Browsing Inorganic and Physical Chemistry (IPC) by Title
Now showing items 1-20 of 303
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Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions
(2018-08-11)Knowledge of the dissociation constants of the ionizable protons of weak acids in aqueous media is of fundamental importance in many areas of chemistry and biochemistry. The pKa value, or equilibrium dissociation constant, ... -
Analytical models of selected stochastic processes in condensed phase systems
This thesis is a record of the research I have carried out over the last five years to understand a selection of problems in the broad area of single-molecule physics. These problems cover four broad themes: (i) dynamically ... -
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 ... -
Ancillary Ligand Effects On The Anticancer Activity Of Ruthenium(II) Piano Stool Complexes
(2011-01-17)The thesis “Ancillary Ligand Effects on the Anticancer Activity of Ruthenium (II) Piano Stool Complexes” is an effort to design better antitumor metallodrugs based on ruthenium(II) complexes with various H-bond donor/acceptor ... -
Anomalous Diffusion in a Rearranging Medium Diffusing Diffusivity Models
Diffusion processes, because of their applications to a wide range of phenomena, have been a subject of great scientific interest ever since Einstein formulated the celebrated theory of Brownian motion. Brownian motion is ... -
Antioxidant Activity Of The Anti-Inflammatory Compound Ebselen And Its Analogues : Role Of Nonbonded Interactions
(2010-10-05)Although considered as a poison for long time, the importance of selenium as an essential trace element is now well recognized. In proteins, the redox active selenium moiety is incorportated as selenocysteine (Sec), the ... -
Aqueous and Non- aqueous dispersions of MoS2 Nanosheets
The focus of this thesis is an attempt to provide a molecular perspective of the interactions of solvent and ligand molecules with sonication assisted exfoliated MoS2 nanosheets in aqueous and non-aqueous dispersions. In ... -
Aqueous and Non-aqueous Dispersions of Graphene and Boron Nitride Nanosheets : NMR Measurements and Molecular Dynamics Simulations
Preface Ever since the discovery of graphene in 2004, there has been considerable interest in two dimensional (2D) nanomaterials due to their distinctive properties and the prospect of potential applications. A ... -
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, ... -
Aqueous Dispersions of Graphene Oxide, Reduced Graphene Oxide and Functionalized Graphene Oxide
(2018-01-29)Graphene sheets, one atom thick, two dimensional layers of carbon atoms, have gained enormous importance over the past few years due to their unique attributes - high electronic, thermal conductivities and exceptional ... -
An Architectural Exploration in Coordination Driven Self-Assembly & Fluorescent Imidazolium Salts as Picric Acid Receptors
(2017-10-11)Nature has always remained a constant source of inspiration for chemists for synthesizing natural products, mimicking enzymatic reactions or to construct molecular architectures resembling biological assemblies. With the ... -
Aspects Of The Chemistry Of Iron Complexes Showing DNA Photo-cleavage Activity
(2010-12-30)The present thesis deals with different aspects of the chemistry of iron complexes, their interaction with DNA and photo-induced cleavage of double-stranded DNA. Chapter I presents a general introduction on metal-based ... -
Aspects Of The Chemistry Of Oxovanadiulm(IV) Complexes Showing Photo-Induced Cytotoxicity And DNA Cleavage Activity
(2011-07-08)The present thesis deals with different aspects of the chemistry of oxovanadium(IV) complexes, their interaction with DNA and protein and photo-induced DNA and protein cleavage activity and photocytotoxicity. Chapter I ... -
Atto-second Dynamics in Molecular Systems
The thesis describes the attosecond dynamics of small molecular systems, focusing on ionization delay times and hole migration delay times. These time delays are some of the fastest events in electronic dynamics. When an ... -
B, N containing π- conjugated systems: room temperature phosphorescence, fullerene complexation, and cell differentiation
Advances in heteroatom (B, N, and B-N) incorporated π-conjugated systems have attracted considerable attention because of their desirable properties and widespread applications. Substitution of isoelectronic B–N units for ... -
Binding, activation, and oxidative addition of dihydrogen using Ir-pincer systems and implications in hydrogenation catalysis
Binding of unreactive small molecules, such as H2, N2, CO2, CH4, etc. on a transition metal center and their subsequent activation are fundamental problems that have been extensively studied in organometallic chemistry for ... -
Bio-inspired Materials : Antioxidant and Phosphotriesterase Nanozymes
(2018-01-28)Bio-inspired or biomimetic chemistry deals with the replication of the nature’s fundamental processes, which can help in understanding the functioning of biological systems and develop novel applications. Although a large ... -
Biomimetic Studies On Anti-Thyroid Drugs And Thyroid Hormone Synthesis
(2009-05-22)Thyroxine (T4), the main secretory hormone of the thyroid gland, is produced on thyroglobulin by thyroid peroxidase (TPO)/hydrogen peroxide/iodide system. The synthesis of T4 by TPO involves two independent steps: iodination ... -
Biomimetic Studies on Tyrosine- and Phenolate- Based Ligands and their Metal Complexes
(2017-11-14)Tyrosine (4-hydroxyphenylalanine) is one of the naturally occurring 22 amino acids. The importance of tyrosine is due to the presence of its phenolic side chain. In biological systems, the tyrosyl residue in proteins is ...