Triad National Security, LLC

Los Alamos National Security, LLC

Robert F Williams

Jurgen G Schmidt

John Cameron Gordon

Pulak Nath

Marc A Alvarez

Michelle A Espy

David Bryan Kimball

Rudolfo A Martinez

Per Erik Magnelind

Jacob Luther Yoder

David Owen Baumann

Ryszard Michalczyk

Scarlett Widgeon Paisner

Algis V Urbaitis

Derrick C Kaseman

Michael Timothy Janicke

Robert David Gilbertson

Charlie E Strauss

Pavel A Dub

Yury Minko

Tammie Renee Nelson

Norman J Williams

Paul William Peterson

The present disclosure provides peptoid-based chelating ligands, corresponding cyclic peptoids, and methods of making thereof. Functional groups may be tailored for high metal binding affinity and selectivity. The side chains of a cyclic peptoid according to the present disclosure may be selected based on, for example, high affinity for actinide or other metal ions, selectivity for actinide or other metal ions, the ability to recover a metal once it is bound to the peptoid, and whether the overall peptoid should be hydrophobic or hydrophilic. Unlike siderophores, peptoid-based chelating ligands of the present disclosure are not readily hydrolyzed under physiological conditions. Therefore, peptoid-based chelating ligands may be, for example, used to treat actinide (e.g., iron and lead) poisoning in vivo. Moreover, peptoid-based chelating ligands of the present disclosure may be used for medical imaging, chelation therapy, drug delivery, and separation technologies, for example.

Peptoid-based chelating ligands for selective metal chelation

A nuclear magnetic resonance (NMR) system is configured to detect combinatorial signatures stemming from homonuclear and heteronuclear J-couplings. The system comprises a pre-polarization system, a detector, and NMR electronics, wherein the detector includes an NMR magnet with a magnetic field of strength between 300 mT and 10 &#x3bc;T.

Methods and systems for J-coupled nuclear magnetic resonance

A nuclear magnetic resonance (NMR) system is configured to detect chemical threat material. The system comprises a magnet configured to generate a magnetic field of about 300 millitesla or less; and a probe configured to detect nuclear relaxation of at least two nuclei selected from the group consisting ofH,F,P andN, and detect the spin density of nuclei selected from the group consisting ofH,F,P andN, following excitation.

Methods and systems for low to ultra-low magnetic field nuclear magnetic resonance for detecting chemical nerve agents

The present disclosure provides improved methods for controlled cyclization of peptoid dimers to form N,N'-2,5-diketopiperazines (N,N&#x2032;-2,5-DKPs) with significant selectivity. In at least some examples, selectivity is based on a serendipitous conglomeration of slow exchange of amide rotamers, steric repulsion from the degree of &#x3b1;-substitution, and the geometric bulk of an amine nucleophile. By varying reaction conditions, the selectivity of the reaction and formation of a particular N,N&#x2032;-2,5-DKP can be switched. The cyclization works in the presence of a variety of protection groups and diverse functionalities. The teachings herein provide techniques for synthesizing N,N&#x2032;-2,5-DKPs that can be readily docked with drug candidates for shuttling across the blood brain barrier. This method provides a facile way to produce substituted DKPs containing groups ready for post-modification to include docking drug candidates.

Controlled cyclization of peptoids to form chiral diketopiperazines

Disclosed herein are embodiments of chiral and achiral macrocyclic polydentate ligands and methods of preparing the same. Disclosed herein are also embodiments of metal coordination complexes derived from these macrocyclic polydentate ligands and methods of preparing the same. The metal coordination complexes described herein, can be used for a variety of catalytic reactions, including hydrogenation and transfer hydrogenation of unsaturated organic compounds, dehydrogenation of alcohols and boranes, an asymmetric Michael-type addition reaction, or an aerobic oxidative kinetic resolution of an organic compound, dehydrogenative couplings and other catalytic transformations.

Macrocyclic ligands and their complexes for bifunctional molecular catalysis

Compounds having stable isotopesC and/orH were synthesized from precursor compositions having solid phase supports or affinity tags.

Isotopically labeled compositions and method

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Los Alamos, NM, United States of America

Robert F Williams