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取代异噻唑啉酮类化合物抗菌活性的定量构效关系研究 总被引：1，自引：0，他引：1
用密度泛函理论(DFT)和逐步回归分析方法对具有抗菌活性的18种新合成的取代异噻唑啉酮类化合物进行了定量构效关系(QSAR)研究。在B3LYP/6-31G(d,p)水平上,对异噻唑啉酮类化合物进行了构型全优化,并提取部分量子化学参数,通过逐步多元回归分析,筛选了影响抗菌活性的主要因素,建立了定量构效关系方程。结果表明,C(5)的亲核电子密度fCN(5)与S(1)-N(2)的键级BS(1)-N(2),是影响异噻唑啉酮类化合物抗大肠杆菌活性的主要因素,所得QSAR模型对该类化合物抗菌活性有较好的预测效果。 相似文献
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分子修饰在多糖构效关系研究中的应用 总被引：10，自引：0，他引：10
分子修饰可改变多糖结构和生物活性,是多糖构效关系及其药物研究的有效手段;而构效关系研究结果又指导着多糖分子修饰的方向,为其药物设计、研究和开发提供理论支持。本文综述了分子修饰在多糖构效关系研究中的作用,并对分子修饰在多糖类药物研究中的应用前景进行了展望。 相似文献
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北极沉积物中正构烷烃的组合特征及古沉积环境的研究 总被引：6，自引：2，他引：6
报道了北极楚科奇海和白令海沉积物中正构烷烃的含量和分布类型,并通过因子分析方法对正构烷烃的来源和古沉积环境加以初步探讨.研究结果表明,正构烷烃碳数分布范围多数在nC15～nC33之间,分布类型有两种,第1种高分子碳范围,MH为nC25～nC27,CPI大于1,奇偶优势显著.第2种低分子碳范围,MH为nC17～nC20,奇偶优势不明显.以上特征指示了正构烷烃来源于陆源高等植物和海洋内生两个部分,并且以陆源贡献最大.楚科奇海和白令海大部分测站的Pr/Ph小于1,指示了缺氧还原沉积环境.因子分析结果与样品中正构烷烃不同分子组成特征相互对应. 相似文献
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沿海地区氯盐侵蚀会对混凝土结构造成严重的耐久性问题,混凝土设计使用寿命难以保障。对于新建工程,若在自由水含量较高混凝土养护期进行电迁阻锈处理,则有利于电迁移性阻锈剂在钢筋周围聚集以达到更佳的阻锈效果。为此,针对两种电迁移性阻锈剂对处于氯盐侵蚀环境中的混凝土适用性展开研究,并测试了干湿循环前后混凝土内钢筋电化学参数、氯离子扩散特征及钢筋周围电迁移性阻锈剂含量研究两种电迁移性阻锈剂对混凝土耐久性保障的作用。结果表明,试验中养护期介入电迁阻锈后试件阻锈效果良好,经过干湿循环后钢筋腐蚀电位正向高于-162.6 m V,同时,钢筋附近出现明显的阻锈剂聚集现象,能保持钢筋的钝化状态。 相似文献
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为探讨黄河口近海表层沉积物有机质中烃类化合物的分布特征及输运过程,2003年9月采集了南北两个断面表层沉积物样品,对沉积物中正构烷烃和多环芳烃进行了分析,结果表明,黄河口表层沉积物中正构烷烃和多环芳烃的含量分别为0.38~2.55和0.371~0.650μg/g。在南北断面两种烃类化合物的分布明显不同:北断面受石油平台影响,烃类化合物在口门含量较高;南断面受黄河输入影响,由于大颗粒易于沉降,而吸附烃类化合物的能力较强的小颗粒易长距离输运,使这两种烃类化合物的含量从河口到近海整体呈上升的趋势。与北断面相比,南断面受水生源影响相对较弱,而且水生源的贡献随着离岸距离的增加而加强,在最大浑浊带后水生源急剧增强;在南断面多环芳烃主要来源为热解源,北断面多环芳烃受热解源和石油污染的共同影响。 相似文献
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采用密度泛函理论(DFT)B3LYP方法,运用Gaussian03量子化学程序包,在B3LYP/6-31G*基组水平上对合成的化合物2-[[(2-氨基苯基)亚胺]苯甲基]-4-氯苯酚的晶体结构进行优化,计算了分子稳定构型的总能量、前线分子轨道能量、原子自然电荷布局、自然键轨道(NBO)及稳定化能等.计算结果与通过单晶X-射线衍射法测得的晶体结构的实验结果吻合.此项研究可为异双希夫碱配体及其金属配合物的合成及实际应用提供理论参考. 相似文献
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利用气相色谱-质谱联用仪(GC-MS)对湖北麻城金罗家遗址古文化层样品进行了系统分析,检测出丰富的类脂物分子,包括正构烷烃、一元正脂肪酸、一元正脂肪醇和α-正构脂肪酮等,主要讨论正构烷烃类脂物的分布特征。正构烷烃的分布在各文化层不同,其中,在生土层以C17为主峰;西周文化层F2和F4两样品以C17和C31为双主峰,F3样品以C17为主峰;东周文化层主要以C17和C31为双主峰,而F 7以C31为主峰,F9以C17为主峰;唐宋文化层以C17和C31为双主峰;明清文化层以C31为主峰,现代耕植土层以C29为主峰。而正构烷烃高碳数C27/C31比值的变化反映出遗址域中木本植物与草本植物的相对变化,正构烷烃高碳数ACL值反映遗址域中的草本植物与木本植物之间的转变,有机δ13C表现为C3和C4植物,它们在本剖面上表现出多阶段的变化。因此,正构烷烃在不同的人类古文化层具有不同的分布特征,除了反映当时的微生物活动、植物属种的相互取代或分子沉积后的改造作用外,还可能蕴藏着当时的气候变化和古人类活动的信息,有待进一步研究。 相似文献
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秋茄和榕树叶片中正构烷烃分布和单体化合物δ13C值及其光合作用 总被引：1，自引：0，他引：1
对深圳福田、阳江、海南新竹红树林秋茄Kandelia candel及海口榕树Ficusm icrocarpa叶中类脂物进行萃取,分离出正构烷烃,通过气相色谱(GC)及色谱-质谱(GC MS)分析,测出了正构烷烃的碳数分布和相对含量.气相色谱-稳定同位素比质谱仪(GC-IRMS)测定了正构烷烃单体化合物的稳定同位素组成δ13C.秋茄叶和榕树叶正构烷烃的碳数分布均为C17C33,主要集中在C23-C31(＞90%).化合物含量最高为C27的有深圳福田秋茄、海南新竹秋茄、海口榕树,而阳江秋茄为C25.单体化合物的稳定同位素δ13C深圳福田秋茄为-31.42‰-34.48‰,阳江秋茄为-31.69‰-33.62‰,海南新竹秋茄为-30.30‰-33.04‰,海口榕树为-29.92‰33.56‰;平均值分别为-32.95‰、32.67‰、31.67‰、-31.74‰.结果表明,秋茄和陆地植物榕树的光合作用都是通过C3途径,是典型C3植物. 相似文献
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Arne Schnack-Friedrichsen Angela M. Davis Jim D. Bennell Dei G. Huws 《Marine Georesources & Geotechnology》2001,19(4):221-243
The interdependence between the seismo-acoustic properties of a marine sediment and its geotechnical/physical parameters has been known for many years, and it has been postulated that this should allow the extraction of geotechnical information from seismic data. Though in the literature many correlations have been published for the surficial layer, there is a lack of information for greater sediment depths. In this article, a desktop study on a synthetic seafloor model illustrates how the application of published near-surface prediction equations to subsurface sediments (up to several tens of meters burial depth) can lead to spurious predictions. To test this further, acoustic and geotechnical properties were measured on a number of sediment core samples, some of which were subjected to loading in acoustically-equipped consolidation cells (oedometers) to simulate greater burial depth conditions. For low effective pressures (representing small burial depths extending to around 10 meters subsurface), the general applicability of established relationships was confirmed: the prediction of porosity, bulk density, and mean grain size from acoustic velocity and impedance appears generally possible