Division of Chemical Sciences: Recent submissions
Now showing items 241-260 of 979
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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 ... -
Cobalt-nhc Complexes and Diazabutadienes in Activation of Mono/Diboron Compounds and Their Application in C-b Coupling Reactions
Boronic acid(esters) have been well recognized as an indispensable coupling partner in the Suzuki-Miyaura cross coupling reactions producing a vast spectrum of molecules, applicable in the diverse field ranging from medicinal ... -
Manipulation of Spin Dynamics and Multifaceted Applications of NMR Spectroscopy to Small Molecules
The investigations have been carried out in the thesis entitled as “Manipulation of Spin Dynamics and Multifaceted Applications of NMR Spectroscopy to Small Molecules” to address the challenging problems encountered in ... -
Determining Functional Parameters of Hybrid Catalysts for Sustainable Energy Storage and Conversion Applications
Generating global-scale sustainable energy systems and preserving our environment for the future at the same time are the biggest challenges. Therefore, the search for diverse energy sources which will reduce our dependency ... -
Construction of C-C bonds by C-H Activation: Rh(III)-Catalyzed reactions of Arenes and Heteroarenes with Maleimides and Allylic Alcohols
The thesis presents a few Rh-catalyzed C-H activations for the construction of C-C bonds. The difficulty of substitution or the arylation at the maleimide's double bond under C-H activation conditions prompted a detailed ... -
Novel and Fundamental Studies of Separation Methods Leading to Very High Degree of Separation of Molecular Mixtures and Related Studies
Separation of molecular mixtures will often require in chemistry, biology, physics and material science. Existing methods of separation can at best yield a separation factor of 10^4 . They also incur huge expenditure of ... -
Design of Novel NMR Methodologies to address diverse challenging problems in Chemistry
The thesis entitled “Design of Novel NMR Methodologies to address diverse challenging problems in Chemistry” discusses the design of number of novel NMR methodologies which have broader utility and, also the extensive ... -
Layered Metal Dichalcogenides-Based Hybrid Devices for Resistive Sensing
During the past few decades, photodetectors (PDs) are being regarded as the crucial components of many photonic devices which are being used in various important applications. However, the PDs based on the traditional bulk ... -
Mechanistic Insights for Controlling Electromagnetic Interference Shielding Through Microwave Absorption in Magnetic Composites
Extensive use of electronic devices in daily communication and information technology causes high (microwave) frequency electromagnetic interference (EMI). This EMI often leads to noise, data misinterpretation or malfunctioning ... -
Total synthesis of the macrolactone core of migrastatin, formal synthesis of (+)-ratjadone A, and towards the synthesis of sphingofungin F
The thesis entitled “Total synthesis of the macrolactone core of migrastatin, formal synthesis of (+)-ratjadone and Towards the total synthesis ofsphingofungin F” is divided into three chapters and an appendix highlighting ... -
Low Power Resistive Photon- and Gas- Sensors
Sensors, be it for temperature, pressure, acoustic, light or gas to name a few have become an indispensable part of human life. Light sensors or photodetectors have widespread usage in modern portable electronics as camera ... -
Overcoming Challenges Associated with Designing of Thermoelectric Materials: DFT and Machine Learning Approaches
Search for clean and renewable energy resources has driven recent interest in designing thermoelectric materials that convert the waste heat to useful electricity. High performance thermoelectric materials require excellent ... -
Structural and Solvent Effects on Excited State Dynamics of Rhenium(I) Tricarbonyl α-Diimine Complexes: A Time-Resolved Spectroscopic and Computational Study
The nature of the lowest excited state in rhenium(I) complex with 1,10-phenathroline as ligand was first reported by Mark Wrighton and David. L. Morse. Since then many rhenium(I) complexes with different ligands having ... -
Synthesis and Functionalization of Carbon and Sulfur-based Nanomaterials: Physical Properties and Molecular Recognition
In recent years carbon-based nanomaterials are growing rapidly in the field of science and technology, due to the tunable optical and physical properties such as electronic arrangement, photostability, flexibility and ... -
Electrochemical and Spectroscopic Investigations of Some Redox Active Biomolecules
The thesis attempts to ask a few questions related to heme electrochemistry and provide possible answers to these in terms of experimental results obtained and reported in the current literature. It is expected that the ... -
Ethylene Glycol in the Liquid State: Structure, Conformation and Dynamics - A Study Using Ab Initio Molecular Dynamics Simulations
Ethylene glycol (EG) is an important organic molecule with unique properties and a wide range of applications. The EG molecule shares a structural motif with many biomolecules and serves as a part of the training set for ...