An object of the present invention is to provide a novel metal-organic framework with a dicarboxylic acid having a terphenyl skeleton as an organic ligand and a gas storage method using such a metal-organic framework. A metal-organic framework comprising a carboxylate ion of formula (I) and a multivalent metal ion bonded to each other. (In formula (I), R1 and R2 each independently are a hydroxy group or an unsubstituted or substituted C1-6 alkyl group. R10 and R11 each independently are an unsubstituted or substituted C1-6 alkyl group. R20 is an unsubstituted or substituted C1-6 alkyl group. Provided that, as substituents on R1, R2, R3, R4, R5, R6, R7, R8, R10, R11, and R20, a carboxy group (COOH) and a carboxylate ion group (COO—) are excluded. In addition, R10 and R11 are not a methyl group at the same time.)
An object of the present invention is to provide a novel metal-organic framework with a dicarboxylic acid having a terphenyl skeleton as an organic ligand and a gas storage method using such a metal-organic framework. A metal-organic framework comprising a carboxylate ion of formula (I) and a multivalent metal ion bonded to each other. (In formula (I), R1 and R2 each independently are a hydroxy group or an unsubstituted or substituted C1-6 alkyl group. R10 and R11 each independently are an unsubstituted or substituted C1-6 alkyl group. R20 is an unsubstituted or substituted C1-6 alkyl group. Provided that, as substituents on R1, R2, R3, R4, R5, R6, R7, R8, R10, R11, and R20, a carboxy group (COOH) and a carboxylate ion group (COO—) are excluded. In addition, R10 and R11 are not a methyl group at the same time.)
It is an object of the present invention to provide a storage material for a gas such as hydrogen, carbon dioxide, methane, or acetylene (excluding nitrogen gas) comprising a metal-organic framework comprising a hydroxamic acid group as a bonding site. A metal-organic framework comprising a multivalent metal ion and a molecule comprising an unsubstituted or substituted hydroxamic acid group and one or more sites capable of being bonded to the multivalent metal ion is contained. The molecule is preferably at least one compound selected from the group consisting of compounds of formulas (I) to (III).
It is an object of the present invention to provide a storage material for a gas such as hydrogen, carbon dioxide, methane, or acetylene (excluding nitrogen gas) comprising a metal-organic framework comprising a hydroxamic acid group as a bonding site. A metal-organic framework comprising a multivalent metal ion and a molecule comprising an unsubstituted or substituted hydroxamic acid group and one or more sites capable of being bonded to the multivalent metal ion is contained. The molecule is preferably at least one compound selected from the group consisting of compounds of formulas (I) to (III).
B01J 20/22 - Compositions absorbantes ou adsorbantes solides ou compositions facilitant la filtrationAbsorbants ou adsorbants pour la chromatographieProcédés pour leur préparation, régénération ou réactivation contenant une substance organique
3.
HYDROGEN STORAGE MATERIAL CONTAINING METAL ORGANIC STRUCTURE
The object of the present invention addresses a problem of providing a novel hydrogen storage material containing a metal-organic framework that can effectively store hydrogen. Hydrogen can be effectively stored by use of a hydrogen storage material containing a metal-organic framework, the metal-organic framework comprising a carboxylate ion of formula (I) and a multivalent metal ion, wherein the carboxylate ion and the multivalent metal ion are bound to each other. (In formula (I), X is an unsubstituted or substituted C2-C20 alkyl group, an unsubstituted or substituted alkenyl group, an unsubstituted or substituted alkynyl group, an unsubstituted or substituted alkoxy group, an unsubstituted or substituted alkenyloxy group, an unsubstituted or substituted alkynyloxy group, a benzyloxy group, an unsubstituted or substituted alkylsulfanyl group, an unsubstituted or substituted alkenylsulfanyl group, an unsubstituted or substituted alkynylsulfanyl group, an unsubstituted or substituted alkylamino group, an unsubstituted or substituted dialkylamino group, an unsubstituted or substituted alkenylamino group, an unsubstituted or substituted dialkenylamino group, an unsubstituted or substituted alkynylamino group, an unsubstituted or substituted dialkynylamino group, a phenyl group, a sulfanyl group or an unsubstituted or substituted alkoxycarbonyl group.)