for the investigated sedimentary environments. As effective pressure increases through, the observed relationships deviate more and more from the established ones for the near-surface area. For the samples tested in this study, in some instances increasing pressure even resulted in decreasing velocities. There are several possible explanations for this abnormal behavior, including the presence of gas, overconsolidation, or bimodal grain size distribution. The results indicate that an appropriate depth correction must be introduced into the published prediction equations in order to obtain reliable estimates of physical sediment properties for greater subsurface depths. 相似文献
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Shigehisa Nakamura 《Marine Geodesy》2000,23(1):55-61
Specific properties of the interannual sea level variations and annual tides in the Northwestern Pacific were studied. Several tide stations were monitored. The monthly mean sea level for the year of 1995 was analyzed at each tide station. A seismic event in 1995, some tectonic activity around the subject area, and the Kuroshio (the oceanic western boundary current) may possibly contaminate results which would have occurred from the astronomical annual tide alone. 相似文献
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The effect of different fixation and storage protocols on the flow cytometric (FCM) simultaneous analysis of bacterioplankton and phytoplankton in coastal seawater samples (Mediterranean coastal lagoons) was investigated. FCM measurements (cell number, fluorescence and scatter characteristics) were obtained through DAPI staining. Three fixatives [glutaraldehyde (GA), formaldehyde (FA) and paraformaldehyde (PFA)] and two storage (3 months duration) methods (5 °C and −196 °C) were tested. Two dominant populations were detected in studied samples: bacteria and eukaryotic picophytoplankton. Adding fixatives (2% final concentration) appears necessary to obtain FCM exhaustive counts of all the bacteria and phytoplanktonic cells. This was related to the permeation effect of fixatives which allowed a better DAPI staining of the cells. Maximum fluorescence, i.e. optimal staining of the cells was obtained with FA or PFA, and significant lower fluorescences with GA. Fixed samples stored at 5 °C induced rapid cell loss. Only storage in liquid nitrogen of samples fixed with FA or PFA, allows mid-term (≥4 months) preservation of bacteria or picophytoplankton cell numbers, and limited evolution of DAPI-induced fluorescence and scatter characteristics. 相似文献
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《海洋学报(英文版)》2014,(9):F0003-F0003
<正>Acta Oceanologica Sinica(AOS)is a comprehensive academic journal edited by the Editorial Committee of Acta Oceanologica Sinica and is designed to provide a forum for important research papers of the marine scientific community which reflect the information on a worldwide basis.The journal publishes scholarly papers on marine science and technology,including physics,chemistry,biology, 相似文献
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The relationship between the flux of exotic benthic foraminiferal tests (i.e. tests which are supplied from open-sea sources alone) in a tidal inlet and that of bulk sediment was analysed, which can be expressed as two first-order linear equations. According to this relationship, in order to determine net sediment transport directions in the entrance, the test concentration in surficial sediments of the tidal basin can be compared against a ‘ critical level ’. The critical level is determined for the conditions that no net transport of bulk sediment is present within the entrance. If the observed concentration (averaged over the tidal basin) is higher than the simulated critical level, then the net sediment transport is directed to landward. This method is applied to the analysis of net sand transport at Christchurch Harbour, a tidal inlet system located in southern England. In this investigation, concentrations of exotic foraminiferal tests in the surficial sediments of the tidal basin and ebb tidal delta area were obtained from the analysis of sea-bed sediment samples. A series of probable critical levels were calculated based upon the data sets with regard to: (1) sediment discharge from the rivers; (2) magnitude of sediment discharge within the entrance during the ebb; (3) the test concentration outside the harbour; (4) the thickness of the moving layer; and (5) two parameters associated with dispersive processes. The results show that the concentration in the tidal basin sediment is higher than a number of simulated critical concentrations for representative cases. Consequently, the high level of the concentration of exotic benthic foraminiferal tests within the harbour should be explained as a result of landward net transport of sands within the entrance. 相似文献
