Bhaskar, Srilakshmi P
Recent advancements in nanotechnology and emerging applications of nanomaterials in various fields have stimulated interest in fundamental scientific research dealing with the size and structure controlled synthesis of nanoparticles. The unique properties of nanoparticles are largely size dependent which could be tuned further by varying shape, structure, and surface properties, etc. The preparation of monodisperse nanoparticles is desirable for many applications due to better control over properties and higher performance compared to polydispersity nanoparticles. There are several methods for the synthesis of nanoparticles based on top-down and bottom-up approaches. The main disadvantage of top-down approach is the difficulty in achieving...
Venkatraman, Ravi Kumar
Solvent effects play diverse roles in myriads of chemical, physical and biological processes. The solvent interacts with the solute by: i) non-specific (Coulombic, van der Waals interactions) and ii) specific interactions (hydrogen bonding, etc.). These interactions are responsible for solvation of the solute and are collectively termed as “solvent polarity”. Differential solvation of ground and excited electronic states is manifested in the absorption spectrum as a change in the band position, intensity or shape, which is termed as “solvatochromism”. Intermolecular hydrogen bonding (IHB) is a kind of specific solute-solvent interaction, which plays a key role in molecular or supramolecular photochemistry,...
Anju, V G
Global warming and depletion in fossil fuels have forced the society to search for alternate, clean sustainable energy sources. An obvious solution to the aforesaid problem lies in electrochemical energy storage systems like fuel cells and batteries. The desirable properties attributed to these devices like quick response, long life cycle, high round trip efficiency, clean source, low maintenance etc. have made them very attractive as energy storage devices. Compared to many advanced battery chemistries like nickel-metal hydride and lithium - ion batteries, metal-air batteries show several advantages like high energy density, ease of operation etc. The notable characteristics of metal...
Penki, Tirupathi Rao
Lithium-ion battery is attractive for various applications because of its high energy density. The performance of Li-ion battery is influenced by several properties of the electrode materials such as particle size, surface area, ionic and electronic conductivity, etc. Porosity is another important property of the electrode material, which influences the performance. Pores can allow the electrolyte to creep inside the particles and also facilitate volume expansion/contraction arising from intercalation/deintercalation of Li+ ions. Additionally, the rate capability and cycle-life can be enhanced. The following porous electrode materials are investigated.
Poorly crystalline porous -MnO2 is synthesized by hydrothermal route from a neutral aqueous...
Thyroid hormones (THs; T4 and T3), secreted from thyroid gland, play an important role in human growth and development. T3 (3,5,3′-triiodothyronine) is the active hormone and the conversion of T4 (3,3′,5,5′-tetraiodothyronine) to T3 in cells is mediated by iodothyronine deiodinases enzymes (DIOs). DIOs are selenocysteine containing enzymes and are classified into three types (DIO1, DIO2 and DIO3). DIO1 catalyzes the outer-ring deiodination (ORD; T3 formation) and inner-ring deiodination (IRD; rT3 formation) reactions, involving in the activation (T4 to T3 conversion) and inactivation (T4 to rT3 conversion), respectively. DIO2 and DIO3 catalyse the ORD and IRD reactions, respectively. This homeostasis is...
The thesis work delineates the rational design and successful syntheses of platinum (II) complexes for achieving light promoted dual action anticancer properties. The research work focuses on the syntheses, elaborate characterization including crystallization and mechanistic aspects of photodegradation processes. Theoretical studies were done to elucidate the properties of the excited states. The interaction of active Pt (II) species with DNA is also explored. The cellular studies include evaluation of the photo-induced cytotoxicities, mode of cell death, nature of reactive oxygen species (ROS), quantification of cellular Pt content and cellular and sub-cellular localization of the complexes.
Chapter I provides an overview of...
Block copolymers can self-assemble into a variety of periodic nanostructures and therefore, are promising candidates for a diverse range of applications. While self-assembly of block copolymers has been widely studied and exploited, graft copolymers have remained far less explored in this context. One of the primary reasons for this is that the most commonly used methods to prepare graft copolymers leads to polymers that do not have precisely defined structures; specifically, controlling the precise location of the grafted segments is a synthetically difficult challenge.
In typical chain polymerization processes, statistically random incorporation of monomers takes place and consequently, the periodicity...
In recent years, there has been an increasing interest on renewable energy sources as substitute to fossil fuels. Among various processes of energy generation, electrochemical methods such as storage and conversion systems, electrolysis of water (production of H2 and O2), fuel cells, batteries, supercapacitors and solar cells have received great attention. The core of these energy technologies is a series of electrochemical processes, which directly depend on the nature of ‘electro catalyst’. The design and preparation of an electro catalyst is based on new concepts such as controlled surface roughness, atomic topographic profiles, defined catalytic sites, atomic rearrangements, and phase...
