生物基化工与材料产业技术的开发与探索

本文阐述了中国石油化工集团公司(中国石化)在生物基化工与材料领域的探索路径和发展战略,介绍了中国石化近年来在生物基单体、生物基材料与可降解材料等领域开展的创新实践及取得的阶段性成果,主要包括乳酸—聚乳酸、丁二酸/二元醇—生物可降解材料、长链二元酸—生物基尼龙以及生物质芳烃—聚对苯二甲酸乙二酯(PET)等技术领域.提出了建立生物基化工与材料科学技术平台、突破关键技术、发展新兴产业等建议.     

基于改进LGDF模型的超声图像自动分割方法

基于局部高斯分布拟合能量(LGDF)模型的图像分割方法,对初始轮廓选取及参数选择较敏感.如果初始轮廓手动选取不当会由于陷入局部极小值而导致分割失败,且分割速度较慢.针对以上不足,提出了一种改进的LGDF模型的超声图像自动分割方法.该方法的正则化项由具有双极值点的势函数构成,在水平集函数进化过程中,可以避免由单极值点势函数造成的水平集函数震荡和扭曲,从而加快了收敛;另外,将局部熵阈值分割的结果作为LGDF模型的初始轮廓,接近真实轮廓,可以克服手动选取初始轮廓的影响.实验结果表明,该方法能自动获取合适的超声图像初始轮廓,并得到较好的分割结果,同时大大提高了分割速度.     

基于碳点的发光材料在潜在手印显现中的应用

遗留在犯罪现场的肉眼不可见的潜在手印是一类重要的痕迹物证,检验鉴定前需要使用一定技术手段将其显现出来。近年来,一些新材料和新技术的引入为手印显现技术的革新注入了新活力,其中稀土发光材料、量子点、荧光金属纳米簇等发光材料在该领域展现出极大潜力。碳点作为具有良好光致发光性能的新型纳米材料,近来逐渐引起了手印显现领域研究人员的广泛关注。本文综述了两类基于碳点材料的手印显现技术国内外研究进展,分别是液体分散碳点用于手印显现和固态发光碳点用于手印显现。具体来说,液体分散碳点显现手印的原理主要基于传统小微粒悬浮液机理或一些特殊效应(咖啡环效应、界面偏析效应);用于手印显现的固态发光碳点包括固态碳点粉末和固态碳点复合粉末两类,合成这些材料时研究人员采用了不同的策略。最后,从三个方面分析了碳点在手印显现应用中面临的问题,即碳点物理形貌和表面性质、碳点光致发光性质以及碳点显现过程与化学生物分析兼容性,并就解决问题的可能途径提出了展望。     

Development and validation of high-performance liquid chromatography method for analysis of β-CCT and its related substances

Compound 2β-carbomethoxy-3β-(4-chlorophenyl)tropane (β-CCT) is a key intermediate for the synthesis of some clinical dopamine transporter (DAT) imaging agents. Potential impurities from synthesis process of β-CCT and degradation during storage might have detrimental effect on the final imaging agents. Thus, it is necessary to guarantee the quality of β-CCT. In this study, a rapid, sensitive and accurate high-performance liquid chromatography (HPLC) method was developed and validated for the analysis of β-CCT and its related substances. The chromatographic separation was achieved on a reverse-phase phenomenex? Gemini C18 column with an isocratic mobile phase consisted of methanol, water and TFA (30:70:0.1 v/v/v). The flow rate was 1.0 mL/min at 30 °C and samples were monitored at 220 nm. The method was validated concerning system suitability, linearity, accuracy, precision, specificity, robustness and stability. The limit of detection (LOD) and the limit of quantification (LOQ) of β-CCT were 0.5 and 1.5 μg/mL, respectively. The linearity range of β-CCT was 1.5–450 μg/mL with a good linear correlation coefficient (R² = 0.9999) between the peak response and concentration. Specificity investigation through forced degradation experiments displayed that β-CCT was stable in acidic, thermal and photolytic degradation conditions, but significantly unstable in alkaline and oxidative conditions. With the developed chromatographic method, possible impurity α-CCT from synthetic process and potential degradation products could be well separated from β-CCT. Good recovery and precision were manifested in the assay method. These results indicated that the present method would be suitable for not only the quality assurance of β-CCT in regular production sample assays but also the monitoring and determination of its related substances.     

