催化材料对病毒吸附及灭活作用特性的研究

以核酸分子及普通病毒作为探针和模拟对象,进行了催化材料吸附 灭活副流感病毒的研究,旨在筛选出对病毒有过滤 吸附及灭活作用的高效非特异性催化材料,以应用于病毒的各种防护设施以及有效控制非典型性肺炎的传播。共评价了93种新合成的催化剂,发现两种催化材料对病毒具有杀灭作用。     

负载咖啡因-活性炭新吸附材料对钼(VI)的吸附行为的研究

以生物碱（咖啡因）为衍生化试剂，用浸渍法使其负载于活性炭（ＡＣ）上，制成一种新的金属阴离子吸附材料———负载咖啡因－活性炭（ＣＡＣ）。用ＩＣＰ－ＡＥＳ研究了该吸附材料对金属阴离子［Ｍｏ７Ｏ２４］６－的吸附性能；考察了其化学稳定性；还研究了不同浓度硫酸和氨水对待测物吸附率和解脱率的影响及共存离子的干扰影响。     

两种铜卟啉金属有机框架对小鼠乳腺癌细胞的光动力作用

以5,10,15,20-四（4-吡啶基）卟啉为原料,分别采用分层法与溶剂热法制备了两种铜卟啉金属有机框架材料（MOF1和MOF2）,其结构及形貌大小经UV-Vis, IR, XRD, TEM和SEM表征。采用1,3-二苯基异苯并呋喃（DPBF）考察材料在光照下生成单线态氧（¹O₂）的能力;在细胞水平上,采用MTT法评价了材料对小鼠乳腺癌细胞（4T1）的体外抑制活性;并采用活性氧探针（DCFH-DA）考察其在光照下产生活性氧的能力。结果表明：两种材料均具有过氧化氢催化能力,可有效改善4T1细胞的缺氧状态,且在光动力作用下MOF1对4T1细胞的毒性作用强于MOF2（P<0.001）。      

担载金属卟啉模拟细胞色素P-450的催化丙烯环氧化

制备了SiO2化学键合金属卟啉Mn（TPP）Cl，Mn（TDCPP）Cl的担载配合物催化剂，并与单氧给体次氯酸钠（NaClO）构造了细胞色素P－450单加氧酶模拟体系，并考察了该体系的反应性能及其影响因素．金属卟啉经化学修饰的SiO2担载之后，由于表面官能团与金属中心的轴向配位及刚性载体SiO2对金属卟啉在载体表面很好的位置分离作用，使得金属卟啉的抗氧化性及稳定性显著增加，表现出优良的催化丙烯环氧化反应性能．     

MMP多肽交联磺化接枝甲基丙烯酸透明质酸水凝胶的制备及性能

为解决间充质干细胞定向分化和支架材料相容生长的问题，将透明质酸（HA）依次接枝甲基丙烯酸（MAA）、磺化和与金属蛋白酶（MMP）多肽交联，制备了MMP多肽交联磺化接枝甲基丙烯酸HA的水凝胶(MSMeHA, 1),其结构经¹H NMR, FT-IR, SEM和DMA表征。并研究了1的细胞毒性和蛋白携载性能。结果表明： 1具有薄壁多孔结构；1对蛋白吸附与携载能力明显优于未磺化的MMP多肽交联接枝甲基丙烯酸HA的水凝胶(MMeHA)。1在振荡负荷下的储能模量降低约54%。     

苯胺与碳酸二甲酯反应合成苯氨基甲酸甲酯

 在系统研究PbO催化剂对苯胺与碳酸二甲酯反应合成苯氨基甲酸甲酯（MPC）的催化性能的基础上，考察了不同载体负载的PbO的催化性能，筛选出活性较高的SiO2载体．以SiO2为载体，考察了不同活性组分对MPC合成的催化性能，优选出了具有较高催化活性的In2O3／SiO2催化剂．在该催化剂的催化下，苯胺转化率可达75．98％，MPC选择性为78．24％．     

