取代异噻唑啉酮类化合物抗菌活性的定量构效关系研究

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。     

分子修饰在多糖构效关系研究中的应用

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。     

北极沉积物中正构烷烃的组合特征及古沉积环境的研究

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.     

养护期介入电迁阻锈保障混凝土耐久性试验研究

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。     

军港码头采用不同延寿修复技术比较研究

介绍电渗阻锈、电化学脱盐和阻锈剂自然渗透三种延寿修复技术在军港码头上的试验情况.试验结果表明,三种技术抑制钢筋的腐蚀,其中电渗阻锈技术不仅能脱出混凝土内部的氯离子,同时还能将有效的阻锈成份快速渗透到钢筋表面,处理时间短、阻锈效果好.     

钢筋混凝土结构电渗阻锈技术研究

通过测量电渗阻锈过程中阻锈剂渗入量、脱盐率以及钢筋极化电阻,研究了混凝土技术参数和电渗电量对电渗阻锈效果的影响.试验结果表明,电渗阻锈技术能在脱除盐污染混凝土中氯离子的同时,将有效阻锈基团快速迁移到钢筋表面,使已腐蚀的钢筋快速恢复钝化而达到防腐的目的.     

黄河口及近海表层沉积物中烃类化合物的组成和分布

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。     

2-[[(2-氨基苯基)亚胺]苯甲基]-4-氯苯酚晶体结构的量子化学研究

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.     

湖北麻城金罗家遗址古文化层的正构烷烃分布及其古植被意义

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。     

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

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.     

Microbial Biomass and Organic Nutrients in the Deep-Sea Sediments of the Central Indian Ocean Basin

In order to assess the impact of deep-sea mining on the in situ benthic life, we measured the microbial standing stock and concentration of organic nutrients in the deep-sea sediments of the Central Indian Ocean Basin in the Indian pioneer area. Sediments were collected using box core and grab samples during September 1996. The total bacterial numbers ranged from 10 10 -10 11 cells per g -1 dry weight sediment. There was a marginal decrease in the number of bacteria from surface to 30 cm depth, though the subsurface section registered a higher number than did the surface. The highest numbers were encountered at depths of 4-8 cm. The retrievable number of bacteria were two orders less in comparison with the direct total counts of bacteria. An almost homogeneous distribution of bacteria, total organic carbon, living biomass, and lipids throughout the depth of cores indicates active microbial and benthic processes in the deep sea sediments. On the other hand, a uniform distribution of total counts of bacteria, carbohydrates, and total organic carbon in all the cores indicates their stable nature and suggests that they can serve as useful parameters for long-term monitoring of the area after the benthic disturbance. Further studies on temporal variability in this region would not only verify the observed norms of distribution of these variables but would also help to understand restabilization processes after the simulated benthic disturbance.     

A Review of Some Environmental Issues Affecting Marine Mining

This article reviews information recently available from existing marine and coastal mining for responses to environmental issues affecting marine mining at different depths. It is particularly but not exclusively concerned with those issues affecting seabed biodiversity impact and recovery. Much information has been gathered in the past 10 years from shallow mining operations for construction aggregate, diamonds, and gold, from coastal mines discharging tailings to shallow and deep water, and from experimental deep mining tests. The responses to issues identified are summarized in a series of eight tables intended to facilitate site-specific consideration. Since impacts can spread widely in the surface mixing layer SML, and can affect the biologically productive euphotic zone, the main issues considered arise from the depth of mining relative to the SML of the sea. Where mining is below the SML, the issue is whether it is environmentally better to bring the extraction products to the surface vessel for processing (and waste discharge), or to process the extraction products as much as possible on the seabed. Responses to the issues need to be sitespecific, and dependent on adequate preoperational environmental impact and recovery prediction. For deep tailings disposal from a surface vessel, there are four important environmental unknowns: (1) the possible growth of "marine snow" (bacterial flocs) utilizing the enormous quantities of fine tailings particles (hundreds or thousands of metric tons per day) as nuclei for growth, (2) the possibility that local keystone plankton and nekton species may migrate diurnally down to and beyond the depth of deep discharge and hence be subjected to tailings impact at depth, (3) the burrow-up capability of deep benthos and their ability to survive high rates of tailings deposition, and (4) the pattern and rate of dispersion of a tailings density current through the deep water column from discharge point to seabed. Actions to obtain relevant information in general and site-specifically are suggested.     

