Molecular mechanics and quantum mechanical modeling of hexane soot structure and interactions with pyrene

Molecular simulations (energy minimizations and molecular dynamics) of an n-hexane soot model developed by Smith and co-workers (M. S. Akhter, A. R. Chughtai and D. M. Smith, Appl. Spectrosc., 1985, 39, 143; ref. 1) were performed. The MM+ (N. L. Allinger, J. Am. Chem. Soc., 1977, 395, 157; ref. 2) and COMPASS (H. Sun, J. Phys. Chem., 1998, 102, 7338; ref. 3) force fields were tested for their ability to produce realistic soot nanoparticle structure. The interaction of pyrene with the model soot was simulated. Quantum mechanical calculations on smaller soot fragments were carried out. Starting from an initial 2D structure, energy minimizations are not able to produce the observed layering within soot with either force field. Results of molecular dynamics simulations indicate that the COMPASS force field does a reasonably accurate job of reproducing observations of soot structure. Increasing the system size from a 683 to a 2732 atom soot model does not have a significant effect on predicted structures. Neither does the addition of water molecules surrounding the soot model. Pyrene fits within the soot structure without disrupting the interlayer spacing. Polycyclic aromatic hydrocarbons (PAH), such as pyrene, may strongly partition into soot and have slow desorption kinetics because the PAH-soot bonding is similar to soot–soot interactions. Diffusion of PAH into soot micropores may allow the PAH to be irreversibly adsorbed and sequestered so that they partition slowly back into an aqueous phase causing dis-equilibrium between soil organic matter and porewater.     

Genomic resources for the spotted ragged-tooth shark Carcharias taurus

Genomic data can be a useful tool in the management and conservation of biodiversity. Here, we report the development of genomic resources for the spotted ragged-tooth shark Carcharias taurus using genome-wide DNA data from Illumina next-generation sequencing. We explored two commonly used genetic marker types: microsatellites and mitochondrial DNA. A total of 4 394 putative microsatellites were identified, of which 10 were tested on 24 individuals and found to have ideal properties for population genetic analyses. Additionally, we reconstructed the first complete mitochondrial genome of a South African spotted ragged-tooth shark, and highlight the most informative gene regions to facilitate future primer design. The data reported here may serve as a resource for future studies and can ultimately be applied in the sustainable conservation and fisheries management of this apex predator.     

华南西部地区晚中生代与W-Sn矿有关花岗岩的年代学格架及地质意义

华南西部地区是我国重要的大型-超大型锡多金属矿床分布区。本文根据近年来新获得的花岗岩LA-ICP-MS锆石U-Pb数据,结合近几年以来新报道的高精度成岩成矿年代学资料和地球动力学研究进展,总结发现华南西部地区中生代岩浆-成矿作用的时代主要集中在晚白垩世(76～98Ma)。通过分别总结华南东、西部地区晚白垩岩浆作用及相应的成矿作用的特征,发现华南东、西部的成岩成矿作用特征表现出明显的差异,但是这两地内部各自却表现出高度的一致性;且东部地区明显要比西部地区更为复杂,但二者之间的共同点在于该时期均处于岩石圈伸展的环境和壳幔间的相互作用明显。晚白垩世华南西部地区主要受控于华南陆块陆内背景下岩石圈伸展而导致的岩浆-成矿作用这一因素,而东部地区除此之外还受到太平洋古板块北北东向走滑带来的影响。     

Quantifying the largest aggregation of giant trevally Caranx ignobilis (Carangidae) on record: implications for management

The giant trevally Caranx ignobilis (Forsskål) is an important apex predatory fish typically associated with coral reef communities. It is prized in recreational and commercial fisheries, yet little is known about its aggregation dynamics and susceptibility to fishing pressure. This study reports on a previously undocumented aggregation of mature giant trevally observed over a period of eight years (2010–2017) at Ponta do Ouro Partial Marine Reserve in southern Mozambique. The aggregation is one of the few recorded for this carangid in the western Indian Ocean and represents the first subtropical aggregation of giant trevally. The aggregation is also the largest recorded for this species, with up to 2 413 individuals representing an estimated biomass of approximately 30 tonnes. The size and predictability of this annual aggregation make it vulnerable to overexploitation and point towards the need for an appropriate conservation management strategy.     

