关于开设内光电效应实验的探索与思考

介绍了开设以内光电效应为理论基础的半导体光电器件的重要性和迫切性,并详细介绍了内光电效应的理论与半导体光电器件的分类和应用前景。     

Towards the stable chelation of radium for biomedical applications with an 18-membered macrocyclic ligand

Targeted alpha therapy is an emerging strategy for the treatment of disseminated cancer. [²²³Ra]RaCl₂ is the only clinically approved alpha particle-emitting drug, and it is used to treat castrate-resistant prostate cancer bone metastases, to which [²²³Ra]Ra²⁺ localizes. To specifically direct [²²³Ra]Ra²⁺ to non-osseous disease sites, chelation and conjugation to a cancer-targeting moiety is necessary. Although previous efforts to stably chelate [²²³Ra]Ra²⁺ for this purpose have had limited success, here we report a biologically stable radiocomplex with the 18-membered macrocyclic chelator macropa. Quantitative labeling of macropa with [²²³Ra]Ra²⁺ was accomplished within 5 min at room temperature with a radiolabeling efficiency of >95%, representing a significant advancement over conventional chelators such as DOTA and EDTA, which were unable to completely complex [²²³Ra]Ra²⁺ under these conditions. [²²³Ra][Ra(macropa)] was highly stable in human serum and exhibited dramatically reduced bone and spleen uptake in mice in comparison to bone-targeted [²²³Ra]RaCl₂, signifying that [²²³Ra][Ra(macropa)] remains intact in vivo. Upon conjugation of macropa to a single amino acid β-alanine as well as to the prostate-specific membrane antigen-targeting peptide DUPA, both constructs retained high affinity for ²²³Ra, complexing >95% of Ra²⁺ in solution. Furthermore, [²²³Ra][Ra(macropa-β-alanine)] was rapidly cleared from mice and showed low ²²³Ra bone absorption, indicating that this conjugate is stable under biological conditions. Unexpectedly, this stability was lost upon conjugation of macropa to DUPA, which suggests a role of targeting vectors in complex stability in vivo for this system. Nonetheless, our successful demonstration of efficient radiolabeling of the β-alanine conjugate with ²²³Ra and its subsequent stability in vivo establishes for the first time the possibility of delivering [²²³Ra]Ra²⁺ to metastases outside of the bone using functionalized chelators, marking a significant expansion of the therapeutic utility of this radiometal in the clinic.

The therapeutic alpha-emitter ²²³Ra can be stably complexed in vivo, creating opportunities for the development of targeted radiopharmaceutical agents with this radionuclide.     

非晶硅太阳电池的光伏检测磁共振研究

本文利用光伏检测磁共振(PDMR)方法初步研究了p⁺in⁺ a-Si:H太阳电池中与自旋状态有关的复合机制。研究表明太阳电池的制作工艺不同,相应的PDMR共振信号的线型和g因子亦不同,因而起支配作用的复合过程不同。根据PDMR结果讨论了a-Si:H膜的生长速度、衬底温度、本征层厚度等对太阳电池性能的影响。 关键词：     

QM/MM study of the taxadiene synthase mechanism

Combined quantum mechanics/molecular mechanics (QM/MM) calculations were used to investigate the reaction mechanism of taxadiene synthase (TXS). TXS catalyzes the cyclization of geranylgeranyl diphosphate (GGPP) to taxadiene (T) and four minor cyclic products. All these products originate from the deprotonation of carbocation intermediates. The reaction profiles for the conversion of GGPP to T as well as to minor products were calculated for different configurations of relevant TXS carbocation complexes. The QM region was treated at the M06-2X/TZVP level, while the CHARMM27 force field was used to describe the MM region. The QM/MM calculations suggest a reaction pathway for the conversion of GGPP to T, which slightly differs from previous proposals regarding the number of reaction steps and the conformation of the carbocations. The QM/MM results also indicate that the formation of minor products via water-assisted deprotonation of the carbocations is highly exothermic, by about −7 to −23 kcal/mol. Curiously, however, the computed barriers and reaction energies indicate that the formation of some of the minor products is more facile than the formation of T. Thus, the present QM/MM calculations provide detailed insights into possible reaction pathways and into the origin of the promiscuity of TXS, but they do not reproduce the product distribution observed experimentally. © 2019 Wiley Periodicals, Inc.     

Multi-scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins

Evaluating the availability of molecular oxygen (O₂) and energy of excited states in the retinal binding site of rhodopsin is a crucial challenging first step to understand photosensitizing reactions in wild-type (WT) and mutant rhodopsins by absorbing visible light. In the present work, energies of the ground and excited states related to 11-cis-retinal and the O₂ accessibility to the β-ionone ring are evaluated inside WT and human M207R mutant rhodopsins. Putative O₂ pathways within rhodopsins are identified by using molecular dynamics simulations, Voronoi-diagram analysis, and implicit ligand sampling while retinal energetic properties are investigated through density functional theory, and quantum mechanical/molecular mechanical methods. Here, the predictions reveal that an amino acid substitution can lead to enough energy and O₂ accessibility in the core hosting retinal of mutant rhodopsins to favor the photosensitized singlet oxygen generation, which can be useful in understanding retinal degeneration mechanisms and in designing blue-lighting-absorbing proteic photosensitizers.     

怀菊花中微量铁的测定

为探讨邻二氮菲分光光度法测定怀菊花中微量元素铁含量的可行性,怀菊花的药理功效、食用营养价值与微量元素含量可能存在的关系,根据铁离子与特定显色剂显色产生可见吸收,采用混合酸y（HNO3）：V（HClO4）=4＋1对怀菊花样品湿法消化处理,在pH2～9的溶液中试剂与铁生成稳定的橙色络合物,并用分光光度法测定了怀菊花中微量元素铁含量。结果表明,所选的怀菊花中铁含量303．9～337．9μg／g,加标回收率为90．2％～100．6％。分光光度法操作简便、干扰离子少,测量快速、结果准确度和灵敏度高,易推广和 普及使用。     

关于强Armendariz环和强拟Armendariz环

提出了强拟Armendariz环的概念,给出了强Armendariz环和强拟Armendariz环上的一些结果.     

旋流燃烧器复合小火焰模型的大涡模拟

对低旋燃烧器内的流动和燃烧进行了大涡模拟,其中化学反应分别采用传统的扩散小火焰模型和所提出的复合小火焰模型描述。复合小火焰模型借助于燃烧区索引的概念区分当地的燃烧模式,若当地的燃烧为扩散燃烧,则调用扩散小火焰库,否则调用预混小火焰库。数值结果与实验数据的对比表明,采用大涡模拟方法结合小火焰模型能够很好地模拟实验室尺度的低旋燃烧器,且采用复合小火焰模型能够得到更加符合实际的结果。     

丝瓜中维生素C含量的测定

为建立丝瓜中维生素C含量直接测定的新方法,以10%盐酸溶液为溶剂,采用紫外分光光度法测定其含量。结果表明,维生素C在0～10 mg/L质量浓度范围内与吸光度呈良好的线性关系,回归方程为:y=0.047 46ρ+0.001 09,r=0.999 7。检出限为0.023μg/mL,加标回收率在90.6%～99.0%之间。该法操作简单,结果准确,应用于维生素C含量的测定,结果准确,令人满意,可作为控制维生素C质量的方法。