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Results for “Amides”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Effects of synthetic alkamides on Arabidopsis fatty acid amide hydrolase activity and plant development
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The recovery of river chemistry from acid rain in the Mississippi River basin amid intensifying anthropogenic activities and climate change
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Structure of a putative terminal amidation domain in natural product biosynthesis
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Hexavalent Actinide Extraction Using N , N -Dialkyl Amides
Recently, efforts towards closing the nuclear fuel cycle have considered oxidizing americium to a hexavalent, linear-dioxo cation for co-recovery with hexavalent U, Np, and Pu from molar nitric acid using solvating extraction ligands such as tri-n-butyl phosphate or diamyl amylphosphonate. This work assesses solvent extraction recovery of sodium bismuthate oxidized americium by N , N -di-(2-ethylhexyl)butyramide (DEHBA), N , N -di-(2-ethylhexyl)isobutyramide (DEHiBA), and N , N -dihexyloctanamide (DHOA). Extraction efficiency between the monoamides was found to increase in the order of DEHiBA < DHOA < DEHBA. For all monoamides, oxidized americium extraction was less than 50% from 4 M HNO 3 and below. Extraction efficiency above 50% was obtained using concentrations of 5 M HNO 3 or higher. The DEHBA extractant provided the highest distribution value of 5.4 at 7 M HNO 3 . Distribution values were found to be stable for up to 45 seconds aqueous/organic phase mixing times and indicated decreased reduction of hexavalent americium relative to separations completed with organophosphorus extractants. The simultaneous co-extraction of U, Np, Pu, and Am was demonstrated using DEHiBA, and was found to decrease with increasing atomic number (D U > D Np > D Pu > D Am ). Interestingly, a break in recovery was observed where ligher actinides, U and Np, were better recovered relative to the heavier actinides, Pu and Am, in this study. This observation seems to be related to differences in the extracted metal complex for light actinides compared to heavy actinides. In conclusion, the metal:ligand stoichiometry was found to be mixed 1:1 and 1:2 species for U and Np while Pu and Am displayed 1:2 stoichiometry.
Speciation of Select f -Elements with Lipophilic Phosphorus Acids and Diglycol Amides in the ALSEP Backward-Extraction Regime
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Small-Scale Metal-Based Syntheses of Lanthanide Iodide, Amide, and Cyclopentadienyl Complexes as Analogues for Transuranic Reactions
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Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors
Optimization of binding affinities for ligands to their target protein is a primary objective in rational drug discovery. Herein, we report on a collaborative study that evaluates various compounds designed to bind to the SET and MYND domain-containing protein 3 (SMYD3). SMYD3 is a histone methyltransferase and plays an important role in transcriptional regulation in cell proliferation, cell cycle, and human carcinogenesis. Experimental measurements using the scintillation proximity assay show that the distributions of binding free energies from a large number of independent measurements exhibit non-normal properties. We use ESMACS (enhanced sampling of molecular dynamics with approximation of continuum solvent) and TIES (thermodynamic integration with enhanced sampling) protocols to predict the binding free energies and to provide a detailed chemical insight into the nature of ligand-protein binding. Our results show that the 1-trajectory ESMACS protocol works well for the set of ligands studied here. Although one unexplained outlier exists, we obtain excellent statistical ranking across the set of compounds from the ESMACS protocol and good agreement between calculations and experiments for the relative binding free energies from the TIES protocol. ESMACS and TIES are again found to be powerful protocols for the accurate comparison of the binding free energies.
Discovery, Structure?Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Pe
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Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Pr
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Synthesis and Pharmacological Characterization of C4 β -Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S, 2 S, 4 S, 5 R, 6 S )-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu 3 Receptor Agonist
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Intra- and Intermolecular Charge-Transfer Dynamics of Carbene–Metal–Amide Photosensitizers
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Correction to “Intra- and Inter-Molecular Charge Transfer Dynamics of Carbene–Metal–Amide Photosensitizers”
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Experimental and DFT Computational Study of β-Me and β-H Elimination Coupled with Proton Transfer: From Amides to Enamides in Cp* 2 MX (M = La, Ce)
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Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization
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Poly-Amide Modified Copper Foam Electrodes for Enhanced Electrochemical Reduction of Carbon Dioxide
A strategy to modulate the electrocatalytic activity of copper toward CO 2 reduction involving adsorption of acrylamide, acrylic acid, and allylamine polymers is presented. Modification of electrodeposited copper foam with poly(acrylamide) leads to a significant enhancement in faradaic efficiency for ethylene from 13% (unmodified foam) to 26% at -0.96 V vs RHE, whereas methane yield is unaffected. Effects from crystalline phase distribution and copper oxide phases are ruled out as the source of enhancement through XPS and in situ XRD analysis. DFT calculations reveal that poly(acrylamide) adsorbs on the copper surface via the oxygen atom on the carbonyl groups and enhances ethylene formation by (i) charge donation to the copper surface that activates CO for dimerization, (ii) chemical stabilization of the CO dimer (a key intermediate for C 2 products) by hydrogen-bond interactions with the -NH 2 group, and (iii) facilitating the adsorption of CO molecules near the polymer, increasing local surface coverage. Poly(acrylamide) with copper acts as a multipoint binding catalytic system where the interplay between activation and stabilization of intermediates results in enhanced selectivity toward ethylene formation. Finally, modification with poly(acrylic acid) which has a similar structure to poly(acrylamide) also shows some enhancement in activity but is unstable, whereas poly(allylamine) completely suppresses CO 2 reduction in favor of the hydrogen evolution reaction.