A5102893070- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Inorganic Fluorides and Related Compounds
- Crystallography and molecular interactions
- Click Chemistry and Applications
- Chemical Synthesis and Analysis
- Advancements in Battery Materials
- Organic Electronics and Photovoltaics
- Fluorine in Organic Chemistry
- Phytochemicals and Antioxidant Activities
- HIV Research and Treatment
- Advanced Chemical Physics Studies
- Supramolecular Self-Assembly in Materials
- Supramolecular Chemistry and Complexes
- Free Radicals and Antioxidants
- Luminescence and Fluorescent Materials
- Synthesis and characterization of novel inorganic/organometallic compounds
- Aldose Reductase and Taurine
- Mass Spectrometry Techniques and Applications
- Computational Drug Discovery Methods
- Synthesis and Characterization of Heterocyclic Compounds
- Alzheimer's disease research and treatments
- Fullerene Chemistry and Applications
- Genomics, phytochemicals, and oxidative stress
- Synthesis and biological activity
Indian Institute of Science Education and Research Thiruvananthapuram
2018-2023
California Institute of Technology
2009-2018
Missouri University of Science and Technology
2008-2013
Hunter College
2009
City University of New York
2009
Jet Propulsion Laboratory
2009
Working toward fluoride batteries Owing to the low atomic weight of fluorine, rechargeable fluoride-based could offer very high energy density. However, current need operate at temperatures that are required for molten salt electrolytes. Davis et al. push can room temperature, through two advances. One is development a room-temperature liquid electrolyte based on stable tetraalkylammonium salt–fluorinated ether combination. The second copper–lanthanum trifluoride core-shell cathode material...
Amyloid-beta (Abeta), the major component of senile plaques in Alzheimer's disease, is known to complex transition metal ions mainly through histidine residues. In this study, using 1H NMR titration experiments, we show that binds strongly Zn(II), Cu(II), and Fe(III) at a biologically relevant pH (pH 7.4), with stoichiometry Zn(II): binding 1:2. The observed deshielding chemical shifts relative line broadening indicate Fenton-active Cu(II) bind relatively more efficiently as compared Zn(II)....
Novel fluorinated boroxines, tris(2,6-difluorophenyl)boroxin (DF), tris(2,4,6-trifluorophenyl)boroxin (TF), and tris(pentafluorophenyl)boroxin (PF), have been investigated for potential applications in lithium ion batteries through fluoride anion binding, ab initio calculations, ionic conductivity measurements. Structures of the boroxines boroxin-fluoride complexes confirmed by comparing their (19)F (11)B NMR chemical shifts with those obtained DFT-GIAO method. The stoichiometry binding to...
Null aggregates are an elusive, emergent class of molecular assembly categorized as spectroscopically uncoupled molecules. Orthogonally stacked chromophoric arrays considered a highlighted architecture for null aggregates. Herein, we unveil the exciton character in series crystalline Greek cross (+)-assembly 6,13-bisaryl-substituted pentacene derivatives. Quantum chemical computations suggest that synergistic perpendicular orientation and significant interchromophoric separations realize...
The introduction of the trialkylsilylethynyl group to acene core is known predominantly transform herringbone structure pentacene a slip-stacked packing. However, herein, occurrence an unforeseen polymorph 6,13-bis(trimethylsilylethynyl)pentacene (TMS-pentacene), with atypical γ-herringbone packing arrangement, reported. Intermolecular noncovalent interactions in are determined from Hirshfeld surface and quantum theory atoms-in-molecules (QTAIM) analyses. Furthermore, comparative truncated...
Non-covalent halogen bonding interactions are quintessential in crystal engineering for the construction of distinctive supramolecular synthons. Here, we report first crystalline evidences unique boat and chair shaped cyclic hexahalogen synthons structures α,α,α',α',4-pentabromo-o-xylene (PBX) α,α,α',α',4,5-hexabromo-o-xylene (HBX) respectively. Nature stability constituent scrutinized with help quantum-chemical calculations. Pendás' interacting quantum atoms approach confirmed Br⋅⋅⋅Br...
Architecting unique supramolecular structures requires robust and reproducible synthons. Noncovalent halogen bonding offers rich crystal packing possibilities through diverse synthons thus constitutes a useful structural domain in groups. The variations synthon patterns with bromine substitution was explored by means of analyses series bromine-substituted o-xylenes. We report an unprecedented giant cyclic Br8 fused triangular prism-like geometry formed exclusively hypervalent Br···Br...
Abstract Key reaction in the synthesis of title compounds (V) is a Cu(I) catalyzed azide alkyne Huisgen cycloaddition (click reaction).