Division of Chemical Sciences: Recent submissions
Now showing items 181-200 of 934
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Design and Application of Self-Assembled Coordination Cages for Catalysis and as Drug Carrier
In summary the present thesis accounts for the design and synthesis of various coordination cages formed through the self-assembly reaction of the newly designed pyridine and pyrimidine based ligands with various 90° ... -
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 ... -
The Structural Chemistry of Boron, Borospherenes and Borophenes: A Computational Study
Structural complexity is one of the characteristics of boron chemistry. The 3D solids formed from icosahedral B12 units is thought of as most favorable arrangement for boron allotropes. However, recent discoveries in this ... -
Investigation on AxMn3O7 Class of Layered Oxides as Versatile Battery Cathodes: Structure and Electrochemistry
Rechargeable battery technologies have been the spotlight of global scientific research in the quest to address steadily growing energy demand. Currently, Li-ion batteries have unanimously occupied consumer electronic ... -
Blue and Red Shifting H-Bonding in X−H···Y(X=C, O: Y = O, N, S) Complexes: A Gas Phase FTIR and ab initio Study
Regular H-bonding is essential for sustenance of many chemical and biochemical processes and has been investigated thoroughly since its discovery in the 1920’s. However, experimental finding of blue shifting of X-H stretching ... -
Fabrication, micro-computed tomography based quantitative 3D microstructure evaluation of 3D printed bioceramic scaffolds and FE modelling of biomedical implant prototypes
In summary, this thesis provides the following outcomes: a) Formulation of novel powder-binder combination for 3D powder printing of resorbable bone-tissue scaffold. b) The effect of post-processing approach on the macro ... -
Molecular Construction Using Carbene and Diboron Systems: Catalytic Transformation of C-C and C-Hetero Atom Bonds
The thesis presents an unconventional approach for the molecular construction using carbenes as the carbon source, and water as the hydrogen source. A gold-catalyst has been used to transfer the carbenes to effect ... -
Alluaudite Class of High-Voltage Cathodes for Sodium-Ion Battery Applications: A Synthesis, Structure, Property Correlation Study
The work presented in this thesis demonstrates alluaudites as a niche class of compounds forming the rich treasure house of sodium insertion hosts. The potential of this open frame-worked alluaudites is immense and ... -
Design and Synthesis of Cyclic Diselenides and Selenenyl Sulfides for Biomimetic Applications
Hydrogen peroxide (H2O2) plays important roles in cell signaling and redox reactions. However, elevated levels of H2O2 and organic peroxides induce oxidative stress, resulting in damage to biomolecules such as DNA, ... -
High-Resolution Charge Density Studies on Electronic Nature of Weak Interactions and Correlation of Molecular Conformation with Packing in Solid State
The thesis entitled “High-Resolution Charge Density Studies on Electronic Nature of Weak Interactions and Correlation of Molecular Conformation with Packing in Solid State” consist of five chapters. Chapter 1 is a brief ... -
Protein Folding, Function and Aggregation Role of Co-solvents and Topological Frustration
Proteins are biological macromolecules formed by sequentially joining natural amino acids through peptide bonds. The sequence of amino acids in a protein chain determines its three dimensional structure under physiological ... -
The Effect of Gamma Radiation on Protein Structure and Dynamics
Gamma radiation being the most energetic form of electromagnetic radiation has applications in number of different fields such as in medicine for treating cancer, food sterilization and in astronomy for studying phenomenon ... -
Interpretation of 2-Dimensional NMR spectra of small molecules
Nuclear Magnetic Resonance (NMR) spectroscopy has had an enormous effect in numerous areas of chemistry, biology, and medicine. Nuclear Magnetic Resonance (NMR) Spectroscopy is a unique analytical technique that permits ... -
Oxidation of CO Catalysed by Nanometric Mono and Bi-Noble Metals on Various Oxide Supports
Air pollution results mainly from the injurious smoke emitted by cars, buses, trucks, factories etc. This smoke contains carbon monoxide, unburned hydrocarbons and oxides of nitrogen and sulphur. In case of cars, catalytic ... -
Structure - Property Correlation in MA1-yFAyPbX3 (X = I, Br) Perovskites
Hybrid Organic-Inorganic Lead Halide Perovskites (HOIP) are represented by APbX3, where A is the methylammonium cation (MA: (CH3NH3)+) or the formamidinium cation (FA: (CH(NH2)2)+), X is halide anion. HOIP have emerged as ... -
Exploring Topological Phases of Matter using Density Functional Theory and Machine Learning Approaches
Topological phases of matter such as topological insulator (TI), quantum anomalous Hall insulator (QAHI), nodal line semimetal (NLSM), and triple point metal (TPM) can be realized by manipulating the spin-orbit coupling ... -
From collective relaxation phenomena to phase separation in binary mixtures and some contributions to the hydration dynamics in the vicinity of biologically active molecules
The thesis presents detailed results of theoretical analyses based on extensive computer simulation studies with an aim to explore, quantify whenever possible, and understand the collective excitations, relaxation processes ... -
Platinum(II)-BODIPY Conjugates for Organelle Targeted Photodynamic Therapy in Red Light
The serendipitous discovery of Cisplatin (CP, Peyrone's chloride) as an anticancer agent in 1965 by Barnett Rosenberg led to the evolution of other platinum-based anticancer drugs, namely, Carboplatin in 1989 and Oxaliplatin ... -
Design of Novel Protocols for Chiral Analysis and Exploring Hydrogen Bond Directed Conformations
The research work reported in this thesis is focused on the chiral analysis and exploring hydrogen bonding. In chiral analysis, the study is aimed at the introduction of new versatile chiral solvating agents (CSA) and also ... -
Engineered Nanomaterials: Array-based Sensing of Biological and Chemical Analytes
Array-based sensing, also known as chemical nose/tongue analysis, offers an alternative platform for simultaneous differentiation of a wide range of analytes using a fixed number of cross-reactive receptors. The sensor ...