The object of the present invention addresses a problem of providing a novel hydrogen storage material containing a metal-organic framework that can effectively store hydrogen. Hydrogen can be effectively stored by use of a hydrogen storage material containing a metal-organic framework, the metal-organic framework comprising a carboxylate ion of formula (I) and a multivalent metal ion, wherein the carboxylate ion and the multivalent metal ion are bound to each other. (In formula (I), X is an unsubstituted or substituted C2-C20 alkyl group, an unsubstituted or substituted alkenyl group, an unsubstituted or substituted alkynyl group, an unsubstituted or substituted alkoxy group, an unsubstituted or substituted alkenyloxy group, an unsubstituted or substituted alkynyloxy group, a benzyloxy group, an unsubstituted or substituted alkylsulfanyl group, an unsubstituted or substituted alkenylsulfanyl group, an unsubstituted or substituted alkynylsulfanyl group, an unsubstituted or substituted alkylamino group, an unsubstituted or substituted dialkylamino group, an unsubstituted or substituted alkenylamino group, an unsubstituted or substituted dialkenylamino group, an unsubstituted or substituted alkynylamino group, an unsubstituted or substituted dialkynylamino group, a phenyl group, a sulfanyl group or an unsubstituted or substituted alkoxycarbonyl group.)
B01J 20/22 - Compositions absorbantes ou adsorbantes solides ou compositions facilitant la filtrationAbsorbants ou adsorbants pour la chromatographieProcédés pour leur préparation, régénération ou réactivation contenant une substance organique
4.
METAL-ORGANIC FRAMEWORK HAVING TEREPHTHALIC ACID BASED LIGAND
Despite the fact that the amount and type of gas to be stored may vary in accordance with the type of substituent, metal-organic frameworks only using a terephthalic acid having substituents within the limited range have been produced conventionally. An object of the present invention is to provide a novel metal-organic framework using a 2,5-disubstituted terephthalic acid. A metal-organic framework comprising a carboxylate ion of formula (I) and a multivalent metal ion bound to each other is a novel metal-organic framework, enabling a gas such as hydrogen and nitrogen to be store efficiently. (wherein in formula (I), X is an unsubstituted or substituted cycloalkyl group, an unsubstituted or substituted aryl group, an unsubstituted or substituted heterocyclyl group or —Si(R1) (R2) (R3) ; and Y is a single bond, an alkylene group, —O—, —S—, —S(O)—, —SO2—, —N(R4)— or a group formed by a combination thereof; provided that X—Y— is a phenyl group, a benzyloxy group, a pyrazol-1-yl group or a group of formula (II) except for a case where m is 3, 6, 8, 9, 10, 11 and 12).
Despite the fact that the amount and type of gas to be stored may vary in accordance with the type of substituent, metal-organic frameworks only using a terephthalic acid having substituents within the limited range have been produced conventionally. An object of the present invention is to provide a novel metal-organic framework using a 2,5-disubstituted terephthalic acid. A metal-organic framework comprising a carboxylate ion of formula (I) and a multivalent metal ion bound to each other is a novel metal-organic framework, enabling a gas such as hydrogen and nitrogen to be store efficiently. (wherein in formula (I), X is an unsubstituted or substituted cycloalkyl group, an unsubstituted or substituted aryl group, an unsubstituted or substituted heterocyclyl group or —Si(R1) (R2) (R3) ; and Y is a single bond, an alkylene group, —O—, —S—, —S(O)—, —SO2—, —N(R4)— or a group formed by a combination thereof; provided that X—Y— is a phenyl group, a benzyloxy group, a pyrazol-1-yl group or a group of formula (II) except for a case where m is 3, 6, 8, 9, 10, 11 and 12).
