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    Process for conjugating biomolecules to hydrophobic membrane-incorporated molecules
    1.
    发明申请
    Process for conjugating biomolecules to hydrophobic membrane-incorporated molecules 审中-公开
    将生物分子与疏水性膜结合分子结合的方法

    公开(公告)号：US20110217459A1

    公开(公告)日：2011-09-08

    申请号：US11974970

    申请日：2007-10-16

    申请人： Basil I. Swanson ,  Clifford J. Unkefer ,  Jurgen G. Schmidt ,  Scott M. Reed ,  John E. Shively ,  Lin Li

    发明人： Basil I. Swanson ,  Clifford J. Unkefer ,  Jurgen G. Schmidt ,  Scott M. Reed ,  John E. Shively ,  Lin Li

    IPC分类号： B05D5/06

    CPC分类号： G01N33/5432

    摘要： 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.

    摘要翻译： 提供了通过将包括一个或多个锚定基团，报道基团和反应位点的多官能连接分子掺入到膜中，使识别元件例如生物分子与疏水多功能连接分子结合的方法， 所引入的多功能连接分子具有预选的识别元件以形成共价结合的识别元件 - 多功能连接子分子 - 膜组件。 此外，提供适于随后共价连接识别元件的化学组合物，其包括包含一个或多个锚定基团的多官能连接分子，报道基团和由能够随后共价键合的反应性基团封端的亲水性间隔基 一个或多个结合在膜中的锚定基团。

    Solid phase immobilized trifunctional linker
    2.
    发明申请
    Solid phase immobilized trifunctional linker 审中-公开
    固相固定三官能接头

    公开(公告)号：US20100099831A1

    公开(公告)日：2010-04-22

    申请号：US11590109

    申请日：2006-10-30

    申请人： Jurgen G. Schmidt ,  Basil I. Swanson ,  Clifford J. Unkefer

    发明人： Jurgen G. Schmidt ,  Basil I. Swanson ,  Clifford J. Unkefer

    IPC分类号： C08L69/00

    CPC分类号： G01N33/54353 ,  B01J19/0046 ,  B01J2219/00497 ,  B01J2219/005 ,  B01J2219/00576 ,  B01J2219/00585 ,  B01J2219/00596 ,  B01J2219/00648 ,  B01J2219/00722 ,  B01J2219/00725 ,  B01J2219/00731

    摘要： 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.

    摘要翻译： 本发明涉及在用于识别分子的自动化学合成中的固体支持物上形成固定的化学部分例如包括膜锚定功能的三官能化学部分的方法。 本发明进一步涉及容易且有效地合成化学部分的方法，例如用于生物传感器应用的那些。 本发明进一步涉及一种组合物，即具有与其连接的三官能化学部分的固体支持物，其可以容易地和容易地用于产生用于应用的生物分子，例如生物传感器应用。

    Synthesis of [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfones and sulfoxides
    3.
    发明授权
    Synthesis of [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfones and sulfoxides 失效
    [2H1,13C]，[2H2,13C]和[2H3,13C]甲基芳基砜和亚砜的合成

    公开(公告)号：US06764673B2

    公开(公告)日：2004-07-20

    申请号：US10342521

    申请日：2003-01-14

    申请人： Rodolfo A. Martinez ,  Marc A. Alvarez ,  Louis A. Silks, III ,  Clifford J. Unkefer ,  Jurgen G. Schmidt

    发明人： Rodolfo A. Martinez ,  Marc A. Alvarez ,  Louis A. Silks, III ,  Clifford J. Unkefer ,  Jurgen G. Schmidt

    IPC分类号： A61K5100

    CPC分类号： C07C321/28 ,  C07B2200/05 ,  C07C317/14

    摘要： 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.