Focal Point Evaluation of Energies for Tautomers and Isomers for 3-hydroxy-2-butenamide: Evaluation of Competing Internal Hydrogen Bonds of Types -OH…O=, -OH…N, -NH…O=, and CH…X (X=O and N)

The title compound is a small molecule with many structural variations; it can illustrate a variety of internal hydrogen bonds, among other noncovalent interactions. Here we examine structures displaying hydrogen bonding between carbonyl oxygen and hydroxyl H; between carbonyl oxygen and amino H; hydroxyl H and amino N; hydroxyl O and amino H. We also consider H-bonding in its tautomer 2-oxopropanamide. By extrapolation algorithms applied to Hartree-Fock and correlation energies as estimated in HF, MP2, and CCSD calculations using the cc-pVNZ correlation-consistent basis sets (N = 2, 3, and 4) we obtain reliable relative energies of the isomeric forms. Assuming that such energy differences may be attributed to the presence of the various types of hydrogen bonding, we attempt to infer relative strengths of types of H-bonding. The Atoms in Molecules theory of Bader and the Local Vibrational Modes analysis of Cremer and Kraka are applied to this task. Hydrogen bonds are ranked by relative strength as measured by local stretching force constants, with the stronger =O…HO- > NH…O= > -OH…N well separated from a cluster > NH…O= ≈ >NH…OH ≈ CH…O= of comparable and intermediate strength. Weaker but still significant interactions are of type CH…N which is stronger than CH…OH.     

Supercritical Fluid Extract of Putranjiva roxburghii Wall. Seeds Mitigates Fertility Impairment in a Zebrafish Model

Putrajeevak (Putranjiva roxburghii Wall.; synonym Drypetes roxburghii (Wall.) Hurus) seeds have been used since ancient times in the treatment of infertility in the Ayurvedic system of medicine in India. In this study, the oil component of Putrajeevak seeds (PJSO) was extracted using the supercritical fluid extraction (SCFE) method using liquid CO₂ and the constituents were analyzed using gas chromatography-flame ionized detectorand high-performance thin-layer chromatography. PJSO contained trace amounts of β-sitosterol with oleic and linoleic acids as the major fatty acid constituents. Male and female zebrafish were mutagenized with N-ethyl-N-nitrosourea (ENU) and fish that produced less than 20 viable embryos were selected for the study. SCFE oil extracts from the P. roxburghii seeds were used in this study to reverse fertility impairment. The mutant fish were fed with PJSO for a period of 14 days and the rates of fertility, conception, and fecundity were determined with wild-type healthy fish as a breeding partner. Treatment with PJSO increased the ovarian follicle count as well as the number of mature eggs, while reducing the number of ovarian cysts. Sperm count as well as sperm motility were greatly enhanced in the ENU-mutagenized male zebrafish when treated with PJSO. The results obtained in this study demonstrate the effectiveness of P. roxburghii seed oil in reversing impaired fertility in both male and female zebrafish models.     

化学系统性思维的背景、应用与特征*

当今地球与社会系统所面临的可持续发展、气候变化、环境退化等全球性挑战问题,用还原主义方法不足以应对,需要化学教育等领域的工作者采用系统性思维方法。梳理了国外学者在应用化学系统性思维理解化学学科系统复杂性、化学学习系统层级性、化学教育系统整合性的研究进展。概述了化学系统性思维具有重视跨学科关联、整体综合思考目标系统问题、强调可持续发展的全球观念等特征。建议加强化学教育内外部系统的协作,注重各学段化学课程与教学的跨学科、系统性,重视学生解决化学问题的认识方式差异。     

初中化学“溶液”的项目式教学*——白砂糖的梦想之路

以“白砂糖的梦想之路”为项目学习主题,呈现了初中化学“溶液”的项目教学案例。基于棒棒糖的制作过程开发了系列学习任务,有助于学生在真实的问题情境中发展核心素养和构建灵活的知识基础。     

Structural and immunogenicity analysis of reconstructed ancestral and consensus P48/45 for cross-species anti malaria transmission-blocking vaccine

The development of the anti-malaria vaccine holds a promising future in malaria control. One of the anti-malaria vaccine strategies known as the transmission-blocking vaccine (TBV) is to inhibit the parasite transmission between humans and mosquitoes by targeting the parasite gametocyte. Previously, we found that P48/45 included in the 6-Cysteine protein family shared by Plasmodium sp. We also detected vaccine properties possessed by all human-infecting Plasmodium and could be used as a cross-species anti-malaria vaccine. In this study, we investigated the efficacy of P48/45 through the ancestral and consensus reconstruction approach. P48/45 phylogenetic and time tree analysis was done by RAXML and BEAST2. GRASP server and Ugene software were used to reconstruct ancestral and consensus sequences, respectively. The protein structural prediction was made by using a psipred and Rosetta program. Each protein characteristic of P48/45 was analyzed by assessing hydrophobicity and Post-Translational Modification sites. Meanwhile, the Epitope sequence for B-cell, T-cell, and HLA was determined using an immunoinformatics approach. Lastly, molecular docking simulation was done to determine native binding interactions of P48/45-P230. The result showed a distinct protein characteristic of ancestral and consensus sequences. The immunogenicity analysis revealed the number of epitopes in the ancestral sequence is greater than the consensus sequence. The study also found a conserved epitope located in the binding site and consists of specific Post-Translational Modification sites. Hence, our research provides detailed insight into ancestral and consensus P48/45 efficacy for the cross-species anti-malaria vaccine.