Increased Particle Fluxes at the INDEX Site Attributable to Simulated Benthic Disturbance

Particle fluxes were measured 7 m above the sea bottom during the predisturbance, disturbance, and postdisturbance periods by using time series sediment traps attached to seven deep-sea moorings deployed in the INDEX experiment site in the Central Indian Basin. The predisturbance particle fluxes varied between 22.3 to 55.1 mg m -2 day -1 . Increased and variable particle fluxes were recorded by the sediment traps during the disturbance period. The increase observed was 0.5 to 4 times more than the background predisturbance fluxes. The increases in particle fluxes (~4 times) recorded by the sediment trap located in the southwestern direction (DMS-1) were the greatest, which could be the result of preferential movement of resuspended particles generated during the deep-sea benthic disturbance along the general current direction prevailing in this area during the experimental period. Also, the traps located closer to the disturbance area recorded greater fluxes than did the traps far away, across the Deep Sea Sediment Resuspension System path. This variability in recorded particle fluxes by the traps around the disturbance area clearly indicates that physical characteristics such as grain size and density of the resuspended particles produced during the disturbance had an important effect on particle movement. The postdisturbance measurements during ~5 days showed a reduction in particle fluxes of ~50%, indicating rapid particle settlement.     

Assessing the Validity of Seismo-Acoustic Predictor Equations for Obtaining Seabed and Sub-Surface Sediment Physical Properties

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.     

Geoacoustic Inversion via Genetic Algorithm and Its Application to Manganese Sediment Identification

An acoustic inversion method using a wide-band signal and two near field receivers is proposed and applied to multiple layered seabed models including a manganese sediment. The inversion problem can be formulated into a probabilistic model comprised of signals, a forward model, and additive noise. The forward model simulates wide-band signals, such as chirp signals, and is chosen to be the source-waveletconvolution plane wave modeling method. The wavelet matching technique, using weighted least-squares fitting, estimates the sediment sound-speed and thickness on which determination of the possible numerical ranges for a priori uniform distribution is based. The genetic algorithm is applied to a global optimization problem to find a maximum a posteriori solution for determined a priori search space. Here the object function is defined by an L 2 norm of the difference between measured and modeled signals. Not only the marginal pdf but also its statistics are calculated by numerical evaluation of integrals using the samples selected during importance sampling process of the genetic algorithm.     

海上大直径钢管桩打桩过程中桩周土强度弱化研究

海上大直径钢管桩打桩过程中,桩周土体受到强烈扰动而发生强度弱化,掌握桩周土体强度弱化规律对于准确预测打桩过程、保证工程安全具有重要意义。为研究土体强度弱化规律,开展了环剪试验模拟打桩对桩周土体的扰动,测试土体强度随剪切速率的变化规律,建立了描述土体强度弱化规律的拟合公式,引入到打桩分析软件中。研究结果表明：土体的强度折减程度不仅与土体本身的性质有关还受到土体的埋深和剪切速率的影响,埋深越深土体强度折减程度越低,剪切速率越高土体强度折减越高,在打桩分析中可采用这里推荐的线性折减方法来模拟不同深度处土体强度的折减规律。     

Determination of In Situ Sediment Shear Strength from Advanced Piston Corer Pullout Forces

The advanced piston corer (APC) has been used by the Ocean Drilling Program since 1985 for recovering soft sediments from the ocean floor. The pullout force measured on extracting the core barrel from the sediment is shown to correlate with the average shear strength of the sediment core measured in the ship's laboratory. A simple rule of thumb is derived relating the shear strength of the sediment to the pullout force. Multiple APC holes at individual sites allow the consistency of the pullout measurements to be assessed. The effects of different operational procedures during APC coring are also explored. Although generally applicable, the correlation between pullout force and laboratory measurements of shear strength breaks down for some APC holes, possibly because of the disturbance of some sediment types during the APC coring process. A better understanding of the physical process of APC coring, and its effect on the properties of the sediment both inside and immediately outside the core barrel, would indicate what confidence can be put on the measurement of pullout force as a way of evaluating the in situ shear strength of deep sea sediments.     

Interannual Sea Level Variations and Annual Tides in the Northwestern Pacific

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.     

《Acta Oceanologica Sinica》Vol. 33(2014) contents

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