B01J 20/22 - Compositions absorbantes ou adsorbantes solides ou compositions facilitant la filtrationAbsorbants ou adsorbants pour la chromatographieProcédés pour leur préparation, régénération ou réactivation contenant une substance organique
B01J 20/28 - Compositions absorbantes ou adsorbantes solides ou compositions facilitant la filtrationAbsorbants ou adsorbants pour la chromatographieProcédés pour leur préparation, régénération ou réactivation caractérisées par leur forme ou leurs propriétés physiques
5.
METAL ORGANIC STRUCTURE, GAS-STORING AGENT COMPRISING SAME, AND GAS STORAGE METHOD USING SAME
The present invention addresses the problem of providing: a novel metal organic structure having gas storage capability; and a gas-storing agent and a gas storage method, in each of which the metal organic structure is used. Provided is a metal organic structure in which a carboxylic acid ion represented by formula (1) is bound to a polyvalent metal ion (provided that a metal organic structure in which a carboxylic acid ion represented by formula (1) is bound to a bivalent copper ion in which X in formula (1) represents a sulfur atom, each of m1, m2, n1 and n2 represents 0, and both COO-'s are respectively bound to position-2 and position-8 is excluded). (In formula (1), X represents a sulfur atom or an oxygen atom; R1represents a hydroxy group, a C1-6 alkyl group, a C1-6 alkoxy group, or a halogeno group; n1 and n2 independently represent any one integer of 0 to 3; when there are two or more R1's, the R1's may be the same as or different from each other; m1 and m2 independently represent 0 or 1; and when there are two or more L's, the L's may be the same as or different from each other.)
B01J 20/22 - Compositions absorbantes ou adsorbantes solides ou compositions facilitant la filtrationAbsorbants ou adsorbants pour la chromatographieProcédés pour leur préparation, régénération ou réactivation contenant une substance organique
An object of the present invention is to provide a metal-organic framework capable of adsorbing a gas such as a hydrogen molecule or carbon dioxide at a practical level. The metal-organic framework is used for adsorbing a gas such as hydrogen or carbon dioxide and comprises a multivalent metal ion and a carboxylate ion of formula [I] [wherein in formula [I], X1 to X3 each independently represent a functional group of formula [II] (wherein in formula [II], Z is a single bond or a multivalent linking group, k is an integer of 1 to 4, and * is the position at which a bond is formed with a benzene ring); and Y1 and Y2 each independently represent a hydrogen atom, a halogeno group, a C1-6 alkyl group or the like, provided that when the multivalent metal ion is a trivalent metal ion, Y1 and Y2 each independently represent a halogeno group, a C1-6 alkyl group or the like], wherein the carboxylate ion and the multivalent metal ion are bound to each other.
An object of the present invention is to provide a metal-organic framework capable of adsorbing a gas such as a hydrogen molecule or carbon dioxide at a practical level. The metal-organic framework is used for adsorbing a gas such as hydrogen or carbon dioxide and comprises a multivalent metal ion and a carboxylate ion of formula [I] [wherein in formula [I], X1 to X3 each independently represent a functional group of formula [II] (wherein in formula [II], Z is a single bond or a multivalent linking group, k is an integer of 1 to 4, and * is the position at which a bond is formed with a benzene ring); and Y1 and Y2 each independently represent a hydrogen atom, a halogeno group, a C1-6 alkyl group or the like, provided that when the multivalent metal ion is a trivalent metal ion, Y1 and Y2 each independently represent a halogeno group, a C1-6 alkyl group or the like], wherein the carboxylate ion and the multivalent metal ion are bound to each other.
B01J 20/22 - Compositions absorbantes ou adsorbantes solides ou compositions facilitant la filtrationAbsorbants ou adsorbants pour la chromatographieProcédés pour leur préparation, régénération ou réactivation contenant une substance organique
7.