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The behaviour of an axially pre-loaded cylindrical member of an offshore structure, hit by a supply ship, has been investigated. The effects of axial pre-loading on the dynamic properties of members, the extent of damage and propagation of dynamic instability in the tubular members have also been investigated. Numerical models have been validated using available experimental data from the literature although these are mostly static with no pre-loading. Axial pre-loading was found to change the dynamic characteristics of some cylindrical members quite dramatically while it had no significant effect on others. The study examined whether there was any change in the behaviour between local and global modes when the loading was dynamic rather than static. The effect of damping on the dynamic instability of axially pre-loaded tubes under lateral dynamic loads was also studied. It was observed that for some geometries the quasi-static response can be used to define the boundary between bounded and unbounded dynamic responses. The main contribution of this study, compared with previous investigations reported in the literature, is that both pre-loading and dynamic effects have been included. 相似文献
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Rahul Sharma 《Marine Georesources & Geotechnology》2000,18(3):237-250
Observations on seafloor features from subbottom profiling and seabed photography data show that the undisturbed and natural conditions before the benthic disturbance undergo a substantial change after operation of the disturber. The effects can be seen in the form of deep trenches and grooves, formed by the action of the sleds and the pumping of the sediment along its path, as well as sediment piles on either side of the track. Biological traces such as fecal coils, casts, tubes, burrows, and trails get obliterated in the areas of disturbance and resedimentation. The smooth, uniform nature of the seafloor observed in predisturbance phase shows microtopographic changes in and around the disturbed area as a result of sediment excavation and resettlement. Vertical mixing as well as lateral transport of sediment alter the geological, biological, physical, and chemical conditions on the seafloor, which need to be monitored over time to assess the process and the time taken for restoration of environmental conditions. 相似文献
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Vance P. Vicente 《Marine Ecology》1989,10(2):179-191
Abstract. Long-term changes in the distributional patterns of commercial sponges ( Spongia spp. and Hippospongia spp.) within the West Indian Region indicates that: 1) commercial sponges had a widespread distribution throughout the whole West Indian Region and were ubiquitous in very shallow water until about the first half of the present century; 2) they were fished commercially not only in the traditional northern Caribbean sites (Florida, Gulf of Mexico, Bahamas) but also in the Greater ( e. g. , Hispaniola, Jamaica) and Lesser Antilles; and 3) they became extinct throughout most of the Lesser Antilles ( e. g. , Puerto Rico, Vieques, St. Thomas) sometime during the first half of this century. Mortalities of spongiids within the Antilles were found to differ from other marine mortalities in that: 1) species disappeared from a large region; 2) species vanished from different habitats and depths; and 3) natural populations never recovered. Species richness patterns suggest that commercial sponge genera ( Spongia and Hippospongia ) evolved under slightly cooler elimatic conditions than those found at present, and that these extinctions occurred as a direct or indirect effect of positive thermal anomalies in sea surface and atmospheric temperatures between 1900–1950. The concept that species diversity is stable on a regional scale is questioned. 相似文献