Inorganic and Physical Chemistry (IPC): Recent submissions
Now showing items 41-60 of 290
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Studies on BODIPY Appended Ruthenium(II) Complexes for Bioimaging and Photodynamic Therapy Applications
Photodynamic therapy (PDT) is a medical technique that utilizes light, oxygen, and a photosensitizer to treat several medical conditions, including cancer. Because of the limitations and side effects of traditional anticancer ... -
Dynamics of Quantum Supercooled Liquids: A Mode Coupling Approach
In this thesis, I use the quantum mode coupling theory (QMCT) formulation to study the dynamics in a supercooled liquid to understand how quantum fluctuations affect the liquid-glass transition. I calculate the Kubo-transformed ... -
Polymerizable Porogen – Direct generation of internally functionalized porous polymers
Bicontinuous functional porous polymers are desirable in terms of pore accessibility, particularly for applications in templating, chromatographic separation, and catalysis. Bicontinuous morphologies can be obtained by ... -
Itaconate Based Novel Amphiphilic Polymer Architectures
Amphiphiles are natural or synthetic molecules consisting of hydrophilic polar head group and hydrophobic non-polar hydrocarbon tail. Beyond a certain concentration, known as critical micellar concentration (CMC), amphiphilic ... -
Towards Electronic Scale Dynamics of Chemical Bonding in Isolated Molecules and Solvated Species
The chemical bonding in molecules and molecular clusters is determined by the nature of the electron density distribution between the atoms. Over the past century, different theories such as Lewis’s bond, valence-bond ... -
Shock tube experimental and advanced computational investigations on pyrolysis of cyclohexane derivatives and C2 + C2 reaction
My thesis involves studying the pyrolysis/thermal decomposition of cyclohexane derivatives (important constituents of conventional transportation fuel). From the literature as well as the composition analysis of two fuels ... -
Analytical Results on Disorder effects on Polaritons and Barrier Crossing Problems
Disorder plays a significant role in the study of numerous fields of research in chemistry. Whether it is a more that 80 years old classic problem like Kramers’ escape rate or the current interest in polaritons, disorder ... -
Shock Tube Investigation and Modeling of Dicyclopentadiene: Fundamental to Application
Dicyclopentadiene (DCPD), a homodimer of cyclopentadiene (C5H6) was chosen for the present study. DCPD can be obtained by dehydrogenation of JP-10 (jet propellant C10H16) which is currently used as aviation fuel. The ... -
Theoretical investigation of H atom tunneling in Catecholate Monoanion: A combined time-independent and time-dependent quantum mechanical study
This thesis presents a combined time-independent and time-dependent quantum mechanical study of a system, Catecholate Monoanion (CM) for the study of H atom tunneling. It has an intramolecular H bond leading to a symmetric ... -
Theoretical Studies of Polymer Dynamics in Confined Spaces
The growing use of micro- and nano-fabricated devices to study complex biological processes has made it increasingly important to understand the effects of confinement on macromolecular behaviour. In this thesis, I will ... -
Imidazole and NHC-Carbene based Coordination Architectures and Their Applications
Modern-day chemistry demands novel molecular materials having aesthetically pleasing structures along with fascinating chemical and physical properties. New synthetic strategies have been applied for structural modulation ... -
Studies on BODIPY-conjugates of Copper and Zinc for Cellular Imaging and Photodynamic Therapy
Cancer is a dreadful disease that occurs due to the uncontrolled division of abnormal cells. Though there are different therapeutic modalities available for cancer, chemotherapy is considered as the most practiced method. ... -
Synthesis of Amyloidogenic Peptides and Endosomolytic Peptides for Functional and Intracellular Protein Delivery Studies.
Over the past few decades, peptide research gained lot of prominence due to their extensive usage in and across domains ranging from biomedical to bio-material science. This thesis deals with two different types of peptides ... -
Aqueous Binary Mixtures: A Study Using NMR Measurements and ab initio Molecular Dynamics Simulations
Binary mixtures having a combination of hydrophobic and hydrophilic groups, such as waterdimethyl sulfoxide (DMSO), water-methanol, water-ethanol, water-tertiary butyl alcohol (TBA), water dioxane, and water-glycerol, ... -
Theoretical Studies on Excited-State Photodynamics: N-H Dissociation in Aniline and Intermolecular H atom Transfer in the 2-Amino Pyridine Dimer
DNA is composed of light-absorbing molecular units like adenine, guanine, thymine, cytosine, etc. It is well-known that DNA as a whole is photostable upon exposure to sunlight. The photostability of biomolecules suggests ... -
Microwave Rotation-Tunnelling Spectroscopic and Theoretical Studies on Weakly Bound Molecular Complexes: Intermolecular Bonding across the Periodic Table
Intermolecular interactions appear to be well understood in a broad sense today; at a deeper molecular level, it is still evolving. Spectroscopy in this isolated state proved to be a first step toward understanding the ... -
Development and Evaluation of Plasma Electrolytic Oxidation Coatings for Spacecraft Applications
Spacecraft structures are often fabricated out of light weight materials in order to reduce the overall mass, thereby reducing the launch cost and/or increasing the payload capability. Aluminium alloys, especially AA6061, ... -
Design and Development of Proteasome Activity Modulators: A Novel Strategy for the Treatment of Diabetes Mellitus
Design and Development of Proteasome Activity Modulators: A Novel Strategy for the Treatment of Diabetes Mellitus Abstract The ubiquitin-proteasome system (UPS) is the major pathway for degradation of the intracellular ... -
Zeolitic Imidazolate Framework (ZIF-8) Supported Nanoparticles: Synthesis and Applications
Nanoparticles have gained great interest in various fundamental and applied areas of science and technology due to their tunable size dependent properties which is not achievable by their bulk counterparts. Nanoparticles ... -
Sol-gel based organic-inorganic hybrid coatings for corrosion protection of aerospace aluminium alloy
Aluminium metal is known for its high electrical conductivity, thermal conductivity and high reflectivity. Aluminium alloys of 2XXX series, particularly the 2024 alloy with the quaternary Al–Cu–Mg–Mn composition are widely ...