METAL-ORGANIC FRAMEWORK WITH CARBOXYLIC ACID ION HAVING TERPHENYL SKELETON AS LIGAND
A problem addressed by the present invention is to provide a novel metal-organic framework with a dicarboxylic acid having a terphenyl skeleton as an organic ligand, and a gas storage method using the same. A metal-organic framework obtained by bonding a carboxylic acid ion represented by formula (I) and a polyvalent metal ion. (In formula (I), R1and R2each independently represent a hydroxy group, a substituted or unsubstituted C1-6 alkyl group, etc. R10and R11each independently represent a substituted or unsubstituted C1-6 alkyl group, etc. R20represents a substituted or unsubstituted C1-6 alkyl group, etc. However, a carboxy group (COOH) and carboxylic acid ion group (COO-) are excluded as substituents on R1, R2, R3, R4, R5, R6, R7, R8, R10, R11, and R20. Also, R10and R11 may not simultaneously be methyl groups.)
C07F 7/00 - Composés contenant des éléments des groupes 4 ou 14 du tableau périodique
B01J 20/22 - Compositions absorbantes ou adsorbantes solides ou compositions facilitant la filtrationAbsorbants ou adsorbants pour la chromatographieProcédés pour leur préparation, régénération ou réactivation contenant une substance organique
8.
GAS-STORING MATERIAL INCLUDING METAL/ORGANIC FRAMEWORK BONDED BY HYDROXAMIC ACID
The purpose of the present invention is to provide a material for storing a gas (excluding nitrogen gas), e.g., hydrogen, carbon dioxide, methane, or acetylene, the material including a metal/organic framework having a hydroxamic acid group as a combining site. The metal organic framework obtained by combining a polyvalent metal ion with a molecule having both an (un)substituted hydroxamic acid group and one or more portions capable of combining with the polyvalent metal ion is included. It is preferable that the molecule be at least one selected from the group consisting of compounds represented by formulae (I) to (III).
C07C 259/10 - Composés contenant des groupes carboxyle, un atome d'oxygène d'un groupe carboxyle étant remplacé par un atome d'azote, cet atome d'azote étant lié de plus à un atome d'oxygène et ne faisant pas partie de groupes nitro ou nitroso sans remplacement de l'autre atome d'oxygène du groupe carboxyle, p. ex. acides hydroxamiques ayant des atomes de carbone de groupes hydroxamique liés à des atomes de carbone de cycles aromatiques à six chaînons
F17C 11/00 - Utilisation de solvants ou d'absorbants des gaz dans les récipients
C01B 3/00 - HydrogèneMélanges gazeux contenant de l'hydrogèneSéparation de l'hydrogène à partir de mélanges en contenantPurification de l'hydrogène
C07D 213/60 - Composés hétérocycliques contenant des cycles à six chaînons, non condensés avec d'autres cycles, ne comportant qu'un atome d'azote comme unique hétéro-atome du cycle et avec au moins trois doubles liaisons entre chaînons cycliques ou entre chaînons cycliques et chaînons non cycliques comportant trois liaisons doubles ne comportant pas de liaison entre l'atome d'azote du cycle et un chaînon non cyclique ou ne comportant que des atomes d'hydrogène ou de carbone liés directement à l'atome d'azote du cycle avec des hétéro-atomes ou des atomes de carbone comportant trois liaisons à des hétéro-atomes, avec au plus une liaison à un halogène, p. ex. radicaux esters ou nitrile, liés directement aux atomes de carbone du cycle
The invention addresses the problem that metal-organic frameworks have conventionally only been produced with terephthalic acids having a limited range of substituents even though the amount and type of gas stored thereby can vary depending on the type of substituents. The objective of the present invention is to provide a novel metal-organic framework using a 2,5-disubstituted terephthalic acid. The metal-organic framework obtained through the binding of a carboxylic acid ion represented by formula (I) with a polyvalent metal ion, is a novel metal-organic framework and is capable of storing gases such as hydrogen and nitrogen efficiently. (In formula (I), X represents an unsubstituted or a substituted cycloalkyl group, an unsubstituted or a substituted aryl group, an unsubstituted or a substituted heterocyclyl group, or -Si(R1)(R2)(R322-, or -N(R4)-, or a group combining these, with the proviso that phenyl groups, benzyloxy groups, pyrazole-1-yl groups, and groups represented by formula (II) when m equals 3, 6, 8, 9, 10, 11 and 12, are excluded as X-Y-.)
