Browsing Solid State and Structural Chemistry Unit (SSCU) by thesis submitted date"2018"
Now showing items 1-10 of 10
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Co-solvent Induced Protein Collapse and Folding
An unfolded protein under favorable conditions navigates its complex energy landscape on a time scale of milliseconds to seconds and folds into a specific three dimensional structure. The mechanism of protein folding is ... -
Cocrystallization Studies Extending from Small Molecules to Proteins: a) Cocrystals, Salts and Eutectics, b) Chemical, Structural and Biological Evaluation of Anthrapyrazolones as Inhibitors of JNK proteins
In summary, we have designed and synthesized three halogenated derivatives of 1,9- pyrazoloanthrone. The involvement of halogen bonding provides highly directional interactions in the binding pocket and hence demonstrates ... -
Computational Studies of Hydrophobic Force Law, Dynamics in Model Asymmetric Binary Mixtures, and Contribution to One and Two Dimensional Infrared Spectroscopy
Depending on the system and phenomena of interest, the thesis has been partitioned into three major parts. The first part is on the theoretical infrared spectroscopic studies and vibrational phase relaxation of supercritical ... -
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 ... -
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 ... -
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 ... -
Metal Sulphide Based Semiconductors for Solar Photon Energy Harvesting
Sun light is a relatively infinite source of energy available on the earth compared to all other renewable and non-renewable energy sources put together. Harvesting solar photons in an effective and efficient manner can ... -
Molecular Dynamics Studies of Diffusion in Confined Regions
Diffusion of guest molecules under confinement of zeolites shows many interesting properties due to guest-host interactions. This thesis explores some of these interesting behaviours relating to the diffusion of guest ... -
A Study of Photophysics and Photochemistry of I-III-VI2 Nanocrystals
This thesis, entitled “A Study of Photophysics and Photochemistry of I-III-VI2 Nanocrystals” primarily deals with the properties of I-III-VI2 semiconductor nanocrystals composed of earth abundant, environmentally benign ... -
Tuning crystal structures with weak interactions: From solid solutions to stoichiometric cocrystals
This thesis shows that when two organic compounds A and B are cocrystallized and the A∙∙∙B interactions are neither completely isotropic nor anisotropic enough to cause the formation of a stoichiometric cocrystal AxBy, ...