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    METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR
    3.
    发明申请
    METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR 有权
    环形聚合方法及其催化剂

    公开(公告)号：US20130158226A1

    公开(公告)日：2013-06-20

    申请号：US13771552

    申请日：2013-02-20

    申请人： International Business Machines Corporation

    发明人： Daniel J. Coady ,  Kazuki Fukushima ,  James L. Hedrick ,  Hans W. Horn ,  Julia E. Rice

    IPC分类号： C08G63/82

    CPC分类号： C08G63/823 ,  C08G64/38 ,  C08G75/28

    摘要： A salt catalyst comprises an ionic complex of i) a nitrogen base comprising one or more guanidine and/or amidine functional groups, and ii) an oxoacid comprising one or more active acid groups, the active acid groups independently comprising a carbonyl group (C═O), sulfoxide group (S═O), and/or a phosphonyl group (P═O) bonded to one or more active hydroxy groups; wherein a ratio of moles of the active hydroxy groups to moles of the guanidine and/or amidine functional groups is greater than 0 and less than 2.0. The salt catalysts are capable of catalyzing ring opening polymerization of cyclic carbonyl compounds.

    摘要翻译： 盐催化剂包括i）包含一个或多个胍和/或脒官能团的氮碱的离子络合物，和ii）包含一个或多个活性酸基团的含氧酸，所述活性酸基团独立地包含羰基（C = O），亚砜基（S = O）和/或与一个或多个活性羟基键合的膦酰基（P = O）; 其中所述活性羟基的摩尔数与所述胍和/或脒官能团的摩尔数之比大于0且小于2.0。 盐催化剂能够催化环羰基化合物的开环聚合。

    Methods of preparing polyhemiaminals and polyhexahydrotriazines
    4.
    发明授权
    Methods of preparing polyhemiaminals and polyhexahydrotriazines 有权
    制备聚合物和聚六氢三嗪的方法

    公开(公告)号：US09243107B2

    公开(公告)日：2016-01-26

    申请号：US14050995

    申请日：2013-10-10

    申请人： International Business Machines Corporation

    发明人： James L. Hedrick ,  Hans W. Horn ,  Gavin O. Jones ,  Jeannette M. O'Brien ,  Kumar R. Virwani

    IPC分类号： B05D3/02 ,  C08G65/00 ,  C09D171/00

    CPC分类号： C08G73/0644 ,  C08G65/00 ,  C08G65/333 ,  C08G65/33303 ,  C08G65/33306 ,  C08G65/33313 ,  C08G65/33396 ,  C08G73/06 ,  C08G73/065 ,  C09D171/00 ,  C09D171/02 ,  C09D179/04

    摘要： Polyhexahydrotriazine (PHT) film layers are formed by a process comprising heating a first mixture comprising i) a solvent, ii) paraformaldehyde, and iii) a diamine monomer comprising two primary aromatic amine groups at a temperature of about 20° C. to less than 150° C. This heating step forms a stable polyhemiaminal (PHA) in solution, which can be cast on a surface of a substrate, thereby forming an initial film layer comprising the PHA. The initial film layer is heated at a temperature of 180° C. to about 280° C., thereby converting the PHA film layer to a PHT film layer. Young's moduli of about 8 GPA to about 14 GPA have been observed for the PHT film layers.

    摘要翻译： 聚六氢三嗪（PHT）膜层通过包括加热第一混合物的方法形成，所述第一混合物包含i）溶剂，ii）多聚甲醛，和iii）包含两个伯芳族胺基团的二胺单体，温度为约20℃至小于 该加热步骤在溶液中形成稳定的聚氨基甲酸（PHA），其可以浇铸在基材的表面上，从而形成包含PHA的初始膜层。 将初始膜层在180℃至约280℃的温度下加热，由此将PHA膜层转变成PHT膜层。 对于PHT膜层，观察到约8GPA至约14GPA的杨氏模量。

