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1. 发明授权

US11119033B2 Conformation analysis device, analysis method, conformational notation device and notation method 有权
公开(公告)号：US11119033B2
公开(公告)日：2021-09-14
申请号：US12385856
申请日：2009-04-22
申请人： Hiroshi Izumi , Atsushi Ogata , Kazuyuki Takeo , Hideki Kobayashi
发明人： Hiroshi Izumi , Atsushi Ogata , Kazuyuki Takeo , Hideki Kobayashi
IPC分类号： G16C10/00 , G01N21/19
摘要： A conformation analysis device and analysis method with which discrimination can be achieved even if there is a subtle difference in a conformational structure, a given molecule can be processed in a unified manner, and large-scale computer processing can be performed, and a conformational notation device and notation method with which even in the case where a conformation cannot be uniquely determined if a rule in accordance with the IUPAC Nomenclature is followed, the conformation can be uniquely notated, a given molecule can be processed in a unified manner, and large-scale computer processing can be performed, are provided. In one embodiment of the invention, a processing section receives an input of a chemical structural formula of a compound to be analyzed, puts a predetermined code indicating a dihedral angle to each chemical binding site based on the received chemical structural formula, extracts an encoded conformational notation of interest with respect to a structure capable of uniquely determining a conformation with one conformational notation, and stores the extracted encoded conformational notation in a storage section. Then, the processing section creates a molecular model based on the extracted encoded conformational notation, performs geometry optimization and frequency calculation for the created molecular model, determines a geometry optimized structure and a physical property value of the geometry optimized structure, extracts the encoded conformational notation from the storage section, and performs a homology analysis based on the notation.

2. 发明申请

US20090248321A1 Conformation analysis device, analysis method, conformational notation device and notation method 审中-公开
标题翻译：构象分析装置，分析方法，构图符号装置和符号法
公开(公告)号：US20090248321A1
公开(公告)日：2009-10-01
申请号：US12385856
申请日：2009-04-22
申请人： Hiroshi Izumi , Atsushi Ogata , Kazuyuki Takeo , Hideki Kobayashi
发明人： Hiroshi Izumi , Atsushi Ogata , Kazuyuki Takeo , Hideki Kobayashi
IPC分类号： G06F19/00 , G01N31/00 , G06G7/58
CPC分类号： G01N21/19 , G01N2201/129 , G16C10/00
摘要： A conformation analysis device and analysis method with which discrimination can be achieved even if there is a subtle difference in a conformational structure, a given molecule can be processed in a unified manner, and large-scale computer processing can be performed, and a conformational notation device and notation method with which even in the case where a conformation cannot be uniquely determined if a rule in accordance with the IUPAC Nomenclature is followed, the conformation can be uniquely notated, a given molecule can be processed in a unified manner, and large-scale computer processing can be performed, are provided. In one embodiment of the invention, a processing section receives an input of a chemical structural formula of a compound to be analyzed, puts a predetermined code indicating a dihedral angle to each chemical binding site based on the received chemical structural formula, extracts an encoded conformational notation of interest with respect to a structure capable of uniquely determining a conformation with one conformational notation, and stores the extracted encoded conformational notation in a storage section. Then, the processing section creates a molecular model based on the extracted encoded conformational notation, performs geometry optimization and frequency calculation for the created molecular model, determines a geometry optimized structure and a physical property value of the geometry optimized structure, extracts the encoded conformational notation from the storage section, and performs a homology analysis based on the notation.
摘要翻译：一种构象分析装置和分析方法，即使在构象结构中存在微妙的差异也可以实现辨别，可以统一地处理给定的分子，并且可以进行大规模的计算机处理，并且构造符号装置和符号方法，即使在遵循符合IUPAC命名的规则的情况下，如果不能唯一确定构象的情况下，可以唯一地注明构象，可以以统一的方式处理给定的分子，可以进行规模化的计算机处理。在本发明的一个实施方案中，处理部分接收待分析化合物的化学结构式的输入，根据所接收的化学结构式，给每个化学结合位点放置一个表示二面角的预定代码，提取编码的构象关于能够以一种构象符号唯一地确定构象的结构的关注符号，并将所提取的编码构象符号存储在存储部分中。然后，处理部分基于提取的编码构象符号创建分子模型，对所创建的分子模型执行几何优化和频率计算，确定几何优化结构的几何优化结构和物理属性值，提取编码的构象符号并从存储部分进行基于符号的同源性分析。

3. 发明授权

US5556636A Adhesive composition for medical use 失效
标题翻译：医用胶粘剂组合物
公开(公告)号：US5556636A
公开(公告)日：1996-09-17
申请号：US319085
申请日：1994-10-06
申请人： Yoshiaki Yano , Kazuyuki Takeo , Takayoshi Hidaka
发明人： Yoshiaki Yano , Kazuyuki Takeo , Takayoshi Hidaka
IPC分类号： A61K9/70 , A61K47/34 , A61L15/58 , A61F13/00
CPC分类号： A61K9/7076 , A61K47/34 , A61L15/58
摘要： The present invention is directed to a sticky composition for medical use comprising a tackifier resin and an oxyalkylene polymer having a silicon-containing group which can be crosslinked by forming a siloxane bond, wherein silicon atom thereof is bound with a hydroxyl group or hydrolytic group, and to a transdermal drug delivery preparation incorporating said sticky composition as a drug carrier. The sticky composition of the present invention possesses excellent adhesive properties, very low skin irritancy and good compatibility with the site of plastering and thus perform as a very safe and effective medical adhesive. The transdermal drug delivery preparation of the present invention offers excellent drug release from the sticky composition.
摘要翻译：本发明涉及用于医疗用途的粘性组合物，其包含增粘树脂和具有含硅基团的氧化烯聚合物，所述含硅基团可通过形成硅氧烷键而交联，其中硅原子与羟基或水解基团结合，以及掺入所述粘性组合物作为药物载体的透皮药物递送制剂。本发明的粘性组合物具有优异的粘合性能，非常低的皮肤刺激性和与抹灰部位的良好相容性，因此作为非常安全和有效的医用胶粘剂。本发明的透皮给药制剂从粘性组合物中提供优异的药物释放。

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