从模拟放射废液中去除Ce（Ⅳ）的吸附剂筛选和性能研究

研究了多种MOF材料对溶液中铈离子的吸附性能，经过对比得出，铜基MOF材料Cu-BTC对Ce（Ⅳ）的吸附效果最佳。采用SEM,BET,XRD,FT-IR等方法对其结构和形貌进行表征，并考察平衡时间、温度、初始浓度、pH、离子强度等参数对吸附行为的影响；对吸附前后的Cu-BTC进行XPS分析，考察其对Ce（Ⅳ）的吸附机制；另以实际放射性废水作为研究对象，探究Cu-BTC对真实放射性废液中α核素的吸附性能。结果表明：Cu-BTC对Ce（Ⅳ）离子的吸附在2 h内达到吸附平衡，吸附剂投加量一定时，平衡吸附量随溶液中铈离子初始浓度的增大而增大，平衡吸附率反之；溶液pH的增大与离子强度的减小可促进Cu-BTC对Ce（Ⅳ）的吸附；吸附等温线的研究表明Cu-BTC的吸附行为符合Langmuir等温吸附模型，以化学吸附为主，吸附过程为自发的吸热反应，低温有利反应的进行。此外，Cu-BTC对实际放射性废水中的α核素有较好的处理效果，平衡吸附比为52.51%。     

球形大孔树脂担载PEI对CO2的吸脱附行为

以球形大孔树脂（SMR）、聚乙二醇分别作聚乙烯亚胺（PEI）的载体和黏结剂,制得PEI／SMR吸附材料．考察了PEI／SMR材料对CO2的吸脱附性能,并对吸附过程进行了分析．研究结果表明：（1）当PEI担载量为40％、吸附温度为30℃时,PEI／SMR样品对C02的平衡吸附量达4．02mrnol／g,并具有良好的吸脱附循环性能;（2）当模拟烟道气中的湿度为14．5％时,由于部分H20参与了化学反应,使得PEI／SMR样品对C02的平衡吸附量提高了5．7％;（3）C02在PEI／SMR的吸附,先是CO2分子吸附在SMR材料的表面,然后被吸附的CO2分子从表面扩散进入PEI主体相进行化学反应．     

镁功能化炭材料的制备及酯交换催化性能研究

利用溶胶-凝胶法一步合成了镁功能化的介孔炭材料,并考察了其在碳酸二甲酯与碳酸二乙酯酯交换反应中的催化性能.利用碱性溶液预处理的介孔Mg-NC材料表现出了优异的催化性能和高稳定性.并通过N_2吸附-脱附、XRD、CO_2-TPD以及NH_3-TPD对材料进行了结构以及表面理化性质的表征.结果表明材料表面的弱酸弱碱中心的协同作用对催化性能的提高起到至关重要的作用.     

制备条件对Al1P1.30Ti0.30Si0.17体系催化剂性能的影响

 从制备催化剂的原料、沉淀剂种类、铝沉淀物终点的pH值、水量\r\n及原料的加入顺序等方面考察了制备条件对AlP1．30－Ti0．30Si0．1\r\n7体系的结构及催化性能的影响．结果表明，以自制新鲜氢氧化铝为铝\r\n源，以硅溶胶为硅源，以钛酸丁酯为钛源，以氨水为沉淀剂，在pH＝6\r\n．2，c（Al3＋）＝0．64mol／L（V（H2O）＝200ml）的条件下，采用\r\n通常的沉淀方法可制备出性能优良的催化剂．催化剂的酸性是影响其催\r\n化性能的主要因素，主产物选择性与酸强度有关，酸强度高的催化剂具\r\n有较低的主产物选择性；催化剂的活性与其孔径及表面酸量有关；催化\r\n剂中的B酸中心是反应可能的活性中心．     

Novel aerosol detection platform for SARS‑CoV‑2: Based on specific magnetic nanoparticles adsorption sampling and digital droplet PCR detection

The SARS?CoV?2 virus is released from an infectious source (such as a sick person) and adsorbed on aerosols, which can form pathogenic microorganism aerosols, which can affect human health through airborne transmission. Efficient sampling and accurate detection of microorganisms in aerosols are the premise and basis for studying their properties and evaluating their hazard. In this study, we built a set of sub-micron aerosol detection platform, and carried out a simulation experiment on the SARS?CoV?2 aerosol in the air by wet-wall cyclone combined with immunomagnetic nanoparticle adsorption sampling and ddPCR. The feasibility of the system in aerosol detection was verified, and the influencing factors in the detection process were experimentally tested. As a result, the sampling efficiency was 29.77%, and extraction efficiency was 98.57%. The minimum detection limit per unit volume of aerosols was 250 copies (10² copies/mL, concentration factor 2.5).     

