Patents by Inventor Clifford J. Unkefer
Clifford J. Unkefer has filed for patents to protect the following inventions. This listing includes patent applications that are pending as well as patents that have already been granted by the United States Patent and Trademark Office (USPTO).
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Patent number: 8401797Abstract: The reactivity of given metabolites is assessed using selected empirical atomic properties in the potential reaction center. Metabolic reactions are represented as biotransformation rules. These rules are generalized from the patterns in reactions. These patterns are not unique to reactants but are widely distributed among metabolites. Using a metabolite database, potential substructures are identified in the metabolites for a given biotransformation. These substructures are divided into reactants or non-reactants, depending on whether they participate in the biotransformation or not. Each potential substructure is then modeled using descriptors of the topological and electronic properties of atoms in the potential reaction center; molecular properties can also be used. A Support Vector Machine (SVM) or classifier is trained to classify a potential reactant as a true or false reactant using these properties.Type: GrantFiled: September 26, 2007Date of Patent: March 19, 2013Assignee: Los Alamos National Security, LLCInventors: William S. Hlavacek, Clifford J. Unkefer, Fangping Mu, Pat J. Unkefer
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Patent number: 8198484Abstract: The present invention is directed to the labeled compounds, wherein C* is each either 13C and 12C where at least one C* is 13C, each hydrogen of the methylene group is hydrogen or deuterium, the methyl group includes either zero or three deuterium atoms, Q is sulfide, sulfinyl, or sulfone, Z is an aryl group such as 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, or a phenyl group wherein R1, R2, R3, R4 and R5 are each independently either hydrogen, a C1-C4 lower alkyl, a halogen, and an amino group such as NH2, NHR and NRR? where R and R? are each independently either a C1-C4 lower alkyl, a phenyl, and an alkoxy group, and the methyl group can include either zero or three deuterium atoms.Type: GrantFiled: July 22, 2008Date of Patent: June 12, 2012Assignee: Los Alamos National Security, LLCInventors: Rodolfo A. Martinez, Clifford J. Unkefer, Marc A. Alvarez
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Publication number: 20110217459Abstract: 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.Type: ApplicationFiled: October 16, 2007Publication date: September 8, 2011Inventors: Basil I. Swanson, Clifford J. Unkefer, Jurgen G. Schmidt, Scott M. Reed, John E. Shively, Lin Li
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Publication number: 20100099831Abstract: 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.Type: ApplicationFiled: October 30, 2006Publication date: April 22, 2010Inventors: Jurgen G. Schmidt, Basil I. Swanson, Clifford J. Unkefer
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Publication number: 20100069675Abstract: The present invention is directed to the labeled compounds, wherein C* is each either 13C and 12C where at least one C* is 13C, each hydrogen of the methylene group is hydrogen or deuterium, the methyl group includes either zero or three deuterium atoms, Q is sulfide, sulfinyl, or sulfone, Z is an aryl group such as 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, or a phenyl group wherein R1, R2, R3, R4 and R5 are each independently either hydrogen, a C1-C4 lower alkyl, a halogen, and an amino group such as NH2, NHR and NRR? where R and R? are each independently either a C1-C4 lower alkyl, a phenyl, and an alkoxy group, and the methyl group can include either zero or three deuterium atoms.Type: ApplicationFiled: September 1, 2009Publication date: March 18, 2010Applicant: Los Alamos National Security, LLCInventors: Rodolfo A. Martinez, Clifford J. Unkefer, Marc A. Alvarez
