ACS Fall 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

American Chemical Society

Professor of  Chemistry

Bioinorganic Chemistry

Self-assembling light-activated drugs for cancer imaging and therapy

Modeling of metal-binding antimicrobial peptides in lipid bilayers

Synthesis, characterization and biological activity of hybrid thiosemicarbazone-alkylthiocarbamate metal complexes

Reclassification of the NiCo riboswitch as an iron-responsive riboswitch: Discovery of a new mechanism of bacterial iron regulation

Resilience of chemistry: Transition metal organometallics can fight viral pandemics

Gallium based ciprofloxacin siderophore-conjugate with high activity against S.aureus

Discovery of a motif that is necessary and sufficient for metallocluster delivery by the cytosolic iron sulfur cluster assembly pathway

Use of thermodynamic speciation and rational ligand design towards suitable chelators for 45Ti PET imaging

Iron(II) complex with a redox-active ligand displays over a four-fold increase in its T1-weighted relaxivity upon reaction with hydrogen peroxide

Investigating the role of copper in mediating interactions between proinsulin C-peptide and serum albumin

Rationally designed hydrogen bond triad rewires redox sensing and signaling

Reversible 19F MRI multicolor probe for reductive environments

Factors influencing the competitive OH versus X transfer by nonheme FeIII(OH)(X) (X =Cl, Br) complexes to carbon radicals: A model of nonheme iron halogenases

Mechanistic analysis of superoxide dismutase mimics containing redox inactive metals and redox active ligands

Antimicrobial activity of rhodium and iridium piano stool complexes with NHC ligands

Iron and cobalt porphyrinoid superoxides: Synthesis, characterization and reactivity

Catalytic mechanisms of non-heme Fe (II) and 2-oxoglutarate dependent enzymes from computational perspective

New type of sulfonylureas as an AHAS enzyme inhibitor: Calculation in molecular docking

Studies on rigidified platinum-acridine anticancer agents

Polyphenols promote and inhibit cell survival differently under oxidative stress conditions, including normal and high-iron oxidative challenge and hypoxic challenge

Interactions of copper and copper chelate compounds with the amyloid beta peptide: An investigation into electrochemistry, reactive oxygen species and peptide aggregation

Role for low-valent Fe in small molecule activation at Fe–S clusters

N2O production from a nonheme mononuclear {FeNO}7 complex in the absence of an exogenous reductant

Mechanistic and spectroscopic studies of [FeFe] Hydrogenase model complexes

Re(I) tricarbonyl complexes as coordinate covalent inhibitors for the SARS-CoV-2 main cysteine protease

Designer metallopeptides for small molecule activation

Dual-action metal complexes for hypoxia-active photodynamic therapy

Defining the catalytic preference in complex iron-sulfur molydoenzyme (CISM) family

Heme model compound peripheral group interactions in low dielectric medium: Insight into the role of the heme a formyl in cytochrome c oxidase

Synthesis and studies of pyrrole containing crowned macrocycles

Metal- and metal oxide-based nanocomposites assembled with black phosphorus for efficient biomedical applications

From metal ions in solution to metal oxide nanoparticles: An evolving understanding of oxidative damage and antioxidant coordination

Metal ions mediate sulfur antioxidant interactions with DNA

Nitric oxide among patients recovered from COVID-19

Synthesis, characterization, and evaluation of a new class of metal photosensitizers

In situ excitation of luminescent lanthanide complexes for in vivo bioimaging

In situ excitation of lanthanide luminescence with Cherenkov radiation toward optical imaging applications

Computational insights in the structure function relationships of metalloenzymes

Synthesis of pi-expansive methoxycarbonyl derivatives of Ru metal polypyridyl complexes for photodynamic therapy applications

Using sensitized terbium luminescence to probe lanmodulin’s mechanism of lanthanide selectivity

8-Hydroxyquinoline metal-binding isosteres for metalloenzyme inhibitors

Development of bioluminescent probes for visualizing extracellular, labile copper

Effects of a high fat diet on hepatic copper metabolism

Effects of conformational dynamics and mutations on the catalytic mechanism of human TET2 enzyme

Effects of the catalytic and structural Zn(II) ions on the dynamics of MMP-1●THP complex

Structure function relationship in matrix metalloproteinase 1 bound to type I collagen derived triple helical peptide

Chalcogen bonding models of dithiazole and thiaselenazole-based nucleocapsid inhibitors

Synthesis and characterization of cobalt-based multicolor 19F MRI pH sensing probes

Structural determinants for ethylene formation and L-Arginine hydroxylation reaction mechanisms in the ethylene-forming enzyme

Luminescent silver(I) coordination compounds with a heterocyclic thioamide and phosphines as potential antibacterial and anticancer agents

Development of naphthoquinone based redox active N-heterocyclic carbenes

Comparative QM/MM study of the hydrogen atom transfer reaction in the KDM6 family of enzymes

Exploring the copper trafficking effects of flavonoids

Oxovanadium(V) complexes of bioinorganic relevance: Synthesis, characterization, and biological activity

Halogen bonding as a potential mechanism for inhibition of thyroid hormone activation

Bioinorganic Chemistry

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Self-assembling light-activated drugs for cancer imaging and therapy