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

Capitalizing on teachable moments to enhance a culture of safety

Photochemical dissolution and degradation of industrial crude oil and natural seep oil in seawater

Safe and economical handling of bulk low-density nanomaterials

Antifouling strategies of biodegradable polyurethane for implantable biomedical devices

Finding harmony among incompatiblity in the selective oxidation of CH4 to CH3OH with atmospheric O2

Chemical, physical, and superstructural driving forces of aqueous interfacial phosphate recognition

Tetraphenylphosphonium metal halide perovskites synthesis and crystal structures

Homogeneous reduction of atmospheric carbon dioxide by a neutral zinc complex

Influence of methanol on transport of OH- in anion-exchange membranes

Stabilizing noncovalent monolayers on MoS2 through edge-on adsorption of multi-chain functional alkanes

Drop manipulation on superhydrophobic surface with dielectrowetting

Incoherent upconversion in oligoacenes

Effect of a coordinating pyridine moiety on the SAP and TSAP isomer proportions of bimodal Ln(III) complexes

Evaluation of DDT bioaccumulation in earthworms from a historically-contaminated orchard using Bayesian hierarchical modelling

Controlling functionality of layer-by-layer assembled upper critical solution temperature micelles

Antifouling properties of nitroxide modified surface active siloxane block copolymers

Photoswitching in poly(2-oxazoline) nanoreactors

Synchrotron and electron microscopy microstructural characterization of PuO2

Repurposing isoxazoline and diamide insecticides to control the sand fly, Phlebotomus papatasi

Color neutral smart windows using nickel oxide electrochromism and ion intercalation with reversible metal electrodeposition

Fragment-based de novo design targeting FABP5 and nSMase2

Synthesis of ternary metal tetrel-pnictides using arc-melted precursors

Toward predicting potentially hazardous transformation products in aqueous-phase advanced oxidation processes: Where are we standing by and where are we heading

Toxicological and neurophysiological characterization of natural product based chromene analogs to insect pests

Designing dye incorporated polymeric architectures for stimuli-responsive function

Harnessing magnetic anisotropy in designing functional materials for use as liquid crystalline polymers

Multiagent consensus equilibrium (MACE) for addressing the scaling challenges of computational chemistry

Electrostatically varied grafted copolymers for enhancing multivalent ion rejection for nanofiltration

Syntheses of eugenol based copolymers applying thiol-ene reactions

Photocleavable linker for the release of rare cancer biomarkers after microfluidic affinity selection

Engineered high-specificity affinity reagents for the detection of glycan sialylation

Learning evaluation in P–Chem lab sequence that (a) prepares students for and (b) involves them in authentic research

Inducing neural failure through chemical inhibition of insect inward rectifier potassium channels

3D printing of rubber toughened epoxy with tunable mechanical properties and shape memory behavior

Robust pernigraniline salt-like oligomers featuring ladder type constitution and Pauli paramagnetism

Development of a pathogen flow model for risk-based sanitation safety planning and mapping

Identification of novel target sites to reduce salivary gland function and feeding of Aedes aegypti

Using microbial source tracking and antibiotic resistance for environmental justice

Disposable voltammetric sensors for onsite detection of arsenic, selenium, and cadmium

Radical SAM-dependent thioether installation in freyrasin

ML models that both learn and teach chemistry via partitioning reactive trajectories by reaction product in phase space using support vector machines

Using suspect screening to determine Hurricane Florence’s impact on chemicals of concern at a forested water reuse site

Toxicological relevance of potassium ion channels to honey bee immune health

Molten salt research at ORNL

GPU-accelerated constant pH and redox potential molecular dynamics: Exploring electrochemistry in AMBER

Discerning the fundamental interactions of water with porous catalysts by in situ MAS NMR

Ion pair reactions in the high speed ball mill

Synthesis of fluorinated 1,5-3H-benzodiazepines from substituted o-phenylenediamines and 2-fluoroalk-3-yn-1-ones

Synthesis of substituted bipyridylphosphine oxides via palladium(II) cross-coupling: Method development and application to coordination chemistry

Improving force fields by identifying and characterizing small molecules with parameter inconsistencies

Excited state calculations using multiconfiguration pair-density functional theory: Successes and challenges

