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Analysis of f Element Compound Bonding and Properties Through Localized Orbital Descriptions By Density Functional Theory and Relativistic Multi-Configurational Wave Function Theory
(State University of New York at Buffalo, 2019)
Various theoretical methods are employed in the analysis of the role of the f shell in chemical bonding and properties in lanthanide and actinide systems. Density functional theory calculations are parameterized and applied ...
Aerobic Photoredox Reactions with Chalcogenorosamine Photosensitizers
(State University of New York at Buffalo, 2018)
Photocatalysis is a single-electron-transfer (SET) process that employs organic dyes or transition metal complexes along with visible light irradiation.1 Organic dyes have been utilized to a limited extent in photoredox ...
Aerosol Flame-Based Synthesis of Crumpled Reduced Graphene Oxide
(State University of New York at Buffalo, 2018)
In recent years, three-dimensional graphene-based materials have attracted considerable research attention. Continuous development of new preparation strategies have led to production of material with controllable morphologies ...
Exploring the versatile role of doubly resonant sum frequency spectroscopy in molecular characterization of self-assembled and solid interfaces
(State University of New York at Buffalo, 2019)
Vibrational sum frequency generation (VSFG) spectroscopy is a nonlinear linear optical technique used, in general, to study the resonant infrared frequencies of chemical systems which lack centrosymmetry at the molecular ...
Determining Conformational Preferences of Shape-Persistent Aromatic Oligoamides and Folding of Aromatic Oligoureas with Ion-Pair Associations
(State University of New York at Buffalo, 2019)
The synthesis and characterization of folding aromatic oligoamides with reducedconstraint, ion-pair associations and solvent-mediated folding of aromatic oligoureas, andoligoamides with unique conformational variations ...
Phosphorescent Chromophores as Structural Tectons for Coordination-Driven Self-Assembly Leading to Emergent Photophysical Properties.
(State University of New York at Buffalo, 2019)
Coordination-driven self-assembly is a synthetic methodology that allows for the creation of metallacycles and metallacages from component Lewis-acid acceptors and Lewis-basic donors as building blocks, or tectons. By using ...
MECHANISTIC INSIGHTS INTO THE CATALYTIC MECHANISM AND INHIBITION OF MYCOBACTERIUM TUBERCULOSIS ISOCITRATE LYASE
(State University of New York at Buffalo, 2019)
Mycobacterium tuberculosis, the causative organism for tuberculosis, is responsible for the highest mortality rate among bacterial pathogens. Persistent M. tuberculosis infections depend on the glyoxylate shunt, a ...
Involvement of lipids in cellular senescence
(State University of New York at Buffalo, 2018)
Cellular senescence is a state of permanent cell-cycle arrest that occurs following an extended period of proliferation in culture or in response to stress. This phenomenon is characterized by dramatic morphological changes ...
Biological Assessment of Thioamide and Amide-Containing Chalcogenorhodamine Dyes as Photosensitizers for PDT of Cancer, ECP, and GVHD & Synthesis and Evaluation of Oligothiophene-Containing Chalcogenorhodamine Dyes for Biological and Photochemical Applications
(State University of New York at Buffalo, 2018)
The synthesis of chalcogenorhodamine dyes having biological applications as photosensitizers for photodynamic therapy (PDT) of cancer, extracorporeal photopheresis (ECP) of malignant T-cells, and graft-versus-host disease ...
Interactions at the Surface-Adsorbate Interface: An Outlook Through Computational Work
(State University of New York at Buffalo, 2018)
The interaction between surfaces and adsorbates are discussed from the results of a multitude of different projects. Single molecule adsorption, molecular cluster formation, and hydrogen bonded molecular networks were ...