基于ZY-3 CCD相机数据的暗像元大气校正方法分析与评价

ZY-3是我国首颗民用高空间分辨率光学传输型立体测图卫星, 可为国土资源调查、生态环境监测等发挥重要作用, 而大气校正是制约其广泛定量应用的关键问题之一。由于实测地面光谱数据和大气参数难以实时获取, 针对这种情况下如何反演得到高空间分辨率卫星精确的地表反射率这一问题, 基于2012年内蒙古野外实验实测数据, 对四种暗像元大气校正方法进行了分析与评价研究。分析了四种暗像元大气校正算法中的关键参数对ZY-3 CCD数据应用效果的影响, 结果表明: (1)四种暗像元大气校正方法在第1,2和3波段均有明显的校正效果, 其中DOS4方法在第4波段大气校正效果最好, DOS1和DOS3方法在第4波段大气校正效果不明显, DOS2方法在第4波段大气校正效果最差。(2)DOS1方法大气校正结果在4个波段的相对误差均大于10%。DOS2方法在第1波段校正效果最好(AE=0.001 9和RE=4.32%), 而在第4波段校正误差最大(AE=0.0464和RE=19.12%)。DOS3方法大气校正结果在4个波段的相对误差均约10%左右。(3)DOS4方法大气校正结果在4个波段的绝对误差均小于0.02和相对误差均小于10%, 大气校正精度最高。     

Non-Invasive Detection of Anti-Inflammatory Bioactivity and Key Chemical Indicators of the Commercial Lanqin Oral Solution by Near Infrared Spectroscopy

Quality control methods of current traditional Chinese medicine (TCM) preparation is time-consuming and difficult to assess in terms of overall efficiency of the drug. A non-destructive rapid near-infrared spectroscopy detection system for key chemical components and biological activity of Lanqin oral solution (LOS), one of the best-selling TCM formulations, was established for comprehensive quality evaluation. Near infrared spectral scanning was carried out on 101 batches of commercial LOS under the penetrated vial state and traditional state. RAW 264.7 cells were cultured to detect the anti-inflammatory ability of LOS, and the reference concentrations of epigoitrin, geniposide, and baicalin were obtained by HPLC. The quantitative models were optimized by three kinds of variable selection methods. The correlation coefficients of prediction value of the models were greater than 0.94. The system also passed the external validation. The performance of the non-invasive models was similar to the traditional models. The established non-destructive system can be applied to the rapid quality inspection of LOS to avoid unqualified drugs from entering the market and ensure drug effectiveness. The biological activity index of LOS was introduced and predicted by NIRs for the first time, which provides a new idea about the quality control of TCM formulations.     

Novel Inhibitors of 2′-O-Methyltransferase of the SARS-CoV-2 Coronavirus

The COVID-19 pandemic is still affecting many people worldwide and causing a heavy burden to global health. To eliminate the disease, SARS-CoV-2, the virus responsible for the pandemic, can be targeted in several ways. One of them is to inhibit the 2′-O-methyltransferase (nsp16) enzyme that is crucial for effective translation of viral RNA and virus replication. For methylation of substrates, nsp16 utilizes S-adenosyl methionine (SAM). Binding of a small molecule in the protein site where SAM binds can disrupt the synthesis of viral proteins and, as a result, the replication of the virus. Here, we performed high-throughput docking into the SAM-binding site of nsp16 for almost 40 thousand structures, prepared for compounds from three libraries: Enamine Coronavirus Library, Enamine Nucleoside Mimetics Library, and Chemdiv Nucleoside Analogue Library. For the top scoring ligands, semi-empirical quantum-chemical calculations were performed, to better estimate protein–ligand binding enthalpy. Relying upon the calculated binding energies and predicted docking poses, we selected 21 compounds for experimental testing.     

