A5059334611- Advanced biosensing and bioanalysis techniques
- Luminescence and Fluorescent Materials
- Molecular Junctions and Nanostructures
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Metalloenzymes and iron-sulfur proteins
- Viral Infections and Outbreaks Research
- Cyclopropane Reaction Mechanisms
- Molecular Sensors and Ion Detection
- Chemical Synthesis and Reactions
- Nanocluster Synthesis and Applications
- Supramolecular Chemistry and Complexes
- Organic Light-Emitting Diodes Research
- Hepatitis B Virus Studies
- Fluorine in Organic Chemistry
- Synthetic Organic Chemistry Methods
- Asymmetric Hydrogenation and Catalysis
- Viral Infections and Vectors
- Catalytic Cross-Coupling Reactions
- Surface Chemistry and Catalysis
- Metal complexes synthesis and properties
- Carbon dioxide utilization in catalysis
- Catalytic C–H Functionalization Methods
- Crystallography and molecular interactions
- Metal-Catalyzed Oxygenation Mechanisms
Saha Institute of Nuclear Physics
2024
Homi Bhabha National Institute
2024
National Chemical Laboratory
2018-2021
Academy of Scientific and Innovative Research
2019-2021
A highly regioselective, efficient, and metal-free oxidative cross dehydrogenative coupling (CDC) of aryl carbonyls with cyclic ethers has been developed. This method offers easy access to substituted α-arylated a high functional group tolerance in good excellent yields. The regioselectivity this CDC reaction was confirmed by density theory (DFT)-based calculations.
ABSTRACT The artificial metalloenzyme (referred to as Ir-Q ) reported by Hartwig and coworkers presented an important milestone in merging the extraordinary efficiency of biocatalyst with versatility small molecule chemical catalyst catalyzing a new-to-nature carbene insertion reaction. enzyme results from formal replacement Fe Ir(Me) moiety along four C317G, T213G, L69V, V254L mutations natural Cytochrome CYP119 directed evolution method. Importantly, this is show-stopper it exhibits...
The synthesis of a novel, and highly selective Fe 3+ ion sensor based on anthrone‐spirolactam its quinoline hybrid ligand is reported. designed displayed detection ions with enhanced fluorescence emission. complexation led to red shift 32 nm from 420 452 nm, several fold increase in intensity fluorescent green (detection) resulted chelation intramolecular charge transfer through the inhibition C=N isomerization. This shows high sensitivity selectivity, spontaneous response, works wide pH...
The current work showcases general principles at play in systems consisting of cations present inside molecular cages. Such systems, relevant to chemistry and biology, have been carefully investigated by computational methods. important Ge(II)-encapsulating cage studied first. very fact that such compounds exist appears highly unlikely, given the reactive nature Ge(II) dication. Our studies reveal what really occurs solution when complexes are formed: dications actually as [Ge–X]+ (where X...
The artificial metalloenzyme containing iridium in place of iron along with four directed evolution mutations C317G, T213G, L69V, and V254L a natural cytochrome P450 presents an important milestone merging the extraordinary efficiency biocatalysts versatility small molecule chemical catalysts catalyzing new-to-nature carbene insertion reaction. This is show-stopper enzyme, as it exhibits catalytic similar to that enzymes. Despite this remarkable discovery, there no mechanistic structural...
The investigation of the role electric field in systems widespread interest employing computational techniques is an emerging area research. outcome applying oriented external (OEEF) on geometric and electronic properties chemically unique π-conjugated cyclic carbon ring compounds has been explored with density functional theory (DFT). Distinct changes structural features such are observed upon application OEEFs. Importantly, calculations indicate that a mixed aliphatic-aromatic conjugated...
Monomeric iron-oxo units have been confirmed as intermediates involved in the C-H bond activation various metallo-enzymes. Biomimetic oxoiron complexes of biuret modified tetra-amido macrocyclic ligand (bTAML) demonstrated to oxidize a wide variety unactivated bonds. In current work, density functional theory (DFT) has employed investigate hydrogen abstraction (HAT) reactivity differences across series bTAML complexes. The cause for HAT energy barriers found be relative changes frontier...