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.     

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。     

Phylogenetic diversity and phenotypic characterization of cultivable bacterioplankton isolated from polar oceans

A set of 27 marine planktonic bacteria isolated from the polar regions was characterized by 16S rDNA sequencing and physiological and biochemical testing. More than half of these bacteria were positive for caseinase, gelatinase and 13-glucosidase, and could utilize glucose, maltose or malic acid as carbon source for cell growth. Twelve isolates expressed nitrate reduction activities. Except for one antarctic isolate BSwlO175 belonging to Actinobacteria phylum, these isolates were classified as γ-Proteobacteria, suggesting that γ-Proteobacteria dominated in cultivable marine bacterioplankton at both poles. Genus Pseudoalteromonas was the predominant group in the Chukchi Sea and the Bering Sea, and genus ShewaneUa dominated in cultivable bacterioplankton in the Prydz Bay. With sequence similarities above 97%, genus Psychrobacter was found at both poles. These 27 isolates were psychrotolerant, and significant 16S rDNA sequence similarities were found not only between arctic and antarctic marine bacteria （ 〉 99% ）, but also between polar marine bacteria and bacteria from other aquatic environments （ ≥ 98.8% ）, including temperate ocean, deep sea, pond and lake, suggesting that in the polar oceans less temperature-sensitive bacteria may be cosmopolitan and have a bipolar, even global, distribution at the species level.     

Estimation of Sediment Properties during Benthic Impact Experiments

Sediment properties, such as water content and density, have been used to estimate the dry and wet weights, as well as the volume of sediment recovered and discharged, during benthic impact experiments conducted in the Pacific and Indian Oceans. The estimates show that the weights of dry (355-1332 t) and wet sediment (1651-4888 t) recovered during the experiments, are not only a function of the total duration and distance covered during the experiment, but also depend on water content and density of the sediment. Estimation of dry sediment and its volumetric ratio in the discharge, are key parameters for calculating the discharged volume. The estimated volume of wet sediment recovered (1427-4049 m 3 ) as well as discharged (2693-6951 m 3 ) during the experiments, provide important inputs to evaluate the sediment resettlement and migration. Using these estimates, the average depth of excavation on the seafloor, can also been calculated. However, the stages of sediment recovery and discharge are expressed differently in some of the experiments. In order to standardize these, different stages have been identified, and definitions of certain terms have been suggested, for use in the future. The methods of calculating different properties, as well as weight and volume of discharged sediment are described in the paper for use in other applications concerning deep-sea discharges.     

A Tidal Flow Model for the Gulf of Kachchh, India

A vertically integrated model has been used to study the tidal circulation and currents in the Gulf of Kachchh along the west coast of India. The model is fully nonlinear and uses a semiexplicit finite difference scheme to solve the basic hydrodynamic equations on a staggered grid. The model is forced by prescribing the tides along the open boundary of the model domain. The flow is simulated both with and without the presence of the proposed tidal barrage across the Hansthal Creek in the Gulf of Kachchh. The results show a considerable change in the behavior of the tidal flow in the presence of the barrage.     

利用中国GF-3卫星SAR和HY-2A卫星微波散射计的首次台风联合定量观测

<正>The typhoon,as a mature tropical cyclone that develops in the western part of the North Pacific Ocean with high wind speed and heavy rainfall,is one of the most lethal and costly of natural disasters for the densely populated countries of East Asia.It can be easily detected by space-borne sensors operated at microwave,visible or infrared bands(Liu et al.,2014).Synthetic Aperture Radar(SAR)is     

离子交换—原子吸收光谱法测定海水中痕量铜、铅、锌、镉、铁、锰

本文介绍了用国产D401型螯合树脂分离富集海水中铜、铅、锌、镉、铁、锰等痕量元素,并用原子吸收光谱仪测定其含量的方法。讨论了各元素的分离条件选择及干扰元素的影响,并与溶剂萃取法的结果作了比较。各元素检测的定量下限为:铜0.5μg/L、铅0.1μg/L、锌1.0μg/L、镉0.01μg/L、铁2.0μg/L、锰2.0μg/L。方法精密度在4—8％之间,回收率为90—102％。     

Biogeochemistry of Mangrove Soil Organic Matter: a Comparison BetweenRhizophoraandAvicenniaSoils in South-eastern Brazil

Soil core samples fromRhizophora mangleL. andAvicennia schauerianaStapf & Leech forests from south-eastern Brazil were analysed for their total organic matter content and their sugars, amino acid and amino sugars composition. Organic carbon and nitrogen contents were higher inAvicenniathan inRhizophorasoils. The contribution of sugars and amino acids to the total organic carbon pool was constant with depth inRhizophorasoils whereas inAvicenniasoils it increased. Spectral distribution of sugars and amino acids showed a dominance of Ca-affine monomers, particularly acidic amino acids, and the sugar arabinose. Biogeochemical indicators derived from ratios of individual sugar and amino acid monomers confirm previous studies which showed that organic matter in both soils is mainly of mangrove origin. The results further suggest accumulation of organic matter inRhizophorasoils and a continuing degradation of organic matter inAvicenniasoils. The latter may thus release more nutrients to adjacent ecosystems thanRhizophorasoils.     

A review of orange roughy Hoplostethus atlanticus fisheries,estimation methods,biology and stock structure

Orange roughy Hoplostethus atlanticus are unusual fish. They form dense aggregations that have fuelled lucrative fisheries at great depths (600–1 400 m), especially off Namibia, New Zealand and Australia. They are thought to be very long-lived (>100 years, maturity at 22 – 40 years), and to have exceptionally low natural mortality (M = 0.045–0.064 year^?1) and slow growth rates (K = 0.055–0.070 year^?1). In addition, they spawn large eggs and have low fecundity. These factors combine to make orange roughy highly susceptible to overfishing; most stocks are below 30% of pristine levels. Assessments are obtained from indices of catch rate and trawl, acoustic and egg surveys. Acoustic estimates are the most direct, but are confounded by the species' low target strength (?50 to ?53 dB)–attributable to the wax-filled swim bladder. Extracellular wax esters are stored in abundance and comprise mostly mono-unsaturated fatty acids, with low concentrations of the ω-3 fatty acid family. This unusual composition (resultant from the species' diet) ensures neutral buoyancy. Stock separation has been inferred mainly from biological studies, but genetic studies have also found differences among stocks within New Zealand and Australia. Deep-water habitat may be damaged by trawling operations and may take many years to recover, so in some quarters there is a call for a portion of suitable habitat to be set aside for preservation. Although Namibian orange roughy are shallower, smaller and younger than those in other stocks, the Namibian fishery sustained high catches for only a few years before quotas were reduced, from 12 000 to 1 875 tons. Three management lessons are suggested for developing orange roughy fisheries based on the Namibian experience: (1) imposition of catch limits during exploratory fishing; (2) starting the acoustic surveys earlier in the fishery, if possible; (3) greater reliance on trends in catch rate until a survey series has been established.