    摘要翻译： 本发明涉及标记的化合物，[2 H 1，C 13 C]，[2 H 2，13 C]和[2 H 3，13 C]甲基芳基砜和[ 2> H1，13 C]，[2 H 2，13 C]和[2 H 3，13 C]甲基芳基亚砜，其中与硫连接的13 C甲基 砜或亚砜包括恰好一个，两个或三个氘原子，并且芳基选自1-萘基，取代的1-萘基，2-萘基，取代的2-萘基和具有以下结构的苯基：其中 R 1，R 2，R 3，R 4和R 5各自独立地为氢，C 1 -C 4低级烷基，卤素，由NH 2，NHR和NRR'组成的组中的氨基，其中R和R'各自为C 1 -C 4 低级烷基，苯基或烷氧基。 本发明还涉及制备甲基芳基砜和甲基芳基亚砜的方法。

    Synthesis of [1-13C]pyruvic acid], [2-13C]pyruvic acid], [3-13C]pyruvic acid] and combinations thereof
    4.
    发明授权
    Synthesis of [1-13C]pyruvic acid], [2-13C]pyruvic acid], [3-13C]pyruvic acid] and combinations thereof 有权
    合成[1-13C]丙酮酸]，[2-13C]丙酮酸]，[3-13C]丙酮酸]及其组合

    公开(公告)号：US08198484B2

    公开(公告)日：2012-06-12

    申请号：US12220234

    申请日：2008-07-22

    申请人： Rodolfo A. Martinez ,  Clifford J. Unkefer ,  Marc A. Alvarez

    发明人： Rodolfo A. Martinez ,  Clifford J. Unkefer ,  Marc A. Alvarez

    IPC分类号： C07C233/05

    CPC分类号： C07C69/716 ,  C07B59/001 ,  C07B2200/05 ,  C07C59/347 ,  C07C235/80 ,  C07C317/24 ,  C07C317/46 ,  Y10T436/200833

    摘要： 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. The present invention is also directed to the labeled compounds

    摘要翻译： 本发明涉及标记的化合物，其中C *各自为13 C和12 C，其中至少一个C *为13 C，亚甲基的每一个氢为氢或氘，甲基包括零或三个氘原子， Q是硫化物，亚磺酰基或砜，Z是1-萘基，取代的1-萘基，2-萘基，取代的2-萘基或其中R1，R2，R3，R4和R5各自的苯基的芳基 独立地是氢，C 1 -C 4低级烷基，卤素和氨基如NH 2，NHR和NRR'，其中R和R'各自独立地是C 1 -C 4低级烷基，苯基和烷氧基， 并且甲基可以包括零个或三个氘原子。 本发明还涉及标记的化合物

    Synthesis of [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfides
    5.
    发明授权
    Synthesis of [2H1, 13C], [2H2, 13C] and [2H3, 13C]methyl aryl sulfides 失效
    [2H1,13C]，[2H2,13C]和[2H3,13C]甲基芳基硫化物的合成

    公开(公告)号：US06713044B2

    公开(公告)日：2004-03-30

    申请号：US10342577

    申请日：2003-01-14

    申请人： Rodolfo A. Martinez ,  Marc A. Alvarez ,  Louis A. Silks, III ,  Clifford J. Unkefer

    发明人： Rodolfo A. Martinez ,  Marc A. Alvarez ,  Louis A. Silks, III ,  Clifford J. Unkefer

    IPC分类号： A61K5100

    CPC分类号： C07C319/14 ,  C07B59/001 ,  C07B2200/05 ,  C07C17/093 ,  C07C19/07 ,  C07C321/28

    摘要： 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. The present invention is also directed to the labeled compounds of [2H1, 13C]methyl iodide and [2H2, 13C]methyl iodide.

    摘要翻译： 本发明涉及标记的化合物[2 H 1，C 13 C]，[2 H 2，13 C]和[2 H 3，13 C]甲基芳基硫化物， 连接硫化硫的13 C甲基包括正好一个，两个或三个氘原子，芳基选自1-萘基，取代的1-萘基，2-萘基，取代的2-萘基， 和具有其中R1，R2，R3，R4和R5的结构的苯基各自独立地为氢，C1-C4低级烷基，卤素，由NH2，NHR和NRR'组成的组的氨基，其中R和R '各自为C 1 -C 4低级烷基，苯基或烷氧基。 本发明还涉及制备[2 H 1，13 C]，[2 H 2，13 C]和[2 H 3，13 C]甲基芳基硫化物的方法，其中 连接硫化硫的13 C甲基包括恰好一个，两个或三个氘原子。 本发明还涉及[<2> H1，13 C]甲基碘和[2 H 2，13 C]甲基碘的标记化合物。

