Full Non-Rigid Group and Symmetry of Dimethyltrichlorophosphorus

In this work, a simple method is described, by means of which it is possible to calculate character tables for the symmetry group of molecules consisting of a number of NH3 groups attached to a rigid framework. The full non-rigid group (f-NRG) of dimethyltrichlorophosphorus with the symmetry group D3h was studied. It has been proven that it is a group of order 216 with 27 conjugacy classes and its character table computed. Finally, the Permutation-lnversion group of this molecule was calculated.     

基于B样条自由形变三维医学图像非刚性配准研究

医学超声成像具有成本低、实时成像等优势,基于超声的多模态配准在临床诊断、病情监测、外科手术等应用上具有较大的意义。三维医学图像能够清晰地显示病变大小、形态,提供相对完整的人体组织的三维结构信息。本文采用基于B样条自由形变模型的非刚性配准方法对三维超声图像和计算机断层扫描图像（Computed Tomography,CT）进行配准,利用薄板样条能量约束项解决三维图像配准过程中的图像交叉与重叠问题。此外,使用仿体数据以及临床数据验证算法性能,通过感兴趣区域的相对重叠率,互信息值和程序运行时间这三个指标对算法精度和速度进行评价。其中Demons方法平均耗时1896 s,本文改进算法平均耗时195 s,运行效率提高8.7倍;算法改进前后的感兴趣区域重叠率分别是89.58%和91.35%,精度提高2.0%。实验结果表明此算法能够对超声和CT图像进行配准并获得较好的结果。     

The symmetry group of nonrigid tetramethylsilane

Using nonrigid group theory, it is shown that the full nonrigid (f‐NRG) group of tetramethylsilane is isomorphic to the group C₃ S₄ of order 1944, where “” denotes the wreath product of groups, and C₃ and S₄ are the cyclic group of order three and the symmetric group of order four, respectively. This group has 51 conjugacy classes and irreducible representations. Then the character table of tetramethylsilane is derived for the first time. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008     

Phyllactones F and G,Further Bis-Homoscalarane Sesterterpenes from the Sponge Phyllospongia Foliaseens

Introduction In the previous papers, we reported the isolation and structural elucidation of eight 20,24-bishomoscalarane sesterterpenes from the sponge Phyllospongia foliascens collected from Xisha Islands. As a result of our continual investigation of the same sponge     

New Sesquiterpenes from a Taiwanese Marine Sponge of the Genus Parahigginsia

An undescribed Taiwanese marine sponge of the genus Parahigginsia yielded two new sesquiterpene hydrocarbons-parahigginine ( 1 ) and parahigginone ( 2 ). The structures of the new compounds were established on the basis of NMR spectroscopic and mass spectrometric data. Compounds 1 and 2 exhibited moderate cytotoxicity against murine P-388 and human KB-16, A-549, and HT-29 tumor cells.     

海绵 Rhaphisia pallida Ridley 中甾类成分的质谱分析

介绍从南沙海域采集的ＲｈａｐｈｉｓｉａｐａｌｌｉｄａＲｉｄｌｅｙ海绵样品中分离得到的混合甾类样品，采用气相色谱质谱法鉴定其组分。应用质谱裂解规律结合计算机检索确定了十一种甾体化合物的结构，其中两个是首次在海绵生物中发现的甾体激素化合物。     

海绵Phyllospongia sp.中两个新的Scalarane型二倍半萜

海绵Ｐｈｙｌｌｏｓｐｏｎｇｉａｓｐ．中两个新的Ｓｃａｌａｒａｎｅ型二倍半萜万一千，苏镜娱，曾陇梅，王明焱（中山大学化学系，广州，５１０２７５）关键词海绵，二倍半萜，分离，结构鉴定Ｐｈｙｌｌｏｓｐｏｎｇｉａ属含有丰富二倍半萜的海绵体［１～７］，从这种海...     

Nonrigid group theory for 1,3,5‐trimethylbenzene

Using nonrigid group theory, the full nonrigid (f‐NRG) group of 1,3,5‐trimethylbenzene (TMB) is shown to be isomorphic to the group S₃[C₃] = C₃ S₃ of order 162, where denotes the wreath product of groups, and C₃ is the cyclic group of order three and S₃ is the symmetric group of order six on three letters. This group has 22 conjugacy classes and irreducible representations. The character table of the full nonrigid TMB is then derived for the first time. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

Estimation of the Interfacial Tension Between the Lamellar and the Sponge Phases of a Lyotropic System

In lyotropic systems, the sponge and the lamellar phases possess the same local structure: a membrane made of a bilayer of surfactants. In the quasiternary lyotropic system CPCl/brine/hexanol, the bilayer is continuous through the interface between the lamellar and the sponge phases. A model based on this phenomenon has predicted a very low value of the interfacial free energy. The study of hydrodynamic relaxation time of distorted spherical lamellar droplets gives an estimation of the interfacial tension value. Results confirm the validity of the model and the dependence on membrane volume fraction is explained by a simple scaling law.     