C07C 65/24 - Composés comportant des groupes carboxyle liés à des atomes de carbone de cycles aromatiques à six chaînons et contenant l'un des groupes OH, O-métal, —CHO, cétone, éther, des groupes , des groupes ou des groupes contenant des groupes éther, des groupes , des groupes ou des groupes polycycliques
C07C 229/62 - Composés contenant des groupes amino et carboxyle liés au même squelette carboné ayant des groupes amino et carboxyle liés à des atomes de carbone de cycles aromatiques à six chaînons du même squelette carboné avec des groupes amino et carboxyle liés à des atomes de carbone du même cycle aromatique à six chaînons non condensé avec des groupes amino et au moins deux groupes carboxyle liés à des atomes de carbone du même cycle aromatique à six chaînons
C07C 323/62 - Thiols, sulfures, hydropolysulfures ou polysulfures substitués par des halogènes, des atomes d'oxygène ou d'azote ou par des atomes de soufre ne faisant pas partie de groupes thio contenant des groupes thio et des groupes carboxyle liés au même squelette carboné ayant l'atome de soufre d'au moins un des groupes thio lié à un atome de carbone d'un cycle aromatique à six chaînons du squelette carboné
C07D 333/24 - Radicaux substitués par des atomes de carbone comportant trois liaisons à des hétéro-atomes, avec au plus une liaison à un halogène, p. ex. radicaux ester ou nitrile
C07D 213/68 - Un atome d'oxygène lié en position 4
B01J 20/22 - Compositions absorbantes ou adsorbantes solides ou compositions facilitant la filtrationAbsorbants ou adsorbants pour la chromatographieProcédés pour leur préparation, régénération ou réactivation contenant une substance organique
C07D 307/54 - Radicaux substitués par des atomes de carbone comportant trois liaisons à des hétéro-atomes, avec au plus une liaison à un halogène, p. ex. radicaux ester ou nitrile
10.
HYDROGEN STORAGE MATERIAL CONTAINING METAL ORGANIC STRUCTURE
The present invention addresses the problem of providing a novel hydrogen storage material containing a metal organic structure capable of effectively storing hydrogen. Hydrogen can be effectively stored using a hydrogen storage material containing a metal organic structure which is composed of carboxylic acid ions represented by formula (I) and polyvalent metal ions and in which the carboxylic acid ions and the polyvalent metal ions are bonded. (In formula (I), X represents an unsubstituted or substituted C2-C20 alkyl group, an unsubstituted or substituted alkenyl group, an unsubstituted or substituted alkynyl group, an unsubstituted or substituted alkoxy group, an unsubstituted or substituted alkenyloxy group, an unsubstituted or substituted alkynyloxy group, a benzyloxy group, an unsubstituted or substituted alkylsulfanyl group, an unsubstituted or substituted alkenyl sulfanyl group, an unsubstituted or substituted alkynyl sulfanyl group, an unsubstituted or substituted alkylamino group, an unsubstituted or substituted dialkylamino group, an unsubstituted or substituted alkenylamino group, an unsubstituted or substituted dialkenylamino group, an unsubstituted or substituted alkynylamino group, an unsubstituted or substituted dialkynylamino group, a phenyl group, a sulfanyl group, or an unsubstituted or substituted alkoxycarbonyl group.)