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Patent number: 7662993Abstract: The present invention is directed to labeled compounds of the formulae wherein Q is selected from the group consisting of —S(?O)—, and —S(?O)2—, Z is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure wherein R1, R2, R3, R4 and R5 are each independently selected from the group consisting of hydrogen, a C1-C4 lower alkyl, a halogen, and an amino group selected from the group consisting of NH2, NHR and NRR? where R and R? are each independently selected from the group consisting of a C1-C4 lower alkyl, an aryl, and an alkoxy group, and X is selected from the group consisting of hydrogen, a C1-C4 lower alkyl group, and a fully-deuterated C1-C4 lower alkyl group.Type: GrantFiled: November 2, 2006Date of Patent: February 16, 2010Assignee: Los Alamos National Security, LLCInventors: Marc A. Alvarez, Rodolfo A. Martinez, Clifford J. Unkefer
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Patent number: 7582801Abstract: The present invention is directed to labeled compounds, of the formulae wherein C* is each independently selected from the group consisting of 13C and 12C with the proviso that at least one C* is 13C, each hydrogen of the methylene group can independently be either hydrogen or deuterium, the methyl group includes either zero or three deuterium atoms, Q is from the group of sulfide, sulfinyl, and sulfone, Z is an aryl group from the group of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure wherein R1, R2, R3, R4 and R5 are each independently from the group of hydrogen, a C1-C4 lower alkyl, a halogen, and an amino group from the group of NH2, NHR and NRR? where R and R? are each independently from the group of a C1-C4 lower alkyl, a phenyl, and an alkoxy group, and the methyl group can include either zero or three deuterium atoms.Type: GrantFiled: February 7, 2005Date of Patent: September 1, 2009Assignee: Los Alamos National Security, LLCInventors: Rodolfo A. Martinez, Clifford J. Unkefer, Marc A. Alvarez
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Publication number: 20090030232Abstract: The present invention is directed to the labeled compounds, wherein C* is each either 13C and 12C where at least one C* is 13C, each hydrogen of the methylene group is hydrogen or deuterium, the methyl group includes either zero or three deuterium atoms, Q is sulfide, sulfinyl, or sulfone, Z is an aryl group such as 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, or a phenyl group wherein R1, R2, R3, R4 and R5 are each independently either hydrogen, a C1-C4 lower alkyl, a halogen, and an amino group such as NH2, NHR and NRR? where R and R? are each independently either a C1-C4 lower alkyl, a phenyl, and an alkoxy group, and the methyl group can include either zero or three deuterium atoms.Type: ApplicationFiled: July 22, 2008Publication date: January 29, 2009Inventors: Rodolfo A. Martinez, Clifford J. Unkefer, Marc A. Alvarez
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Publication number: 20080177478Abstract: The reactivity of given metabolites is assessed using selected empirical atomic properties in the potential reaction center. Metabolic reactions are represented as biotransformation rules. These rules are generalized from the patterns in reactions. These patterns are not unique to reactants but are widely distributed among metabolites. Using a metabolite database, potential substructures are identified in the metabolites for a given biotransformation. These substructures are divided into reactants or non-reactants, depending on whether they participate in the biotransformation or not. Each potential substructure is then modeled using descriptors of the topological and electronic properties of atoms in the potential reaction center; molecular properties can also be used. A Support Vector Machine (SVM) or classifier is trained to classify a potential reactant as a true or false reactant using these properties.Type: ApplicationFiled: September 26, 2007Publication date: July 24, 2008Applicant: LOS ALAMOS NATIONAL SECURITYInventors: William S. Hlavacek, Clifford J. Unkefer, Fangping Mu, Pat J. Unkefer
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Patent number: 7321070Abstract: The present invention is directed to asymmetric chiral labeled glycerols including at least one chiral atom, from one to two 13C atoms and from zero to four deuterium atoms bonded directly to a carbon atom, e.g., (2S) [1,2-13C2]glycerol and (2R) [1,2-13C2]glycerol, and to the use of such chiral glycerols in the preparation of labeled amino acids.Type: GrantFiled: July 30, 2003Date of Patent: January 22, 2008Assignee: Los Alamos National Security, LLCInventors: Rodolfo A. Martinez, Clifford J. Unkefer, Marc A. Alvarez