新疆东天山觉罗塔格地区花岗岩类年代学、构造背景及其成矿作用研究

东天山觉罗塔格地区岩浆岩非常发育,以花岗岩类分布最为广泛,对其研究还较为薄弱。本文对觉罗塔格地区主要的花岗岩类岩体系统开展了地质特征研究并进行了同位素精确测年,报道了区内16个主要花岗岩类岩体的锆石LA-ICPMS U-Pb年龄：镜儿泉岩体376.9±3.1Ma、西凤山岩体349.0±3.4Ma、石英滩岩体342±11Ma、长条山岩体337.4±2.8Ma、天目岩体320.2±3.1Ma、百灵山岩体317.7±3.7Ma、白石泉岩体303±18Ma、迪坎岩体288.0±2.5Ma、黄山岩体288±17Ma、白山东岩体284.5±4.5Ma、管道岩体284.1±5.8Ma、红石岩体282.7±4.2Ma、陇东岩体276.2±2.5Ma、多头山岩体271.7±5.5Ma、双岔沟岩体252.4±2.9Ma、土墩岩体246.2±2.6Ma,上述定年结果为研究区岩浆活动与区域构造演化及深部过程的关系研究提供了可靠的年代学支持。结合前人已有的部分年代学成果认为,觉罗塔格地区花岗岩类的形成年龄分布在386~230Ma之间,岩浆活动可分为晚泥盆世(386.5~369.5Ma)、早石炭世(349~330Ma)、晚石炭世-晚二叠世(320~252Ma)、早中三叠世(246~230Ma)等4个阶段。前3个阶段岩浆活动具有持续时间逐渐变长、岩浆活动逐渐加剧的特点,并在第三阶段达到顶峰,而第四阶段岩浆活动则明显变弱。花岗岩类岩浆活动在时空分布上表现为,自哈尔里克-大南湖岛弧带→阿奇山-雅满岛弧带→康古尔-黄山韧性剪切带,岩体侵位由早到晚; 自研究区东部→中西部→沿韧性剪切带,岩体侵位由老到新。结合区域构造演化研究成果认为,觉罗塔格地区花岗质岩浆活动与区域构造演化具有很强的耦合关系,花岗岩类在前碰撞阶段、主碰撞阶段、后碰撞阶段、板内阶段等4个构造演化阶段均有发育,与花岗岩类在时间分布上的4个阶段完全对应,其中尤以后碰撞构造演化阶段花岗岩类的分布最广泛、岩浆活动最强烈。觉罗塔格地区与4个阶段花岗岩类有关的成矿作用由早到晚具有无明显矿化→斑岩型铜矿、火山岩型铁矿→韧性剪切带型金矿、夕卡岩型银(铜)矿→斑岩-石英脉型钼矿的演化特点,其中以对应于主碰撞阶段的斑岩型铜矿和后碰撞阶段的韧性剪切带型金矿最为发育。本文系统阐述了东天山觉罗塔格地区中酸性岩体的时空格架、与区域构造演化的耦合、与成矿作用的关系,为北疆地区晚古生代特别是后碰撞背景下的岩浆演化及其成矿关系的研究提供了有力支持。     

东天山自然铜矿化带玄武岩的起源、演化及成岩构造背景

新疆东天山地区与玄武岩有关的自然铜矿化带位于东天山觉罗塔格构造带内,自西向东有十里坡、黑龙峰、长城山、东尖峰等主要矿(化)点,自然铜矿化主要发育在玄武岩、杏仁状玄武岩及凝灰岩夹层中。本文基于玄武岩的地球化学特征,研究东天山自然铜矿化带玄武岩是否与地幔柱有关、岩浆源区性质、岩浆演化、成岩构造背景等问题。研究显示,东天山自然铜矿化带玄武岩与地幔柱岩浆活动无直接关系,整个天山地区是否存在石炭-二叠纪地幔柱岩浆活动也需要进一步的研究; 玄武岩起源于亏损岩石圈地幔,是演化岩浆的产物; 演化的玄武质岩浆形成后,在岩浆房中或上升至地表的过程中没有发生明显的分离结晶作用,也没有受到明显的地壳物质混染; 与玄武岩对应的地幔橄榄岩平衡原生岩浆演化的高镁岩浆的产物,可能为东天山地区与铜镍硫化物成矿有关的基性-超基性岩,指示这些铜镍硫化物矿床可能与地幔柱岩浆活动也没有关系; 玄武岩形成于新疆北部后碰撞构造阶段的伸展期,是在拉张应力体制下,由于软流圈上涌导致岩石圈地幔部分熔融而形成。     

Willingness to pay for marine-based tourism in the Ponta do Ouro Partial Marine Reserve,Mozambique

Marine and coastal ecosystems face widespread degradation largely because market failure hides the economic value of the goods and services they provide. Marine protected areas (MPAs) can serve as structures that ensure the continued functioning of marine and coastal ecosystem goods and services. Yet, to be effective and sustainable, MPAs must be able to prove their economic worth and generate revenue. User-fee systems are used commonly to partially finance multi-use MPAs. This study applies contingent valuation as a method of economic valuation within an MPA in southern Mozambique. Using a payment card and questionnaire from November 2012 to April 2013, this study determined the willingness to pay (WTP) of three user groups for access to the Ponta do Ouro Partial Marine Reserve. The study also investigated the potential for the reserve to increase revenues for conservation through the implementation of a user fee for marine-based activities. Probit and ordinary least squares (OLS) regressions were used to determine the effects of various independent variables on WTP. The OLS model found income, African residency and environmental awareness to be significant factors that influenced visitors' WTP for access to the reserve. The mean WTP was R 43.75 (South African rands) per person per day. Using data supplied by the reserve management, conservative estimated annual revenues based on the implementation of this fee amount ranged between R 1.46 million and R 3.3 million.