Interface stability between Li1.4Al0.4Ti1.6(PO4)3 and cathode for all solid-state lithium-ion batteries

Polypyridine bridged ruthenium dimers as inner-sphere ketone transfer hydrogenation catalysts

Selective deuteration of a broad variety of halogenated compounds using Pd/C-Al-D2O system as the deuterium source and reaction medium

Porous framework materials for sound attenuation applications

Development of late-stage functionalization of chiral bisphosphorylimides

Enantioselective, copper-catalyzed alkynylation of cyclic iminium ions lacking stabilizing groups

Design, development and synthesis of water-lean amine-based solvents as carbon dioxide capture materials

Multiconfigurational pair-density functional theory: Strong-correlation method in quantum chemist's toolbox

Coupling of UV/H2O2 and biological treatment for the removal of the pharmaceuticals metoprolol and metoprolol acid from hospital wastewater

Deciphering biomolecular corona formation on coated nanoparticles through all-atom molecular dynamics and dissipative particle dynamics simulations

Improving REMD efficiency with Monte Carlo moves using a structure reservoir

Exploring graphene oxide-water interfaces: Computational investigation

Clendenin, WV: Birthplace of the Chemical Valley and the efforts to document our history

In situ enzymatic screening (ISES) approach to catalyst screening: Toward a new entry into halovinyl amino acids

Optimizing Lennard-Jones parameters by coupling nano- and macroscale target data using user-guided numerical algorithms

1,8-Naphthalenediol derived boronic esters and inclusion properties of the 4,4′-bipyridine based Lewis acid–base complexes with different aromatic guest molecules

MB-nrg doesn't work by accident!

One-step synthesis of sulfonamides from tosylhydrazones

Synthesis of fluorinated cobalt oxo cubanes: Catalysts for water oxidation

Natural transition orbitals for complex 2-component TDDFT

Dendrite formation in Li−metal anodes: Atomistic machine learned molecular dynamics study

Development of thick cathodes for high-energy lithium-ion batteries

Predicting physical properties of bio-renewable molecules in a search for a drop-in Jet-A fuel

Carboamination strategy for sultam synthesis enabled by photoredox catalysis

Curious case of DMSO: A computational study

Organoactinide complexes of uranium and neptunium

Single drop fabrication of the cholesterol biosensor based on synthesized NiFe2O4NPs dispersed on PDDA–CNTs

11-step catalytic asymmetric synthesis of (–)-bilobalide

Pretraining deep learning molecular representations for property prediction

Controlled release of cationic amphiphile antimicrobials

Antioxidant sunscreen polymers through click modification of polybutadienes with s-tetrazines

Expanding wastewater-based epidemiology to inform on public health

Deracemization of sodium chlorate: Effect of enantiomeric excess and crystal size of chiral seeds

Polymeric nanofilter biointerface for potentiometric small-biomolecule recognition

Alkaline poly(ionic liquids) with methylpyrrolidinium, methylpiperidinium, methylazepanium, methylazocanium, and methylazonanium cations

Identification of a new class of proteasome inhibitors based on a naphthylcarbonyl-phenyl urea scaffold

CPT’s role in enhancing safety education for undergraduates

Influence of graphene and copper on the photocatalytic response of titanium oxide nanotubes

In vivo efficacy study of reactive oxygen species (ROS) inducible anticancer agents

Change the enantioselectivity of enzymes: Rational structural-modification of functional proteins catalyzing Diels-Alder reactions with the reversed enantioselectivity

End group analysis of poly(3-hexylthiophene) from halogenated monomers and their potential application for bis-end-functionalization

Towards the dissociation dynamics of multiply-charged ions

Sublethal effects of chlorantraniliprole exposure to a beneficial insect species

Discovery of APOBEC3B DNA cytosine deaminase ligands by protein observed fluorine NMR screening

Achieving flat-on crystals and blocking ionic conduction in polycarbonate/poly(vinylidene fluoride) multilayer films

Out-of-the-box implicit solvation at dielectric interfaces

Ice-nucleating bacteria and fungi: Increased order of water molecules at low temperatures

Smart polymeric sensors for healthcare applications

Artificial neural network-based approach to thermodynamic property estimation

Sci-Mix

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Capitalizing on teachable moments to enhance a culture of safety