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Patent number: 7321049Abstract: The present invention is directed to labeled compounds of the formulae wherein Q is selected from the group consisting of —S—, —S(?O)—, and —S(?O)2—, Z is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure wherein R1, R2, R3, R4 and R5 are each independently selected from the group consisting of hydrogen, a C1-C4 lower alkyl, a halogen, and an amino group selected from the group consisting of NH2, NHR and NRR? where R and R? are each independently selected from the group consisting of a C1-C4 lower alkyl, an aryl, and an alkoxy group, and X is selected from the group consisting of hydrogen, a C1-C4 lower alkyl group, and a fully-deuterated C1-C4 lower alkyl group. The present invention is also directed to a process of preparing labeled compounds, e.g.Type: GrantFiled: November 4, 2005Date of Patent: January 22, 2008Assignee: Los Alamos National Security, LLCInventors: Marc A. Alvarez, Rodolfo A. Martinez, Clifford J. Unkefer
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Publication number: 20040171175Abstract: 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.Type: ApplicationFiled: February 28, 2003Publication date: September 2, 2004Inventors: Basil I. Swanson, Clifford J. Unkefer, Jurgen G. Schmidt, Scott M. Reed, John E. Shively, Lin Li
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Patent number: 6764673Abstract: The present invention is directed to labeled compounds, [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfones and [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfoxides, wherein the 13C methyl group attached to the sulfur of the sulfone or sulfoxide includes exactly one, two or three deuterium atoms and the aryl group is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure: wherein R1, R2, R3, R4 and R5 are each independently, hydrogen, a C1-C4 lower alkyl, a halogen, an amino group from the group consisting of NH2, NHR and NRR′ where R and R′ are each a C1-C4 lower alkyl, a phenyl, or an alkoxy group. The present invention is also directed to processes of preparing methyl aryl sulfones and methyl aryl sulfoxides.Type: GrantFiled: January 14, 2003Date of Patent: July 20, 2004Assignee: The Regents of the University of CaliforniaInventors: Rodolfo A. Martinez, Marc A. Alvarez, Louis A. Silks, III, Clifford J. Unkefer, Jurgen G. Schmidt
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Patent number: 6753446Abstract: The present invention is directed to labeled compounds, specifically where each C* is selected from the group consisting of a carbon-12, i.e., 12C, or a carbon-13, i.e., 13C and at least one C* is 13C, R1 is selected from the group of C1-C4 lower alkyl and aryl, and X is selected from the group of —NR2R3 where R2 and R3 are each independently selected from the group of C1-C4 lower alkyl, alkoxy and aryl, —SR4 where R4 is selected from the group of C1-C4 lower alkyl, alkoxy and aryl, and —OR5 where R5 is selected from the group of C1-C4 lower alkyl, alkoxy and aryl with the proviso that when R1 is methyl then R5 is other than methyl, when R1 is ethyl then R5 is other than ethyl, and when R1 is benzyl then R5 is other than benzyl.Type: GrantFiled: June 5, 2003Date of Patent: June 22, 2004Assignee: The Regents of the University of CaliforniaInventors: Rodolfo A. Martinez, Clifford J. Unkefer, Marc A. Alvarez
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Patent number: 6730805Abstract: The present invention is directed to labeled compounds, [2-13C]dithane wherein the 13C atom is directly bonded to one or two deuterium atoms. The present invention is also directed to processes of preparing [2-13C]dithane wherein the 13C atom is directly bonded to one or two deuterium atoms. The present invention is also directed to labeled compounds, e.g., [2H1-2, 13C]methanol (arylthio)-, acetates wherein the 13C atom is directly bonded to exactly one or two deuterium atoms.Type: GrantFiled: April 1, 2003Date of Patent: May 4, 2004Assignee: The Regents of the University of CaliforniaInventors: Rodolfo A. Martinez, Marc A. Alvarez, Louis A. Silks, III, Clifford J. Unkefer