C01B 3/00 - HydrogèneMélanges gazeux contenant de l'hydrogèneSéparation de l'hydrogène à partir de mélanges en contenantPurification de l'hydrogène
B01J 20/22 - Compositions absorbantes ou adsorbantes solides ou compositions facilitant la filtrationAbsorbants ou adsorbants pour la chromatographieProcédés pour leur préparation, régénération ou réactivation contenant une substance organique
C07C 63/15 - Acides dicarboxyliques monocycliques tous les groupes carboxyle étant liés aux atomes de carbone du cycle aromatique à six chaînons
C07C 65/21 - Composés comportant des groupes carboxyle liés à des atomes de carbone de cycles aromatiques à six chaînons et contenant l'un des groupes OH, O-métal, —CHO, cétone, éther, des groupes , des groupes ou des groupes contenant des groupes éther, des groupes , des groupes ou des groupes
C07C 69/76 - Esters d'acides carboxyliques dont un groupe carboxyle estérifié est lié à un atome de carbone d'un cycle aromatique à six chaînons
C07C 229/38 - Composés contenant des groupes amino et carboxyle liés au même squelette carboné ayant des groupes amino liés à des atomes de carbone acycliques et des groupes carboxyle liés à des atomes de carbone de cycles aromatiques à six chaînons du même squelette carboné
C07C 229/58 - Composés contenant des groupes amino et carboxyle liés au même squelette carboné ayant des groupes amino et carboxyle liés à des atomes de carbone de cycles aromatiques à six chaînons du même squelette carboné avec des groupes amino et carboxyle liés à des atomes de carbone du même cycle aromatique à six chaînons non condensé avec des groupes amino et carboxyle liés en position ortho ayant l'atome d'azote d'au moins un des groupes amino lié de plus à un atome de carbone d'un cycle aromatique à six chaînons, p. ex. acides N-phénylanthraniliques
The present invention addresses the problem of providing a metal-organic structural body capable of adsorbing gases such as carbon dioxide and hydrogen molecules at a practical level for use. This metal-organic structural body is used for adsorbing gases such as carbon dioxide and hydrogen and includes a multivalent metal ion and a carboxylate ion represented by formula [I] [in formula [I], X1-X3each independently represent a functional group represented by formula [II] (in formula [II], Z represents a single bond or a multivalent linkage group, k represents an integer of 1-4, * indicates the position at which a bond is formed with a benzene ring, Y1and Y2each independently represent a hydrogen atom, a halogeno group, a C1-6 alkyl group, or the like, but, when said multivalent metal ion is a trivalent metal ion, Y1and Y2 each independently represent a halogeno group, a C1-6 alkyl group, or the like)], wherein the carboxylate ion and the multivalent metal ion are bound to each other.
C07C 63/74 - Composés comportant des groupes carboxyle liés aux atomes de carbone de cycles aromatiques à six chaînons contenant des atomes d'halogène avec des insaturations autres que celles des cycles aromatiques
C07F 11/00 - Composés contenant des éléments des groupes 6 ou 16 du tableau périodique
C07F 7/00 - Composés contenant des éléments des groupes 4 ou 14 du tableau périodique
B01D 53/02 - Séparation de gaz ou de vapeursRécupération de vapeurs de solvants volatils dans les gazÉpuration chimique ou biologique des gaz résiduaires, p. ex. gaz d'échappement des moteurs à combustion, fumées, vapeurs, gaz de combustion ou aérosols par adsorption, p. ex. chromatographie préparatoire en phase gazeuse
B01J 20/22 - Compositions absorbantes ou adsorbantes solides ou compositions facilitant la filtrationAbsorbants ou adsorbants pour la chromatographieProcédés pour leur préparation, régénération ou réactivation contenant une substance organique
In order to provide a resin composition that is quickly hydrolyzed, a resin composition that contains a hydrolyzable crystalline polymer (A) and a hydrolysis accelerator (B) is used, wherein the resin composition (C) is characterized in that the degree of crystallinity of the resin composition is 15-60%. In addition, the resin composition (C) is quickly hydrolyzed in an aqueous solution having a pH that is greater than 7.