Targeting RNA G‐Quadruplex in SARS‐CoV‐2: A Promising Therapeutic Target for COVID‐19?

The COVID‐19 pandemic caused by SARS‐CoV‐2 has become a global threat. Understanding the underlying mechanisms and developing innovative treatments are extremely urgent. G‐quadruplexes (G4s) are important noncanonical nucleic acid structures with distinct biofunctions. Four putative G4‐forming sequences (PQSs) in the SARS‐CoV‐2 genome were studied. One of them (RG‐1), which locates in the coding sequence region of SARS‐CoV‐2 nucleocapsid phosphoprotein (N), has been verified to form a stable RNA G4 structure in live cells. G4‐specific compounds, such as PDP (pyridostatin derivative), can stabilize RG‐1 G4 and significantly reduce the protein levels of SARS‐CoV‐2 N by inhibiting its translation both in vitro and in vivo. This result is the first evidence that PQSs in SARS‐CoV‐2 can form G4 structures in live cells, and that their biofunctions can be regulated by a G4‐specific stabilizer. This finding will provide new insights into developing novel antiviral drugs against COVID‐19.     

沸石分子筛材料在消除挥发性有机化合物反应中的吸附与催化性能

作为空气污染物的主要成分之一,挥发性有机化合物(VOCs)会极大地破坏生态环境并损害人体健康。在众多消除 VOCs的方法中,吸附法由于操作简单、成本低廉的优势而在工业上得以广泛应用。催化燃烧法则因去除效率高,适用范围广且无二次污染等优点被认为是 VOCs消除最有效的手段之一。
　　目前,活性炭是最常用的 VOCs吸附剂,但存在再生困难、抗湿性差、易燃等诸多问题。与活性炭等常规吸附剂相比,沸石分子筛作为 VOCs吸附剂其主要优势在于：(1)沸石分子筛的疏水性可调,通过调控分子筛骨架的硅铝比可以调节分子筛的亲疏水性,高硅铝比的沸石分子筛有着优异的疏水性能,从而可以有效降低在一定湿度条件下水对 VOCs分子的竞争吸附;(2)均一的孔径分布可以有效地进行分子识别,从而使吸附剂对VOCs的选择性吸附性大大提高;(3)沸石分子筛一般由硅铝构成,本身不可燃且水热稳定性好,因此能够与微波加热等其他手段相结合以降低吸附剂重生能耗,提高操作安全性;(4)沸石分子筛比表面积大,吸附容量高,是作为蜂窝转轮吸附技术中吸附剂的理想材料,而该技术是目前工业大规模消除VOCs的研究热点。因此,沸石分子筛由于其独特的性质,被视为一种简单高效、选择性好的VOCs吸附剂。现阶段,催化燃烧VOCs所使用的催化剂常用金属氧化物作为载体,但是金属氧化物比表面积相对较小且孔道结构不均一,因此严重影响了催化剂对VOCs的催化燃烧效率,限制了催化燃烧活性的提高。而与金属氧化物载体相比,沸石分子筛材料具有均一的孔道结构以及相对较大的比表面积等优点,而将具有较好吸附选择性和吸附容量的沸石分子筛作为载体,负载活性组分后可以实现催化剂催化燃烧性能的显著提高,从而成为VOCs催化燃烧的理想催化剂。
　　本文综述了目前沸石分子筛材料作为吸附剂和催化剂载体的负载型催化剂消除各类VOCs的研究进展。对于沸石分子筛作为VOCs吸附剂,我们小结了影响其吸附容量和吸附选择性的因素,发现分子筛的孔道大小和阳离子类型与VOCs的吸附情况密切相关。在此基础上,进一步简单介绍了分子筛蜂窝吸附转轮技术的研究现状。对于沸石分子筛作为催化剂载体,我们总结了其用于各类VOCs催化燃烧的研究情况,如烷烃类、芳烃类和醛类等。探究了催化性能的影响因素及相应的催化机理,发现分子筛的孔道结构、阳离子类型、硅铝比等都会显著影响沸石分子筛负载型催化剂的催化活性。最后,探讨了沸石分子筛应用于VOCs消除目前所存在的问题,同时展望了该领域未来的研究和发展方向。     

Thoughts on What Chemists Can Contribute to Fighting SARS‐CoV‐2 – A Short Note on Hand Sanitizers,Drug Candidates and Outreach

The SARS‐CoV‐2 outbreak causing the respiratory disease COVID‐19 has left many chemists in academia without an obvious option to contribute to fighting the pandemic. Some of our recent experiences indicate that there are ways to overcome this dilemma. A three‐pronged approach is proposed.     

