南海赤潮有毒甲藻链状-塔马亚历山大藻的分子鉴定

以核糖体rDNAITS为分子指标,采用RFLP及序列分析方法对南海海域Alexandriumcatenella和Alexandriumtamarense进行分析和鉴定,并通过与日本海域不同海区A.tenella和A．tamarense的比较,得出A．catenella或A．tamarense的不同地理株的种内个体间ITS区序列非常相似,而种间序列则有显著差异,表明了ITS区用于不同海区A．catenella和A．tamarense种间鉴定是一个较稳定的指标．可看出,ITS区的研究从一个新的角度为海洋微藻种的界定提供了很好的依据．     

Determination of Precious Metal Concentrations in a Polymetallic Nodule Reference Sample from the Indian Ocean by ICP-MS

A polymetallic nodule reference sample (No. 2388)collected from the Indian Ocean, and seven other samples, two from the United States Geological Survey, USA (Nod-A-1 and Nod-P-1), three from Russia (OOPE 601, OOPE 602, and OOPE 603), and two from China (GSPN-2 and GSPN-3), collected from different loca tions, are available for calibration purposes and as control samples in the analytical programs for polymetallic nodules and associated sediments to ensure accurate measurements. They are not certified for precious metal concentrations, however, and the data available are very scanty. An attempt has been made to provide working values for platinum, palladium, gold, and silver and indicative values for osmium, iridium, and ruthenium in these eight ferromanganese nodule reference samples, using inductively coupled plasma mass spectrometry (ICP-MS). To assess the accuracy of the method, certified reference materials, WPR-1, WMS-1, WMG-1, and WGB-1 Canadian Certified Materials Project (CCRMP, Canada) were analyzed, and the data obtained were compared with the certified values. The estimate of analytical reproducibility was found to be better than 15 % RSD for most elements with comparable accuracy. The data presented for this set of manganese nodule reference samples may be useful in geochemical studies of manganese nodules and associated sediments.     

Molecular dynamics study of structural changes in berlinite

Fractional coordinates and anisotropic temperature factors of atoms in berlinite, AlPO₄ with the quartz topology, were successfully simulated in a molecular dynamics simulation (MDS) at high temperatures. Time-dependent and time-averaged atomic order parameters were analyzed in detail with the aid of spectral densities calculated from trajectory data. These parameters show characteristic behavior of the order-disorder regime for a structure change, where atoms spend most of the time oscillating around the ₁-sites (or ₂-sites) in the low temperature α-phase, but oscillate over both sites in the higher temperature α-phase and the β-phase. In the spectral density functions calculated for atom order parameters, a nearly zero-frequency excitation, which is accompanied by the emergence of large-scale ₁ and ₂ clusters, appears at the Γ point of the Brillouin zone below the transition point T _o, and increases in intensity up to T _o. A low-lying optic branch along Γ-M, which is strongly temperature dependent in the small q-region, is another characteristic of the spectral density functions for the β phase. The spectrum at Γ continuously reduces its frequency from 0.6 THz at temperatures far above T _o to nearly 0 THz at temperatures approaching T _o from above. The dynamical behavior in β berlinite rapidly but continuously changes from that in less oscillatory clusters in the vicinity of T _o to that in the typical β phase at temperatures departing from T _o. Received: 10 August 1998 / Revised, accepted: 18 February 1999     

Molecular characterisation of vitrinite in relation to natural hydrogen enrichment and depositional environment

The Py-GC/MS results of the study carried out on two groups of vitrinites (perhydrous and non-perhydrous) of different age and properties and on a trimaceralic coal associated with one of the perhydrous group are discussed. Such a study provides information about the effect of natural hydrogen enrichment on vitrinite structure at the molecular level. Moreover, the influence of the different conditions in the sedimentary environment on the chemical structure of the vitrinite is also discussed. This influence is inferred through differences in the distribution and relative amount of phenolic compounds found in the pyrolysates from two samples of two different coal-beds in the same basin but formed under different paleoenvironmental conditions. For vitrinites with a high H/C atomic ratio, despite having a strong perhydrous character, their pyrolysates exhibit the highly phenolic signature typical of lignin-derived material with only minor aliphatic compounds. Thus, the major chemical structural elements in these vitrinites are simple phenols with a high contribution of para alkyl-substituted derivatives. However, there is no parallel relationship between the evolution of the oxygenated functionalities and the reflectance values. From the results obtained a coalification pathway where hydrogenation processes predominate over thermal ones is proposed. The presence of resin-like substances and/or oils (which are two of the causes of natural hydrogen enrichment) in the molecular structure of vitrinites have, therefore, affected the normal evolution of the lignin and contributed to the special properties of this type of materials.     

