Molecular Structure of Kerogen in the Longmaxi Shale: Insights from Solid State NMR,FT‐IR,XRD and HRTEM

Kerogen plays an important role in shale gas adsorption, desorption and diffusion. Therefore, it is necessary to characterize the molecular structure of kerogen. In this study, four kerogen samples were isolated from the organic-rich shale of the Longmaxi Formation. Raman spectroscopy was used to determine the maturity of these kerogen samples. High-resolution transmission electron microscopy (HRTEM), 13C nuclear magnetic resonance (13C NMR) , X-ray diffraction (XRD) and Fourier transform infrared (FT-IR) spectroscopy were conducted to characterize the molecular structure of the shale samples. The results demonstrate that VReqv of these kerogen samples vary from 2.3% to 2.8%, suggesting that all the kerogen samples are in the dry gas window. The macromolecular carbon skeleton of the Longmaxi Formation kerogen is mainly aromatic (fa’=0.56). In addition, the aromatic structural units are mainly composed of naphthalene (23%), anthracene (23%) and phenanthrene (29%). However, the aliphatic structure of the kerogen macromolecules is relatively low (fal*+falH=0.08), which is presumed to be distributed in the form of methyl and short aliphatic chains at the edge of the aromatic units. The oxygen-containing functional groups in the macromolecules are mainly present in the form of carbonyl groups (fac=0.23) and hydroxyl groups or ether groups (falO=0.13). The crystallite structural parameters of kerogen, including the stacking height (Lc=22.84 ?), average lateral size (La=29.29 ?) and interlayer spacing (d002=3.43 ?), are close to the aromatic structural parameters of anthracite or overmature kerogen. High-resolution transmission electron microscopy reveals that the aromatic structure is well oriented, and more than 65% of the diffractive aromatic layers are concentrated in the main direction. Due to the continuous deep burial, the longer aliphatic chains and oxygen-containing functional groups in the kerogen are substantially depleted. However, the ductility and stacking degree of the aromatic structure increases during thermal evolution. This study provides quantitative information on the molecular structure of kerogen samples based on multiple research methods, which may contribute to an improved understanding of the organic pores in black shale.     

从自然控制论看黄河上游人工增雨

用自然控制论原理和方法,从理论上探讨了用人工增雨来解决黄河断流所遇到的一些问题及解决方案.结果表明,只有在黄河上游地区增加降水才可以缓解黄河断流问题,河曲地区是最佳人工增雨区.针对河曲有限区域人工调控天气问题,首次提出了解决人工增雨的正问题与反问题的概念.在此基础上,给出了河曲地区人工增雨的概念模型.     

我国新记录绿潮物种Ulva laetevirens的比较叶绿体基因组学研究

在全球范围内广泛暴发的石莼属绿潮既包括大规模暴发的跨海域绿潮,也包括小规模暴发的局地绿潮。我国有关绿潮致灾物种的研究对象主要集中于黄海绿潮浒苔,而针对局地绿潮致灾物种的研究尚处于起步阶段。针对局地绿潮物种的鉴定和分布调查是有效预防和监测潜在大规模绿潮暴发的重要环节。本文对2020年11月初于山东烟台第一海水浴场暴发的石莼属绿潮进行了初步研究。经随机采样获得了12株藻体,根据tufA分子标记初步将其中11株鉴定为Ulvalaetevirens。本研究完成了U. laetevirens的一个代表性株系CNS00533的叶绿体基因组构建和解析。叶绿体基因组为110 889 bp,含有71个蛋白编码基因、27个tRNA基因和3个rRNA基因(rrl、rrn和rrn5)。烟台海域U.laetevirens株系叶绿体基因组基因组成和排列顺序与爱尔兰海域U.laetevirens株系MT179351完全一致,DNA序列相似性为99.8%,进一步证明CNS00533为U.laetevirens。此外,U.laetevirens的烟台株系与爱尔兰株系的叶绿体基因组也存在差异,烟台株系比爱尔兰株系多了5个I型内含子和1个II型内含子,导致叶绿体基因组长度增加7kb。CNS00533与U.rigidaMT179352叶绿体基因组之间存在多个不同的长片段插入序列(763—2 346 bp), DNA序列相似性也较低(93.1%);与U. australis MT179348相比差异更大,存在一个较大(覆盖45个基因)的基因组反转事件。在基于71个蛋白编码基因的遗传进化树中, CNS00533与U. laetevirens MT179351聚类在一枝,与U. rigida MT179352遗传距离较近,与U. australis MT179348的遗传距离很远,表明U. laetevirens、U. rigida和U. australis为石莼属的3个不同物种。2020年11月烟台海域局地绿潮事件的原因种U. laetevirens在我国近海绿潮事件中首次报道,本研究对该物种的分子进化分析将有助于对我国近海绿潮监测、物种鉴定提供数据支持和理论依据。     

