Binbuga, BulentThe studies of enzymes from extreme sources have gained significance due to their increasing potential applications. The proteins from halophiles (salt loving) have adapted to challenging environmental conditions and require ... -
Occurrence and Transformation of Pharmaceutical and Antibacterial Compounds in the Environment
Verma, Kusum SantoshThe presence of pharmaceuticals and personal care products (PPCPs) in the environment has become a matter of concern during the last decade. Increased production of PPCPs along with their increased use has led to release ... -
Solvent methods in coupled-cluster theory
Thanthiriwatte, Kanchana Sahan (Mississippi State UniversityDepartment of Chemistry., 4/3/2009)This dissertation describes the implementation of the molecular electronic structure calculations with an implicit solvent model using coupled-cluster theory. The theory for and the implementation of the solvent reaction ... -
Surface-Enhanced Raman Spectroscopy of Thiobarbituric Acid (TBA) and TBA Reactive Compounds
Haputhanthri, Pravindya RukshaniMalondialdehyde (MDA) is the commonly accepted biomarker of lipid peroxidation. We reported the surface-enhanced Raman (SERS) detection of MDA using Thiobarbituric acid (TBA) as a molecular probe. The lowest concentration ... -
The Mechanism by Which Oximes Reactivate Cholinesterases Inhibited by Organophosphates
Bhavaraju, Manikanthan Hari Naga VenkataThe enzymes acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are inhibited by nerve agents such as sarin and tabun. In general, the inhibited enzymes are reactivated by bisquaternary ammonium compounds (oximes). ... -
Towards a Quantitative Understanding of Surface Enhanced Raman Phenomena by Using Internal References
Ameer, Fathima SuraiyaAccurate determination of the surface enhanced Raman scattering (SERS) enhancement factor (EF) is critically important for a fundamental understanding of the SERS phenomenon. Experimental quantification of SERS EFs is ...