Molecular dynamics study of pressure-induced transformation of quartz-type GeO2

We simulated quartz-type GeO₂ and investigated its high-pressure transformation using the molecular dynamics (MD) simulation method with a model potential. The calculated results under hydrostatic compression indicated that a pressure-induced amorphization of quartz-type GeO₂ originated from the mechanical instability of the quartz lattice as, in previous theoretical studies of SiO₂. Furthermore, quartz-type GeO₂ directly transformed to a rutile-like structure with only subtle displacements of ions under σ _{x y} imposed shear stressed decompression. This is the first reproduction of the quartz-to-rutile transformation. A possible pathway of this transition is proposed in this study. Received: 14 April 1999 / Revised, accepted: 11 August 1999     

基于网络药理学和分子对接技术探讨罗汉果治疗糖尿病的作用机制

目的：运用网络药理学和分子对接技术探讨罗汉果治疗糖尿病的作用机制。方法：通过TCMSP平台和Swiss Target Prediction数据库筛选出罗汉果的活性成分及其靶点;利用GeneCard、TTD、OMIM数据库筛选出糖尿病潜在靶点;采用Cytoscape 3.7.2软件构建药物-活性成分-疾病-靶点的可视化网络;通过STRING数据库对关键靶点构建蛋白质-蛋白质相互作用（PPI）网络;利用Metascape数据库进行基因本体（GO）功能以及京都基因与基因组百科全书（KEGG）通路富集分析;利用Autodock4和Pymol软件对关键活性成分和关键靶点进行分子对接分析和可视化。结果：筛选出有效成分18种,糖尿病靶点146个。GO功能富集分析得到GO条目572条,KEGG通路富集分析得到信号通路167条。分子对接结果显示β-谷甾醇、山柰酚、罗汉果醇等关键活性成分与原癌基因酪氨酸蛋白激酶（SRC）等关键靶点的亲和力较高。结论：罗汉果通过多靶点、多通路发挥抗糖尿病的作用,其关键活性成分通过与SRC、丝氨酸/苏氨酸蛋白激酶1（AKT1）、丝裂原活化蛋白激酶3（MAPK-3）等靶点调节晚期糖基化终末产物-糖基化终末产物受体（AGE-RAGE）、缺氧诱导因子1（HIF-1）、磷脂酰肌醇-3-激酶/蛋白激酶（PI3K-Akt）等信号通路起到治疗糖尿病的作用。     

基于线粒体CO1基因的DNA条形码在石首鱼科(Sciaenidae)鱼类系统分类中的应用

采用CO1基因特异扩增测序及与GenBank已有序列联配分析的方法,进行了石首鱼科19属30种鱼类75个CO1基因片段的序列比较和系统进化研究,结果表明,石首鱼科鱼类该片段的平均GC含量为48.3%,其中第2密码子位点含量最高(51%-58.4%,平均56.6%),第1密码子变化范围最大(27.6%-54.1%,平均44.9%),第3密码子差别较小(41.6%-43.6%,平均42.7%)。依据Kimura-2-parameter模型,30种石首鱼科鱼类种内遗传距离平均值为0.006,种间为0.210,种间遗传距离是种内的35倍;在分子系统树上,28个种(93.3%)可形成单系,18个属(94.7%)可聚为独立的分支;与形态学分类不同的是,由黑鳃梅童鱼(Collichthys lucidus)与棘头梅童鱼(C.niveatus)的遗传距离(0.004)推断二者遗传变异尚未达到种的分化水平,灰鳍彭纳石首鱼(Pennahia anea)与白姑鱼(Argyrosomus argentatus)的形态学特征相似性和条形码序列同源性都提示二者可能为同种异名,而红牙(Otolithes ruber)印度洋和南海两个地理群体间的遗传分化已经达到种的水平。本研究证明线粒体CO1基因可作为DNA条形码对石首鱼科鱼类进行有效的物种鉴定,亦可用于探讨石首鱼科的属、种分类单元系统发育问题。     

The massive hot core associated with G31.41+0.31

We have used the IRAM Plateau de Bure Interferometer to observe the ground state and vibrationally excited lines of Methyl Cyanide towards the UCHII region G31.41+0.31. We also obtained a map of the continuum emission at a frequency of 110 GHz. We detect a hot molecular core in the emission both of methyl cyanide and of the 110 GHz continuum. We estimate a temperature of 200 K and a mass of 1000 M for this compact massive region. We also detect a velocity gradient or shift across the methyl cyanide core whose origin could be due to rotation.     

无机材料在海洋药物分离分析中的应用

综述了无机材料在海洋天然活性物质分离、分析中的应用,从材料的设计、分离机制、制备方法、表面的改性等方面初步的探讨了无机材料在活性物质分离、分析的应用前景和存在的问题。文中还介绍了一门新兴分离技术即分子印迹技术,它在分子识别中有着特殊的选择性。鉴于大孔树脂吸附技术的大规模应用和分离高效性,提出了我课题组正在研制的多孔陶瓷微球的应用背景和取得的工作成果。     

海带浸泡液腐植质的分离及其性质

对海带综合利用生产中剩下的浓缩浸泡液所含腐植质进行了分离,并对分离出的腐植酸、富里酸和乙醇可溶物三级分做了化学表征和性质研究,包括三级分的得率、紫外和红外光谱分析,元素、官能团、氨基酸和总糖含量分析,分子量分布,以及它们对鱼卵生长和褐藻酸钠粘度的影响。