Browsing Division of Chemical Sciences by Title
Now showing items 1-20 of 950
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2,3-Dideoxy Sugars in Glycoconjugations and Cyclic Oligosaccharide Synthesis
2,3- Dideoxy sugars are versatile synthons for organic synthesis. The applications are diverse in biological systems and organic synthesis. In the first part of the thesis, 2,3-unsaturated sugars are used for the ... -
3D printing for biomedical applications: Hybrid nanoparticle reinforced hydrogels for soft tissue regeneration and bone flaps for cranial reconstruction
This dissertation focuses on the quantitative insights into process v science behind the development of tissue-engineered grafts using additive manufacturing (AM) technology. Additive manufacturing, commonly referred to ... -
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, ... -
Ab-initio Modeling and Designing of Materials for Thermoelectrics, Optoelectronics and High Temperature Applications
Designing a material for a particular application requires an atomistic understanding of its properties. Recent development in first principles methods and supercomputing speeds has enabled researchers to compute materials ... -
Accelerated search for thermoelectric and topological materials using first-principles and machine learning
In summary, we have performed first-principles calculations to study the topological phase transitions in chalcopyrite compounds as a function of hydrostatic pressure. These compounds are topological insulators in the ... -
Accelerated Search of Catalysts Using Density Functional Theory and Machine Learning
The need for clean and renewable energy resources has propelled the interest in designing new catalysts producing energy from renewable resources and alternate cleaner fuels such as hydrogen, methane, ammonia, ethylene, ... -
Achieving Efficiency and Specificity in Multifarious Systems for Anti-cancer Gene Therapeutics
The research work described in this thesis encompasses the syntheses, characterization and bioactivity determination of various novel systems crafted for achieving high efficacy and targeted gene therapeutic effect in ... -
Addressing Subtle Physicochemical Features Exhibited by Molecular Crystals Via Experimental and Theoretical Charge Density Analysis
(2018-06-19)The thesis entitled “Addressing subtle physicochemical features exhibited by molecular crystals via Experimental and Theoretical Charge Density Analysis” consists of five chapters. An introductory note provides a brief ... -
Addressing the Challenges in Designing of Efficient Thermoelectric Materials
Thermoelectric materials offer applications in conversion of waste heat to useful electrical energy and are promising sources of renewable energy. To use a material efficiently in thermoelectric application it is necessary ... -
Alkynones Derived from Tartaric Acid : Efficient Building Blocks for the Synthesis of Macrolactone Natural Products
(2018-07-05)The thesis describes the synthesis and application of various alkynones derived from the bis-Weinreb amide of tartaric acid in the total synthesis of macrolactone natural products. The thesis is divided into three sections. ... -
Alluaudite Battery Chemistry: Design and Exploration
Being one of the most promising technologies in human history, lithium-ion batteries (LIBs) have empowered our lives since their commercialization in 1991 by SONY®. However, all these applications need massive production ... -
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 ... -
Allylic Halogenation Route to Latent-Active Trans-Glycosylation of Allyl Glycoside Donors
Allylic halogenation of allyl glycosides as a new route to allyl glycoside donors in glycosylations is investigated in this thesis. Allyl functionality is one of the commonly adopted protecting groups to hydroxyl groups ... -
Analysis Of Intermolecular Interactions In Pharmaceutical Salts And Cocrystals
(2013-07-17)The studies on cocrystals and salts presented in the the chapters clearly bring out the influence of intermolecular interactions as the main evaluators of the cocrystal-salt regime. The observations made in Chapter 2 ... -
Analytical Applications of Bile Acid-derived Soft Materials
Supramolecular gels are soft materials with solid-like properties such as supporting weight and retaining shape; and some liquid-like features which make them injectable, printable, etc. On the other hand, lanthanide-based ... -
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 ... -
Anodized Zirconia Nanostructures
(2018-05-01)Electrochemical anodization is a facile technique to synthesize ordered oxide nanostructures. Though the number of materials exhibiting anodized nanostructures has increased considerably in the recent years, only nanoporous ...