2019 Fall National Meeting

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

American Chemical Society

Sci-Mix

Promoting deoxygenation in lignocellulosic biomass: Co-pyrolysis with clay minerals as in situ catalysts

Giving ticks ‘dry mouth’ through chemical modulation of inward rectifier potassium channels as a mechanism to prevent blood feeding

Plant terpenoids as a source of novel nematicides

Application of extended Hückel theory to pharmacophore modeling

Translationally transformed coupled-cluster (TT-CC) theory in a local basis for periodic systems

Microwave-assisted aqueous RAFT polymerization of cationic monomers

Synthesis, characterization, and cure kinetics study of carborane containing cyanate esters with excellent thermal stability

Metal-binding pharmacophores as scaffolds for the development of potent human arginase-1 inhibitors

Noncovalent ordered wrapping of poly(methyl methacrylate) on single-wall carbon nanotubes and its effect on macroscopic-continuous polymer composite fibers

Phosphorous chemistry affecting nutrient runoff in agriculture

Iridate perovskites as highly active catalysts for the oxygen evolution reaction in acidic conditions

Quasi-living polymerization of dienes and polar vinyl monomers catalyzed by a discrete neodymium phosphate complex

Computational and experimental filtering of potential therapeutics using ADMET properties

Organocatalytic thioesterification of aldehydes with visible light

Modular materials for molecular electronics and targeted therapeutics

Aleutianamine: Architecturally-complex pyrroloiminoquinone alkaloid with selective cytotoxicity toward pancreatic cancer cell lines

Leveraging academic collaborations and expanding the millamolecular chemistry synthetic toolbox

Proton hydration in gas phase clusters: Born–Oppenheimer molecular dynamics hybrid DFT study of HCl in a water nanodroplet

Polarizing nonpolar polymers with poly(N-isopropylacrylamide) in nonpolar alkanes

Towards processable MOFs through polymer/MOF hybrid materials

Self-assembly of rigid polymers into nanostructures

Multifidelity methods for the design of transition metal complexes

Some MOFs with substituted biphenyldicarboxylic acid to show novel topologies

Mineralogy dependent atmospheric processing of mineral dust aerosols and their impact on the growth of marine diatoms

Novel nanoprecipitation-based formulation technology to enhance catalytic activity of known catalysts in aqueous media

Nano-/micro- honeycomb solid oxide electrolysis cell anodes for rapid oxygen generation, diffusion, and exhalation

Green preparation of Au(I) complexes via mechanochemistry

Engineering pseudo spin valve magnetoresistance in colloidally prepared nanoparticle films

Transition metal free selective N2-arylation of 1,2,3-triazoles

Application of kinetic models for degradation rate of triazole pesticides in perilla leaves

Development of multi-residue analysis method of pesticides in organic agro-materials

Exploring the reactivity of sulfur(VI) via sulfonimidate intermediates

ChEMBL, SureChEMBL and UniChem: Web-based chemistry databases for drug discovery and chemical research

Development of excited state quantum chemistry methods capable of describing photodissociation of single bonds

Acid-mediated ring expansion of 2,2-disubstituted azetidine carbamates to 6,6-disubstituted 1,3-oxazinan-2-ones

Alkyl-extended pinacol rearrangement

Biopolymer functionalized liposomes for enhanced dispersion stability of nano vesicles

Effects of spin contamination on the potential energy surfaces of water splitting catalysis by tungsten-oxide clusters

Implication of nutrient concentrations related to a harmful algae bloom (HAB) and microcystin formation in Caesar Creek Lake, Wilmington, Ohio

Interactions between surface species and confined solvent structures within Lewis acid zeolites: (De)stabilization of catalytically-relevant intermediates

Developing an alternative method for deploying toxic sugar bait technologies

New ternary transition metal selenide Na2MoSe4: Computational and experimental study

Ligand-assisted dissolution of gold in organic solvents

Rhenium(I) supramolecular rectangles for ion-sensing applications

GPU-accelerated simulations of fluid flow in nanoporous source rocks with many-body dissipative particle dynamics

Single-atom tailoring of platinum nanowires for high-performance electrocatalysis

Lanthanide extraction from fly ash using coordination chemistry

Exploring sequence-to-sequence learning methods for end-to-end, complete protein structure prediction