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Synthesis of [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfides
Patent number: 6713044Abstract: The present invention is directed to labeled compounds, [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfides wherein the 13C methyl group attached to the sulfur of the sulfide includes exactly one, two or three deuterium atoms and the aryl group is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure wherein R1, R2, R3, R4, and R5 are each independently, hydrogen, a C1-C4 lower alkyl, a halogen, an amino group from the group consisting of NH2, NHR and NRR′ where R and R′ are each a C1-C4 lower alkyl, a phenyl, or an alkoxy group. The present invention is also directed to processes of preparing [2H1, 13C], [2H2,13C] and [2H3, 13C]methyl aryl sulfides wherein the 13C methyl group attached to the sulfur of the sulfide includes exactly one, two or three deuterium atoms.Type: GrantFiled: January 14, 2003Date of Patent: March 30, 2004Assignee: The Regents of the University of CaliforniaInventors: Rodolfo A. Martinez, Marc A. Alvarez, Louis A. Silks, III, Clifford J. Unkefer -
Patent number: 6709645Abstract: The present invention is directed to labeled compounds, for example, isotopically enriched mustard gas metabolites including: [1,1′,2,2′-13C4]ethane, 1,1′-sulfonylbis[2-(methylthio); [1,1′,2,2′-13C4]ethane, 1-[[2-(methylsulfinyl)ethyl]sulfonyl]-2-(methylthio); [1,1′,2,2′-13C4]ethane, 1,1′-sulfonylbis[2-(methylsulfinyl)]; and, 2,2′-sulfinylbis([1,2-13C2]ethanol of the general formula where Q1 is selected from the group consisting of sulfide (—S—), sulfone (—S(O)—), sulfoxide (—S(O2)—) and oxide (—O—), at least one C* is 13C, X is selected from the group consisting of hydrogen and deuterium, and Z is selected from the group consisting of hydroxide (—OH), and —Q2—R where Q2 is selected from the group consisting of sulfide (—S—), sulfone(—S(O)—), sulfoxide (—S(O2)—) anType: GrantFiled: April 18, 2003Date of Patent: March 23, 2004Assignee: The Regents of the University of CaliforniaInventors: Rodolfo A. Martinez, Louis A. Silks, III, Clifford J. Unkefer, Robert Atcher
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Publication number: 20030204108Abstract: The present invention is directed to labeled compounds, [2-13C]dithane wherein the 13C atom is directly bonded to one or two deuterium atoms. The present invention is also directed to processes of preparing [2-13C]dithane wherein the 13C atom is directly bonded to one or two deuterium atoms. The present invention is also directed to labeled compounds, e.g., [2H1-2, 13C]methanol (arylthio)-, acetates wherein the 13C atom is directly bonded to exactly one or two deuterium atoms.Type: ApplicationFiled: April 1, 2003Publication date: October 30, 2003Inventors: Rodolfo A. Martinez, Marc A. Alvarez, Louis A. Silks, Clifford J. Unkefer
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Publication number: 20030158445Abstract: The present invention is directed to labeled compounds, [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfones and [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfoxides, wherein the 13C methyl group attached to the sulfur of the sulfone or sulfoxide includes exactly one, two or three deuterium atoms and the aryl group is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure 1Type: ApplicationFiled: January 14, 2003Publication date: August 21, 2003Inventors: Rodolfo A. Martinez, Marc A. Alvarez, Louis A. Silks, Clifford J. Unkefer, Jurgen G. Schmidt
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Publication number: 20030153789Abstract: The present invention is directed to labeled compounds, [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfides wherein the 13C methyl group attached to the sulfur of the sulfide includes exactly one, two or three deuterium atoms and the aryl group is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure 1Type: ApplicationFiled: January 14, 2003Publication date: August 14, 2003Inventors: Rodolfo A. Martinez, Marc A. Alvarez, Louis A. Silks, Clifford J. Unkefer