    FIELD-BASED SIMILARITY SEARCH SYSTEM AND METHOD
    5.
    发明申请
    FIELD-BASED SIMILARITY SEARCH SYSTEM AND METHOD 审中-公开
    基于现场的相似搜索系统和方法

    公开(公告)号：US20140052755A1

    公开(公告)日：2014-02-20

    申请号：US14056517

    申请日：2013-10-17

    申请人： INTERNATIONAL BUSINESS MACHINES CORPORATION

    发明人： Michael C. Pitman ,  Blake G. Fitch ,  Hans W. Horn ,  Wolfgang Huber ,  Julia E. Rice ,  William C. Swope

    IPC分类号： G06F17/30

    CPC分类号： G06F16/245 ,  B60G3/20 ,  B60G2200/144 ,  B60G2200/44

    摘要： A field-based similarity search system includes an input device which inputs a query molecule, and a processor which partitions a conformational space of the query molecule into a fragment graph including an acyclic graph including plural fragment nodes connected by rotatable bond edges, computes a property field on fragment pairs of fragments of the query molecule from the fragment graph, the property field including a local approximation of a property field of the query molecule, constructs a set of features of the fragment pairs based on the property field, the features including a set of local, rotationally invariant, and moment-based descriptors generated from all conformations of the fragment graph of the query molecule, and weights the descriptors according to importance as perceived from a training set of descriptors to generate a context-adapted descriptor-to-key mapping which maps the set of descriptors to a set of feature keys.

    摘要翻译： 基于场的相似性搜索系统包括输入查询分子的输入装置和将查询分子的构象空间分割成片段图的处理器，该片段图包括包括通过可旋转键合边缘连接的多个片段节点的非循环图，计算属性 包括查询分子的属性字段的局部近似的属性字段基于属性字段构建片段对的一组特征，其特征包括： 由查询分子的片段图的所有构象产生的局部，旋转不变和基于时刻的描述符集合，并且根据从描述符的训练集所感知的重要性对描述符进行加权，以生成上下文适应的描述符 - 键映射，其将描述符集合映射到一组特征密钥。

    Methods of ring opening polymerization and catalysts therefor
    7.
    发明授权
    Methods of ring opening polymerization and catalysts therefor 有权
    开环聚合方法及其催化剂

    公开(公告)号：US08846851B2

    公开(公告)日：2014-09-30

    申请号：US13771552

    申请日：2013-02-20

    申请人： International Business Machines Corporation

    发明人： Daniel J. Coady ,  Kazuki Fukushima ,  James L. Hedrick ,  Hans W. Horn ,  Julia E. Rice

    IPC分类号： C08G63/00 ,  C08G64/38 ,  C08G63/82 ,  C08G75/28

    CPC分类号： C08G63/823 ,  C08G64/38 ,  C08G75/28

    摘要： A salt catalyst comprises an ionic complex of i) a nitrogen base comprising one or more guanidine and/or amidine functional groups, and ii) an oxoacid comprising one or more active acid groups, the active acid groups independently comprising a carbonyl group (C═O), sulfoxide group (S═O), and/or a phosphonyl group (P═O) bonded to one or more active hydroxy groups; wherein a ratio of moles of the active hydroxy groups to moles of the guanidine and/or amidine functional groups is greater than 0 and less than 2.0. The salt catalysts are capable of catalyzing ring opening polymerization of cyclic carbonyl compounds.

    摘要翻译： 盐催化剂包含i）包含一个或多个胍和/或脒官能团的氮碱的离子络合物，和ii）包含一个或多个活性酸基团的含氧酸，所述活性酸基团独立地包含羰基（C = O），亚砜基（S = O）和/或与一个或多个活性羟基键合的膦酰基（P = O）; 其中所述活性羟基的摩尔数与所述胍和/或脒官能团的摩尔数之比大于0且小于2.0。 盐催化剂能够催化环羰基化合物的开环聚合。