A5102839402- Supramolecular Self-Assembly in Materials
- Chemical Synthesis and Analysis
- Fractal and DNA sequence analysis
- Oxidative Organic Chemistry Reactions
- Polydiacetylene-based materials and applications
- Synthesis and biological activity
- Machine Learning in Bioinformatics
- Mesoporous Materials and Catalysis
- Protein Structure and Dynamics
Indian Association for the Cultivation of Science
2024-2025
Computational modelling of self-assembly mechanisms is a promising way to establish chemically meaningful relationships between molecular structures the building blocks and final outcomes spontaneous assemblies. However, such connections are not immediately apparent, due presence complex interplay involving multitude intermolecular interactions with complicated temporal variations. In this paper, we propose method called analysis multidimensional chemical interaction space (TAMCIS), which...
Complex pathways in spontaneous molecular assemblies have been envisaged to be crucial factors determining diverse outcomes desirable for materials design. Computer simulations can instrumental elucidating early stages of the assembly process, where direct experimental observations are difficult obtain. In this paper, we report a computational study on pathway complexities aqueous mixtures hydrophobic tripeptides that self-assemble into amorphous nanoscale objects. We introduce new...
Computational modeling of self-assembly mechanisms is a promising way to establish chemically meaningful relationships between molecular structures the building blocks and final outcomes spontaneous assemblies. However, such connections are not immediately apparent, due presence complex interplay involving multitude intermolecular interactions with complicated temporal variations. In this paper, we propose method, called Temporal Analysis Multidimensional Chemical Interaction Space (TAMCIS),...
Molecular self-assembly has garnered significant attention in the field of biomaterials and nanotechnology due its potential for creating novel materials with diverse applications. The entire process is guided by either classical nucleation growth or formation multiple nucleus their finally fusion self- assembled states. Systematic way to track this nucleation, still unknown. We have developed an algorithm systematically identify all possible molecular events. events provide immediate...
Abstract Das Hydrazon (III) wird zum Tetrahydrocarbazol (IV) cyclisiert, das nach Wolff‐ Kishner‐Reduktion zu (V) Carbazol (VIa) aromatisiert wird.