    Method for predicting enzyme-catalyzed reactions
    7.
    发明授权
    Method for predicting enzyme-catalyzed reactions 有权
    预测酶催化反应的方法

    公开(公告)号：US08401797B2

    公开(公告)日：2013-03-19

    申请号：US11862103

    申请日：2007-09-26

    申请人： William S. Hlavacek ,  Clifford J. Unkefer ,  Fangping Mu ,  Pat J. Unkefer

    发明人： William S. Hlavacek ,  Clifford J. Unkefer ,  Fangping Mu ,  Pat J. Unkefer

    IPC分类号： G01N33/48

    CPC分类号： G06F19/704 ,  G06F19/702 ,  G06F19/707

    摘要： 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.

    摘要翻译： 给定代谢物的反应性使用潜在反应中心中选定的经验原子性质进行评估。 代谢反应表示为生物转化规则。 这些规则是从反应模式中推广出来的。 这些模式不是反应物所独有的，而是广泛分布在代谢物之间。 使用代谢物数据库，在给定的生物转化中，在代谢物中鉴定出潜在的亚结构。 这些亚结构分为反应物或非反应物，这取决于它们是否参与生物转化。 然后使用潜在反应中心中原子的拓扑和电子性质的描述符对每个潜在的子结构进行建模; 也可以使用分子性质。 训练支持向量机（SVM）或分类器，以使用这些特性将潜在的反应物分类为真实或假的反应物。

    Synthesis of isotopically labeled R- or S-[13C, 2H] glycerols
    9.
    发明授权
    Synthesis of isotopically labeled R- or S-[13C, 2H] glycerols 有权
    同位素标记的R-或S- [13C，2H]甘油的合成

    公开(公告)号：US07321070B2

    公开(公告)日：2008-01-22

    申请号：US10629982

    申请日：2003-07-30

    申请人： Rodolfo A. Martinez ,  Clifford J. Unkefer ,  Marc A. Alvarez

    发明人： Rodolfo A. Martinez ,  Clifford J. Unkefer ,  Marc A. Alvarez

    IPC分类号： C07C31/22

    CPC分类号： C07C31/225 ,  C07B2200/05 ,  C07B2200/07

    摘要： 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.

    摘要翻译： 本发明涉及不对称手性标记的甘油，其包括至少一个手性原子，一个至两个13个C原子和从零到四个直接键合到碳原子上的氘原子，例如（2S） [1,2-D] 13 C]甘油和（2R）[1,2- 13 C 12] ]甘油，以及使用这些手性甘油来制备标记的氨基酸。

    Synthesis of labeled oxalic acid derivatives
    10.
    发明授权
    Synthesis of labeled oxalic acid derivatives 失效
    标记草酸衍生物的合成

    公开(公告)号：US06753446B1

    公开(公告)日：2004-06-22

    申请号：US10456081

    申请日：2003-06-05

    申请人： Rodolfo A. Martinez ,  Clifford J. Unkefer ,  Marc A. Alvarez

    发明人： Rodolfo A. Martinez ,  Clifford J. Unkefer ,  Marc A. Alvarez

    IPC分类号： C07C22900

    CPC分类号： C07C233/56 ,  C07B59/001 ,  C07B2200/05

    摘要： 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.

    摘要翻译： 本发明涉及标记化合物，特别是其中每个C *选自碳12，即12 C，或碳-13，即13 C和至少一个C * 是13 C，R 1选自C 1 -C 4低级烷基和芳基，X选自-NR 2 R 3基团，其中R 2和R 3 >各自独立地选自C 1 -C 4低级烷基，烷氧基和芳基-SR 4，其中R 4选自C 1 -C 4低级烷基，烷氧基和芳基，-OR 5 其中R 5选自C 1 -C 4低级烷基，烷氧基和芳基，条件是当R 1是甲基时，R 5不是甲基，当R 1是乙基时，则 R 5不是乙基，当R 1是苄基时，R 5不是苄基。