基于网络药理学和分子对接探讨左金丸治疗肝癌的作用机制

目的：运用网络药理学和分子对接方法探讨左金丸治疗肝癌的作用机制。方法：从TCMSP和BATMAN-TCM数据库获取左金丸的化合物及其相应靶点,检索GeneCards、OMIM和TTD 3个数据库获得肝癌的相关靶基因,取两者靶基因交集得到左金丸治疗肝癌的预测靶基因;运用Cytoscape 3.7.1软件构建左金丸-化合物-靶点-肝癌和PPI网络图;运用R软件对预测靶基因进行GO和KEGG富集分析;最后运用分子对接技术对关键化合物和靶点进行验证。结果：共获取左金丸35个化合物及173个相应靶点,左金丸与肝癌的共同靶点有103个。PPI结果表明AKT1、MAPK1、TP53、JUN和RELA可能为左金丸治疗肝癌的关键靶点。富集分析示左金丸可能通过乙型肝炎、卡波西肉瘤相关疱疹病毒感染、人巨细胞病毒感染、丙型肝炎、MAPK信号通路、肝癌等信号通路抗肝癌。分子对接结果示槲皮素和黄连素均能与AKT1和MAPK1稳定结合。结论：本研究初步揭示了左金丸通过多成分、多靶点、多通路治疗肝癌的作用机制,为后续左金丸治疗肝癌提供理论参考。     

Researches on the Internal Molecular Weight Uniformity of Chitosan Biomaterials

Uniform molecular weight(Mw)chitosan(CS)is highly demanded in medical biomaterial industry.This present article described heterogeneous degradation of CS in aqueous HCl/ethanol solution,in which progress uniform Mw CS was successfully prepared.The Mw distribution of CS was measured by gel permeation chromatography(GPC)analysis.Moreover,the structure and properties of degraded CS were characterized by Fourier transform infrared spectroscopy(FT-IR),nuclear magnetic resonance spectroscopy(^1H NMR),X-ray diffraction(XRD)and thermogravimetric(TG)analysis.In addition,the biocompatibility of degraded CS was also assessed by hemolysis rate(HR)measurement.The Mw of CS dramatically decreased from 246 KDa to 76 k Da at the initial 30 min,and stabilized at 18 kDa after 24 h.GPC analysis results showed that the degraded CS molecular become homogenization.FT-IR and 1 H NMR analysis confirmed the basic structure of CS molecular backbone was not destroyed during this progress.Besides,the water solubility of CS was not significantly influenced by this reaction.Moreover,the XRD analysis revealed that crystallinity of degraded CS increased from 70.32% to 99.25%with time.The TG analysis showed improved thermal stability of degraded CS.HR measurement demonstrated the degraded CS possessed excellent biocompatibility.This simple and efficient heterogeneous degradation would open up a new route to produce uniform Mw CS.     

关于发展人工影响天气数值模式的一些问题

人工影响天气的学科基础是中小尺度天气动力学与云降水物理学,需要将天气-动力-云降水物理耦合为一体。考虑到目前将天气动力学性质的基础数值模式用于人工影响天气中的问题,从数值模式动力方程、模式分辨率、云物理过程、数值求解方案、初边值条件等方面系统地探索了发展人工影响天气数值模式中一些需要重点解决、且不可忽视的特色问题,并举例对相关问题提出了解决思路和方法。期望提出的问题有助于构思更适合于人工影响天气数值模式,使数值模式功能真正向满足人工影响天气的要求靠近一步。     

济阳坳陷古近纪沟鞭藻分子化石的分布与控制因素

济阳坳陷古近纪沟鞭藻化石十分丰富,沟鞭藻为有机质富集层的形成作出了重要贡献。三芳甲藻甾烷和甲藻甾烷是沟鞭藻及其祖先在古代沉积物中两种重要的存在形式,并且它们几乎专一性地由沟鞭藻提供。研究发现,沟鞭藻的不同属种,德弗兰藻属、多刺甲藻属、渤海藻类等,均可以提供丰富的三芳甲藻甾烷和甲藻甾烷,但是三芳甲藻甾烷和甲藻甾烷对沉积环境的变化具有不同的响应。在淡水、半咸水、咸水等不同水介质条件下,三芳甲藻甾烷指数稳定分布在0.50～0.96之间,高丰度的三芳甲藻甾烷与地层中丰富的沟鞭藻化石相一致,因而三芳甲藻甾烷是指示沟鞭藻输入的有效分子化石。甲藻甾烷的丰度与古沉积环境存在密切关系,高盐环境有利于甲藻甾烷的形成和保存,随着盐度的降低甲藻甾烷指数在0.04～0.74这样一个较大的范围内变化,其发育程度与有机质沉降过程中和成岩作用早期遭受的微生物降解作用有关,强烈的生物降解不利于甲藻甾烷的保存。     

物联网在人工影响天气装备弹药管理中的应用

本研究以物联网技术为基础,利用条码、二维码和射频电子标签标识、射频扫码技术、声光电自动感应技术、GPS/GIS技术进行信息采集,建立人工影响天气装备弹药物联网管理系统,实现人工影响天气装备弹药从生产、验收、转运、仓储到发射作业的全程监控。在北京、陕西、贵州、河南4个地区进行试点开发研究,根据有源/无源射频识别(RFID)、二维码/条形码、火箭弹/高炮炮弹以及信息采集技术分别开展不同技术模式的应用试验,将弹药信息按照统一格式汇集至国家级物联网系统,有效提高了全国人工影响天气装备弹药信息采集的准确性和时效性,并结合有效传感器、无线通信技术,解决了大范围内的作业数据自动化采集及地面作业信息实时监控,提高人工影响天气作业安全管理的科技水平和业务信息化现代化程度,对全国开展人工影响天气装备物联网建设工作具有较强的参考价值。