C08L 101/00 - Compositions contenant des composés macromoléculaires non spécifiés
C08L 67/00 - Compositions contenant des polyesters obtenus par des réactions créant une liaison ester carboxylique dans la chaîne principaleCompositions contenant des dérivés de tels polymères
C08L 67/04 - Polyesters dérivés des acides hydroxycarboxyliques, p. ex. lactones
C08L 101/16 - Compositions contenant des composés macromoléculaires non spécifiés les composés macromoléculaires étant biodégradables
13.
Device, system, method and program for producing fragment model
A device for creating a fragment model from a crystal model is equipped with a division position identifying section adapted for identifying multiple division atom pairs for multiple atoms contained in the crystal model. The atoms in the division atom pairs are contained in different fragment models. The device is additionally equipped with a model creating section adapted for identifying each of multiple atom groups each composed of atoms bonded to each other in the crystal model and for creating fragment models respectively corresponding to the identified atom groups.
G06F 30/20 - Optimisation, vérification ou simulation de l’objet conçu
G16B 15/00 - TIC spécialement adaptées à l’analyse de structures moléculaires bidimensionnelles ou tridimensionnelles, p. ex. relations structurelles ou fonctionnelles ou alignement de structures
C07H 15/26 - Radicaux acycliques ou carbocycliques substitués par des hétérocycles
C07D 333/38 - Atomes de carbone comportant trois liaisons à des hétéro-atomes avec au plus une liaison à un halogène, p. ex. radicaux ester ou nitrile
C07D 333/54 - Benzo [b] thiophènesBenzo [b] thiophènes hydrogénés avec uniquement des atomes d'hydrogène, des radicaux hydrocarbonés ou des radicaux hydrocarbonés substitués, liés directement aux atomes de carbone de l'hétérocycle
C07D 409/08 - Composés hétérocycliques contenant plusieurs hétérocycles, au moins un cycle comportant des atomes de soufre comme uniques hétéro-atomes du cycle contenant deux hétérocycles liés par une chaîne carbonée contenant des cycles alicycliques
15.
DEVICE, SYSTEM, METHOD AND PROGRAM FOR PRODUCING FRAGMENT MODEL
MIZUHO INFORMATION & RESEARCH INSTITUTE, INC. (Japon)
Inventeur(s)
Mochizuki, Yuji
Tsukamoto, Takayuki
Fukuzawa, Kaori
Abrégé
A device for producing a fragment model from a crystal model is equipped with a bond detachment position-specifying section that is so adapted as to specify multiple bond-detached atom pairs with respect to multiple atoms contained in the crystal model. The atoms in the bond-detached atom pairs are contained in different fragment models, respectively. The device is additionally equipped with a model production section that is so adapted as to specify each of multiple atom groups each composed of atoms capable of bonding to each other in the crystal model and to produce fragment models respectively corresponding to the specified atom groups.
G06F 19/16 - pour la structure moléculaire, p.ex. alignement de la structure, relations structurales ou fonctionnelles, repliement protéique, topologies de domaine, ciblage de médicaments utilisant des données de structure, impliquant des structures bidimensionnelles ou tridimensionnelles
H01L 21/00 - Procédés ou appareils spécialement adaptés à la fabrication ou au traitement de dispositifs à semi-conducteurs ou de dispositifs à l'état solide, ou bien de leurs parties constitutives
Provided is a diarylethene compound having excellent water solubility. The diarylethene compound is represented by formula (I). [In formula (I), Sg is a monovalent saccharide residue formed by removing a hydroxy group from a saccharide compound selected from the group consisting of six-membered-ring succharides, five-membered-ring succharides, cyclitols, and oligosaccharides comprising these; Ar is a group represented by formula (A1) or (A2) (in formulae (A1) and (A2), X is S, SO2, NR3, or O); and Y is a hydrogen atom or a halogen atom.]
brevets