Arun Kumar, P
Nucleophilic additions are an important class of reactions in the preparation of several organic compounds. Metals facilitate nucleophilic additions in many cases. The present work Mechanistic Investigation of Metal Promoted Nucleophilic additions is an attempt to understand the mechanism of nucleophilic additions to imines and carbonyl compounds mediated by the transition metal complexes. Understanding the mechanism of metal promoted nucleophilic additions can facilitate the design and synthesis of more efficient catalysts.
Chapter 1 provides a brief introduction to nucleophilic addition. A few named reactions that involve nucleophilic addition are described. An overview of the metal promoted nucleophilic addition reactions and...
Nanoporous metal represents a particular form of a metal, which combines the characteristics of metals, such as good thermal and electrical conductivity, catalytic activity with the materials properties characteristic of nanoporosity, which include high surface area, low density, large number of pores, etc. Nanoporous metals have applications in various fields such as catalysis, hydrogen storage, electrochemical sensing, membranes, SERS, and supercapacitors. The three dimensional porous structures offer high specific surface area and large pore volumes, which enhance substrate diffusion within the porous structures and provide a large number of surface active sites for catalytic applications. However, synthesis of nanoporous metal...
Significant developments have been made in the field of C–H activation. However, various disadvantages, mainly low reactivity and selectivity, limit their usage in large-scale synthesis. It is crucial to understand the mechanisms and the nature of the transient species involved in the C–H activation paths to develop effective catalytic routes for homogeneous C–H functionalization reactions. Computational techniques are employed in this study to throw light on these processes.
Chapter 1 briefly introduces C–H activation and functionalization reactions. After classifying the reactions on the basis of mechanisms, computational studies on the mechanisms of C–H activation reactions are described. The challenges involved...
Tyrosine (4-hydroxyphenylalanine) is one of the naturally occurring 22 amino acids. The importance of tyrosine is due to the presence of its phenolic side chain. In biological systems, the tyrosyl residue in proteins is found to be sulfated, phosphorylated and nitrated. Upon oxidation with dioxygenases, Tyr residue forms dopaquinone which undergoes a series of reactions ultimately leading to the formation of melanin. Tyr is also a precursor to neurotransmitters (catechol amines namely dopamine, epinephrine and norepinephrine) and thyroid harmones T4 and T3. Tyr residue is also found to be cross linked with other amino acid residues in the active site...
Biological systems have the incredible ability to accomplish uncommon chemical transformations with supreme delicacy. Many of those chemical transformations take place within the pocket of enzymes, which provide unique micro environment. From the quest of better understanding and to mimic such complex biological systems chemists have developed their own prototypes having well-defined cavity. To this end, in last few years many aesthetically elegant 3D discrete architectures have been devised by employing noncovalent interactions especially metal-ligand co-ordination and hydrogen bonding. Conversely, architectures based on purely covalent interactions are relatively limited in number, owing to the laborious traditional covalent synthesis, which involves...
Current fossil fuels (Coal and Petroleum) based economy is not sustainable in the long run because of its dwindling resources, and increasing concerns of climate change due to excessive carbon dioxide (CO2) emission. To mitigate CO2 emission and climate change, scientists across the world have been looking for clean and sustainable energy sources. Among them hydrogen gas (H2) could be more promising because it is the most clean fuel and can be produced from cheap source (water) which is renewable and abundant. Nevertheless, the bottleneck for hydrogen economy is lying in the cost of hydrogen production from water. Still there...
Nature has always remained a constant source of inspiration for chemists for synthesizing natural products, mimicking enzymatic reactions or to construct molecular architectures resembling biological assemblies. With the rapid growth of ‘Supramolecular Chemistry’ along with the advancement of the synthetic methodologies, molecular systems with brand new complexities have been synthesized, alongside the efficacy of weak, reversible non-covalent interactions have also been extensively explored. A number of such forces including hydrogen bonding, solvophobic effect, dynamic covalent interactions and metal-ligand coordination have been exploited to assemble the molecular building blocks and stitch them together to construct discrete ‘self-assembled’ architectures integrated with desired...
This thesis work is based on an investigation of intermediates involved in various metal mediated catalytic reactions such as hydrogenation, hydroboration, functionalization of methane etc. An intermediate dictates the energetics of the catalytic cycle of these reactions. Therefore, it is important to study such types of intermediates in order to design a better catalyst. These intermediates are called σ-complexes in which a σ-bond is coordinated to the metal center at some stage of the reaction coordinate. These species are rarely stable at ambient conditions which create difficulties in exploring their chemistry.
Our aim is to study the effect of ancillary...