Solar induced formation of emulsification in petroleum on water

Elucidating the mechanism of translation regulation by fragile x-related protein 1: Intrinsically disordered RNA-binding protein

Synergistic effects of potassium channel blockers and pyrethroids: Mosquitocidal activity and neuronal mode of action

Using a fatty-acid-binding fluorescent-protein for oxygen-independent live-cell imaging of microbiomes

Visualization of molten salt interaction with Ni and Ni-20Cr alloy via multiscale imaging

Solvation thermodynamics of intrinsically disordered proteins (IDP)

Hydrothermal liquefaction of clay-biomass mixtures for simultaneous production of heterogeneous hydrochars and upgraded biofuels

Slow magnetic relaxation in mono- and multinuclear uranium metallocene complexes

Characterizing students’ abilities to reason about “why” on organic chemistry assessments

Technology enhanced learning for organic chemistry

Targeting cross-β-sheet surfaces with small molecule imaging agents

Ratiometric pH imaging with a dendritic CEST MRI contrast agent

Mechanochemical synthesis: Solvent effects on helicity of conducting polymers

Progress in metal-supported solid oxide fuel cells: Performance and durability

Synthesis, evaluation, and computational simulations of novel 1,2,3-triazole analogues of sitagliptin as DPP-4 inhibitors

Application of spectrophotometric titration for verification of small molecule interaction in relation to amidoximated fibers for uranium extraction from seawater

Chemistry communication practice through online collaborative learning

Structure-based drug discovery for HtrA1: Novel age-related macular degeneration target

Understanding surface densified phases in Ni-rich layered compounds

Formation of strained rings through a nickel-catalyzed cross-electrophile coupling

Ni-catalyzed oxidative esterification of allylic sp3-carbon followed by in situ reduction

How do I design a chemical reaction to do useful work, and how does my reaction impact society? A case study in reimagining general chemistry

Revealing ALK-drug resistance mechanisms using GPU-driven molecular dynamics sampling

Direct selection of sandwich binding pairs with modified phage display technology

Full-color luminescent dimethylamino-substituted difluoroboron β-diketonate complexes as environment-sensitive probes

Rapid RNA structure determination through cryo-EM, high-throughput biochemistry, and computational modeling

Computational design of foldamer based water channels

Inhibition of protein-tyrosine phosphatases (PTPs) by chemically-induced dimerization

LASSOing the atom-typing problem: Statistical method for ligand force field model selection

Binary zinc borates and their industrial use

Next generation catch and release DNA decoys with photochemically responsive pyrimidine mimics

Highly efficient ammonia recovery from wastewater using electrically conducting gas-stripping membranes

Evaluation of alchemical non-equilibrium free energy calculations

Tuning the thermoelectric properties of 2D layered GeAs

Molecular design strategies for mechanochemically active polymers

Efficient synthesis of L-ribonolactol derivative and their L-nucleoside analogs from D-ribose

Non-precious metal catalyzed direct synthesis of Guerbet alcohol

Force field complexity assessed via Bayesian inference and reversible jump Monte Carlo sampling

High fidelity ultra-coarse-graining of soft matter systems

Copper catalyzed SN2’ functionalization of fluoroalkylated alkenes

Sequential anionic intramolecular cyclization of bis-alkynylarene amides toward polycyclic isoindolo-isoquinolines and -benzazepines: Regioselectivity study

Pd-catalyzed C(4)–H functionalization of pyrrolidines and piperidines with C(3)-directing groups: Mechanistic insight into regio- and stereoselectivity

18F deoxyfluorination of phenols via Ru π complexes

Biomimetic synthesis of kallosin

Silicon quantum dots for synthesis of pyrroles and pyrazoles

Rational engineering of CRISPR-based genome editors using computational methods

Targeting glioblastoma cancer stem cell derived neurospheres: From phenotypic screen to target identification

Oxygen nanosensors for brain imaging

Electrochemical studies of perfluoroacids (PFAs) and perfluorooctane sulfonate (PFOS)

Polydiacetylene-liquid crystalline copolymers as a route to optically active stimuli-responsive materials

Capitalizing on teachable moments to enhance a culture of safety

Active learning in organic chemistry integrating LibreTexts: OER multimedia digital resource

Sci-Mix

No video is available

Promoting deoxygenation in lignocellulosic biomass: Co-pyrolysis with clay minerals as <i>in situ</i> catalysts