Abstract: 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 ?T.

Abstract: 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 of 1H, 19F, 31P and 14N, and detect the spin density of nuclei selected from the group consisting of 1H, 19F, 31P and 14N, following excitation.

Abstract: The present disclosure provides improved methods for controlled cyclization of peptoid dimers to form N,N?-2,5-diketopiperazines (N,N?-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 ?-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?-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?-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.

Abstract: 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 of 1H, 19F, 31P and 14N, and detect the spin density of nuclei selected from the group consisting of 1H, 19F, 31P and 14N, following excitation.

Abstract: 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 ?T.

Abstract: The present disclosure provides improved methods for controlled cyclization of peptoid dimers to form N,N?-2,5-diketopiperazines (N,N?-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 ?-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?-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?-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.

Abstract: 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.

Abstract: The present invention provides a composite material including a substrate having an oxide surface, and, a continuous monolayer on the oxide surface, the monolayer including a silicon atom from a trifunctional alkyl/alkenyl/alkynyl silane group that attaches to the oxide surface, an alkyl/alkenyl/alkynyl portion of at least three carbon atoms, a polyalkylene glycol spacer group, and either a reactive site (e.g., a recognition ligand) or a site resistant to non-specific binding (e.g., a methoxy or the like) at the terminus of each modified SAM. The present invention further provides a sensor element, a sensor array and a method of sensing, each employing the composite material. Patterning is also provided together with backfilling to minimize non-specific binding.

Abstract: A compound, or a pharmaceutically acceptable salt, ester, hydrate or solvate thereof, comprising formula I: A-B wherein A comprises a carbohydrate that is a neuraminidase or galactosidase substrate; B comprises an odorant moiety; B is covalently bonded to an anomeric carbon of A; and A is enzymatically cleavable from B at the covalent bond site between A and B. Also disclosed are methods for detecting a pathogen with neuraminidase activity or galactosidase activity that include contacting the compound with a sample that may include the pathogen.

Abstract: Compounds having stable isotopes 13C and/or 2H were synthesized from precursor compositions having solid phase supports or affinity tags.

Abstract: A compound, or a pharmaceutically acceptable salt, ester, hydrate or solvate thereof, comprising formula IV: A-B wherein A comprises a substrate for an enzyme of a microorganism; B comprises an odorant moiety; B is covalently bonded to an anomeric carbon of A; and A is enzymatically cleavable from B at the covalent bond site between A and B by the enzyme of the microorganism. Examples of such compounds are referred to as substrate-odorant compounds or odorant chimeras. Also disclosed are methods for detecting a microorganism that include contacting the compound with a sample that may include the microorganism.

Abstract: A compound, or a pharmaceutically acceptable salt, ester, hydrate or solvate thereof, comprising formula I: A-B wherein A comprises a carbohydrate that is a neuraminidase or galactosidase substrate; B comprises an odorant moiety; B is covalently bonded to an anomeric carbon of A; and A is enzymatically cleavable from B at the covalent bond site between A and B. Also disclosed are methods for detecting a pathogen with neuraminidase activity or galactosidase activity that include contacting the compound with a sample that may include the pathogen.

Abstract: Compounds having stable isotopes 13C and/or 2H were synthesized from precursor compositions having solid phase supports or affinity tags.

Abstract: A process is provided of conjugating a recognition element such as a biomolecule to a hydrophobic multifunctional linker molecule by incorporating a multifunctional linker molecule including one or more anchoring groups, a reporter group and a reactive site thereon into a membrane, and, reacting the membrane including the incorporated multifunctional linker molecule with a pre-selected recognition element to form a covalently bound recognition element-multifunctional linker molecule-membrane assembly. Also, a chemical assembly suitable for subsequent covalent attachment of a recognition element is provided such assembly including a multifunctional linker molecule including one or more anchoring groups, a reporter group, and a hydrophilic spacer terminated by a reactive group capable of subsequent covalent bonding, the one or more anchoring groups incorporated in a membrane.

Abstract: Compounds having stable isotopes 13C and/or 2H were synthesized from precursor compositions having solid phase supports or affinity tags.

Abstract: The present invention provides a composite material including a substrate having an oxide surface, and, a continuous monolayer on the oxide surface, the monolayer including a silicon atom from a trifunctional alkyl/alkenyl/alkynyl silane group that attaches to the oxide surface, an alkyl/alkenyl/alkynyl portion of at least three carbon atoms, a polyalkylene glycol spacer group, and either a reactive site (e.g., a recognition ligand) or a site resistant to non-specific binding (e.g., a methoxy or the like) at the terminus of each modified SAM. The present invention further provides a sensor element, a sensor array and a method of sensing, each employing the composite material. Patterning is also provided together with backfilling to minimize non-specific binding.

Abstract: The present invention is directed to a method of forming an immobilized chemical moiety, such as a trifunctional chemical moiety that includes membrane-anchoring functionalities, on a solid support for use in automated chemical synthesis of a recognition molecule. The invention is further directed to a method of easily and efficiently synthesizing chemical moieties such as those used for biosensor applications. The invention is further directed to a composition, i.e., a solid support having a trifunctional chemical moiety linked thereto, that can be readily and easily used to generate biological molecules for applications, such as biosensor applications.

Abstract: The present invention is directed to a method for detecting the presence of clostridial neurotoxins in a sample by mixing a sample with a peptide that can serve as a substrate for proteolytic activity of a clostridial neurotoxin; and measuring for proteolytic activity of a clostridial neurotoxin by a mass spectroscopy technique. In one embodiment, the peptide can have an affinity tag attached at two or more sites.

Abstract: A process of preparing gold-coated magnetic nanoparticles is disclosed and includes forming a suspension of magnetic nanoparticles within a suitable liquid, adding an amount of a reducible gold compound and a reducing agent to the suspension, and, maintaining the suspension for time sufficient to form gold-coated magnetic nanoparticles.

Abstract: Compounds having stable isotopes 13C and/or 2H were synthesized from precursor compositions having solid phase supports or affinity tags.