南海黄蜂海绵中系列长链甲基酮成分分析

从中国南海海绵Spheciospongia Vagabunda乙酸乙酯萃取部分中分离出一组混合物,应用^13HNMR,^13CNMR,H-HCOSY和GC／MS等光谱分析技术对它们的结构进行了分析,主要为一些长链甲基酮化合物。共鉴定出二十四碳烯-2-酮异构体、二十四碳二烯-2-酮和二十四碳烯-2-酮等14种化合物,其中4种化合物的双键位置有待于进一步确定。     

中国南海海绵Seletta tenuis Lindgren中24-亚甲基-27-甲基胆甾醇的结构鉴定

自七十年代以来,已从海绵中发现了许多结构独特的、具有强烈生理活性的新化合物,有些已发展成为特效的药物。我们在研究中国南海海绵生物活性成分的过程中,从南海海绵Seletta teuuis Lindgren中分离出24-亚甲基-27-甲基胆甾醇(1)。虽然这个化合物已由De Luca等于1972年从海绵(Aplysina aerophoba)中发现了它。次     

Computing the full nonrigid group of tetra‐tert‐butyltetrahedrane using wreath product

The concept of symmetry group of nonrigid molecules as a permutation‐inversion group was formulated first by Longuet‐Higgins, although earlier works suggested the need for such a framework. Then Balasubramanian showed that these groups could be cast into elegant algebraic structures known as the wreath product of groups. In this study, we apply a similar method to that used by Balasubramanian to find the nonrigid group (NRG) of tetra‐tert‐butyltetrahedrane. Using the group theory package GAP, we calculate the conjugacy classes and character table of this molecule. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

Ceramides from the Taiwan Red Alga Ceratodictyon Spongiosum and Symbiotic Sponge Sigmadocia Symbiotica

The structure of a mixture of ceramides ( 1 ) de rived from 2‐amino‐4(E)‐alkene‐1,3‐diol sphingenines with C₂₂, C₂₃, and C₂₄ saturated fatty acid residues from red alga Ceratodictyon spongiosum ZANARDINI (Rhodymeniaceae) containing the symbiotic sponge Sigmadocia symbiotica has been elucidated on the basis of spectroscopic and chemical evidence. In addition, one new sterol, n‐nonadecanoic acid 24‐ methylenecholesteryl ester ( 2 ), and six known sterols were also isolated from the marine organisms.     

Subduction of Q-conjugacy representations and characteristic monomials for combinatorial enumeration

A new method of combinatorial enumeration is presented. The subduction of Q-conjugacy representations gives a characteristic subduction table and a characteristic monomial table. A cycle index is defined on the basis of such monomials and used for combinatorial enumeration of isomers. Received: 10 October 1997 / Accepted: 13 February 1998 / Published online: 17 June 1998     

Synthesis of marine sponge alkaloid hachijodine B and a comment on the structure of ikimine B and on the absolute configuration of niphatesine D

The syntheses of the proposed structures of hachijodine B 1, ikimine B 2 and niphatesine D 3 from S-citronellol are described. Our results suggest that the gross structures of hachijodine B and niphatesine D are correct, but that ikimine B was incorrectly assigned. We have also established that the previous absolute stereochemical assignment for niphatesine D is unreliable.     

Direct subduction of Q-conjugacy representations to give characteristic monomials for combinatorial enumeration

Characteristic monomials for a finite group are obtained by direct subductions of Q-conjugate representations. They are shown to give a generating function that is capable of solving enumeration problems. Received: 1 May 1998 / Accepted: 16 July 1998 / Published online: 18 September 1998     

Asymmetric synthesis of cytotoxic sponge metabolites R-strongylodiols A and B

The asymmetric synthesis of the marine sponge natural products, R-strongylodiols A 1 and B 2 using a minimum protection strategy is described. The chirality of the natural products was introduced via the Noyori asymmetric reduction of ynones.     

Nucleophilic Reactivity of the Thiophosphoryl Group

The difference in the nucleophilic reactivities of the and groups can be satisfactorily explained on the basis of Pearson's acid-base concept^[21]. The thiophosphoryl sulfur is a typical “soft base”, and reacts preferentially with sub-group B metals, halogens, and sp³ hybridized carbon, whereas it is largely inert to “hard acids” such as protons, carbonyl carbon, and tetrahedral phosphorus. Since a nucleophilic attack by the thiophosphoryl sulfur leads to a decrease in the charge density of the phosphorus atom, the latter (or the α-carbon atom in O-alkyl esters) becomes more open to nucleophilic attack. This reaction principle forms the basis of sulfur exchange, dealkylation, isomerization, and the Pistschimuka and Michalski reactions.     

糖合成中羟基的保护和去保护方法

糖中含有多个活泼的羟基.羟基的保护和去保护在有关糖的合成中具有很重要的意义.最常用的羟基保护基可归纳为三类:酯类、醚类和缩醛或缩酮类.作者对每一类中具体的羟基保护基的性质、应用作了简单综述,重点介绍了保护基的引入和脱去的方法.     

Stereospecific Transformations of Chiral Compounds Using Anchimeric Assistance of Arylthio and Arylseleno Group

A new chiral pool method is developed starting from readily available chiral oxiranes, the key step being the substitution reaction through the anchimeric assistance of the arylthio and arylseleno group. The overall transformation is the introduction of nucleopiles into the chiral carbon of the oxiranes with retention of the configuration.