三氧化钨/氧化银复合材料的水热法合成及其光催化降解性能研究

染料污染是水污染中最严重的问题之一,吸引了很多科学家的关注.人们尝试了很多方法去解决该问题,如化学氧化法、物理吸附法、光催化降解法和生物降解法等.与其他几种方法相比,光催化法有着低能耗、环保以及高效等优势.三氧化钨是常见的半导体材料,具有独特的光学性能,近年来受到了广泛的研究.本文以钨酸钠和硫脲为前驱体,通过水热法制备了三氧化钨/氧化银(WO_3/Ag_2O)复合材料,并用光催化降解亚甲基蓝来分析其光催化性能.通过X射线光电子能谱、X射线衍射、透射电子显微镜、扫描电子显微镜、紫外可见吸收光谱等表征手段对样品的形貌、晶格结构和光催化的性能进行表征.氧化银的带宽为1.2 e V,对可见光很敏感,三氧化钨和氧化银的复合使材料在可见光下的光催化活性显著增强,在可见光下对亚甲基蓝染料的光降解率可以达到98%.实验结果表明,复合材料中的三氧化钨纳米棒为六方相,其平均直径约为200 nm,平均长度约为4μm.而复合材料中的氧化银纳米颗粒为六方相,附着在氧化钨纳米棒的表面,平均晶粒尺寸为20 nm.氧化银的存在为复合材料提供了更多的反应活性位点.相较于单一组分,复合材料在可见光下的光吸收度更高,这说明三氧化钨和氧化银的复合改变了材料的能带结构.研究发现,三氧化钨和氧化银之间形成的异质结构是其优良光催化性能的来源.此外,三氧化钨和氧化银复合材料还具有良好的催化稳定性和化学稳定性.本文结果表明,可以通过给宽带隙的半导体材料复合一些带隙合适的金属氧化物以提升其光催化活性.     

气源分子束外延生长的InPBi薄膜材料中的深能级中心

利用深能级瞬态谱(DLTS)研究了气源分子束外延(GSMBE)生长的InP1-xBix材料中深能级中心的性质。在未有意掺杂的InP中测量到一个多数载流子深能级中心E1,E1的能级位置为Ec-0.38 e V,俘获截面为1.87×10~(-15)cm~2。在未有意掺杂的InP0.9751Bi0.0249中测量到一个少数载流子深能级中心H1,H1的能级位置为Ev+0.31 eV,俘获截面为2.87×10~(-17)cm~2。深中心E1应该起源于本征反位缺陷PIn,深中心H1可能来源于形成的Bi原子对或者更复杂的与Bi相关的团簇。明确这些缺陷的起源对于InPBi材料在器件应用方面具有重要的意义。     

GdxY1-xCa4O(BO3)3晶体非临界相位匹配波长的研究

根据YCa₄O(BO₃)₃(YCOB),GdCa₄O(BO₃)₃(GdCOB)的折射率拟合方程,分析了Gd_xY_1-xCOB可实现非临界相位匹配的波长范围.利用704-5型光参量放大器,测量了非临界相位匹配波长随组分x的变化关系. 关键词： xY_1-xCOB晶体')" href="#">Gd_xY_1-xCOB晶体 非临界相位匹配波长     

周期参数扰动的T混沌系统同宿轨道分析

针对一类周期参数扰动的T混沌系统, 通过变换将系统转化为具有广义Hamilton结构的周期参数扰动的慢变系统, 运用Melnikov方法对系统的同宿轨道进行了分析计算, 并给出了系统的同宿轨道参数分支条件. 同时, 通过数值实验, 对周期参数扰动控制策略及同宿轨道进行了仿真, 验证了文中理论分析的正确性. 关键词： Hamilton系统 Melnikov方法 同宿轨道 周期参数扰动     

荧光光谱法研究β-紫罗兰酮与溶菌酶的相互作用

应用溶菌酶内源荧光光谱研究了芳香族化合物β-紫罗兰酮与卵清溶菌酶蛋白之间的结合反应,测定了两者之间的结合常数kA为1.44×103L·mol-1,结合位点数n为0.85.根据Foerster非辐射能量转移理论,确定了能量给体与受体之间的结合距离为2.27nm,符合非辐射能量转移条件.通过同步荧光光谱和三维荧光光谱,进一步研究了β-紫罗兰酮对溶菌酶蛋白构象的影响,结果显示β-紫罗兰酮的加入引起溶菌酶蛋白构象的变化,溶菌酶内部色氨酸残基所处环境的疏水性降低.     

Melamine trisulfonic acid-catalyzed N-formylation of amines under solvent-free conditions

A highly convenient method for N-formylation of amines via treatment by formic acid in the presence of melamine trisulfonic acid as a catalyst has been developed. This method showed improvements over previous reports in terms of yield, reaction time and chemoselectivity.