Browsing Solid State and Structural Chemistry Unit (SSCU) by Subject "Research Subject Categories::NATURAL SCIENCES::Chemistry::Other chemistry"
Now showing items 1-17 of 17
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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 ... -
Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems
The thesis is entitled as "Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems ". The research work reported in this thesis is mainly carried out in two directions. The initial focus ... -
Electronic, Magnetic and Local structure of Some Selected Strongly Correlated Systems
According to independent electron band structure theories, transition metal oxides (TMOs) with partially filled 3d valence band are predicted to be metallic in nature. Though in reality, most of them are insulators. Mott ... -
Enabling Lithium Metal Anode for Garnet Electrolyte based Solid State Batteries
Solid-state lithium metal batteries (SSLMB) employing inorganic solid electrolytes (ISE) in conjunction with lithium metal anode and intercalation cathode are considered among the most promising alternatives for Li-ion ... -
Investigating the Role of Domain Swapping in Aggregation of Globular Proteins
The broad objective of this thesis involves computationally modeling protein aggregation with special emphasis on the role of cosolvents and misfolded states. Chapter 1 contrasts the effect of biologically relevant co-solvents ... -
Investigation of Weak Molecular Interactions by Multinuclear NMR Spectroscopic Techniques and Theoretical Computations
The work reported in this thesis contains extensive studies carried out to investigate the weak molecular interactions in small organic molecules by utility of multinuclear and multidimensional NMR spectroscopic techniques ... -
Local Structural Investigations of Composition-driven Changes in Inorganic Solid Solutions
A smaller sized dopant replacing a larger sized element in a compound creates chemical pressure, resulting in a contraction of the lattice parameter and likewise a “negative” pressure is created by substitution of larger ... -
Mechanistic Understanding of Organic Solar Cells: A Detailed Investigation on Role of Förster Resonance Energy Transfer, Dielectric Constant and Exciton Dynamics
Organic solar cells (OSC) have been emerging as promising energy harvesting technology because of their low-cost fabrication, semitransparency, solution processability and ability to be produced in large scale using ... -
Metal Ion Mediated Riboswitch Folding and Cognate Ligand Sensing
Riboswitches are noncoding RNA molecules that can control gene expression upon cognate ligand binding. Riboswitches are primarily present in bacteria and are crucial for bacteria's survival, which makes riboswitches ... -
Minerals to Functional Materials: Comprehensive Evaluation of Vanthoffites and Related Materials towards Futuristic Multifunctional Applications
The thesis provides a systematic investigation of materials derived from different mineral species such as vanthoffite and related minerals structures. Search of new multifunctional materials continues to be a challenge ... -
Modeling Magnetic Anisotropy in Single Chain Magnets
This thesis embodies work on modeling magnetic anisotropy in molecular magnets. Understanding the factors that govern the magnitude of anisotropy in these materials is crucial for tailoring molecules that can be used in ... -
Phase Modulated Selective NMR Methods for resolving overlapping spin systems and rapid data acquisition : Application in metabolomics
research work is focused on the development of new fast solution NMR methods for resolving overlapping spin systems and their application to NMR based metabolomics. In this work two new solution NMR pulse sequences are ... -
Studies on Nanostructured Transition Metal Oxides and Related Composites for Supercapacitor Electrodes
Supercapacitors have acquired considerable scientific and technological position in energy storage field owing to their compelling power capability, good energy density, excellent cycling stability and ideal safety. ... -
A Study of Synthesis and Optoelectronics of Copper Iron Chalcogenide Nanocrystals
Copper iron chalcogenides constitute a promising class of optoelectronic materials courtesy of their narrow bandgaps and earth abundant constitution. However, they are yet to receive the attention they deserve due to the ... -
Supramolecular Self-assembly of Diketopyrrolopyrrole with Emergent Photophysics and Unprecedented Photoconductivity
Structural fluctuation in organic molecular semiconductors often plays a key role in fragmenting the conducting pathways even in their condensed phases due to the large fraction of free volumes, acting as trap sites for ... -
Synthesis, Structure, Optical, SHG and Multiferroic Investigations on Compounds derived from Mineral Structures
The present thesis provides a systematic investigation of compounds derived from different mineral structures. The compounds were explored for their optical, visible light-activated photocatalysis, Second Harmonic Generation ...