Virtual screening for SARS-CoV protease based on KZ7088 pharmacophore points

Pharmacophore modeling can provide valuable insight into ligand-receptor interactions. It can also be used in 3D (dimensional) database searching for potentially finding biologically active compounds and providing new research ideas and directions for drug-discovery projects. To stimulate the structure-based drug design against SARS (severe acute respiratory syndrome), a pharmacophore search was conducted over 3.6 millions of compounds based on the atomic coordinates of the complex obtained by docking KZ7088 (a derivative of AG7088) to SARS CoV M(pro) (coronavirus main proteinase), as reportedly recently (Chou, K. C.; Wei, D. Q.; Zhong, W. Z. Biochem. Biophys. Res. Commun. 2003, 308, 148-151). It has been found that, of the 3.6 millions of compounds screened, 0.07% are with the score satisfying five of the six pharmacophore points. Moreover, each of the hit compounds has been evaluated for druggability according to 13 metrics based on physical, chemical, and structural properties. Of the 0.07% compounds thus retrieved, 17% have a perfect score of 1.0; while 23% with one druggable rule violation, 13% two violations, and 47% more than two violations. If the criterion for druggability is set at a maximum allowance of two rule violations, we obtain that only about 0.03% of the compounds screened are worthy of further tests by experiments. These findings will significantly narrow down the search scope for potential compounds, saving substantial time and money. Finally, the featured templates derived from the current study will also be very useful for guiding the design and synthesis of effective drugs for SARS therapy.     

Adsorption properties and mechanism of sepiolite to graphene oxide in aqueous solution

Graphene oxide (GO) is widely used in various fields such as improving the performance of cement-based materials and making composite materials due to its large specific surface area and abundant oxygen-containing functional groups. However, it has also caused water pollution. To remove GO in aqueous solution, sepiolite (SEP) was used to adsorb it. The effects of pH, adsorbent quality, GO concentration, temperature and adsorption time on the ability of SEP to adsorb GO were investigated. The materials were characterized by SAP and laser particle size analyzer, and the adsorption performance and mechanism of SEP for GO were further analyzed by XRD, FTIR, SEM, TEM, XPS, AFM, and Zeta potential microscopic tests. The results showed that: 1) Under the conditions of temperature 303 K, pH = 3, adsorbent mass 30 mg, and initial concentration of GO 100 mg/L, the adsorption effect was the best, and the adsorption rate reached 94.8 %. 2) The adsorption reached equilibrium at 2160 min, and the adsorption process was more in line with the pseudo-second-order adsorption kinetic equation, and the adsorption behavior was controlled by chemical effects. 3) The adsorption of SEP to GO is more consistent with the Langmuir and Temkin adsorption isotherm model, and the reaction is a spontaneous, endothermic, and entropy-increasing process. Experiments showed that SEP had a strong adsorption capacity for GO, which provides a reference for the treatment of toxic GO in aqueous solution and the realization of water ecological protection.     

Design and synthesis of cinanserin analogs as severe acute respiratory syndrome coronavirus 3CL protease inhibitors

The severe acute respiratory syndrome (SARS) coronavirus 3CL protease is an attractive target for the development of anti-SARS drugs. In this paper, cinanserin (1) analogs were synthesized and tested for the inhibitory activities against SARS-coronavirus (CoV) 3CL protease by fluorescence resonance energy transfer (FRET) assay. Four analogs show significant activities, especially compound 26 with an IC(50) of 1.06 microM.     

Assembly of alpha-helical peptide coatings on hydrophobic surfaces

The adsorption or covalent attachment of biological macromolecules onto polymer materials to improve their biocompatibility has been pursued using a variety of approaches, but key to understanding their efficacy is the verification of the structure and dynamics of the immobilized biomolecules. Here we present data on peptides designed to adsorb from aqueous solutions onto highly porous hydrophobic surfaces with specific helical secondary structures. Small linear peptides composed of alternating leucine and lysine residues were synthesized, and their adsorption onto porous polystyrene surfaces was studied using a combination of solid-state NMR techniques. Using conventional solid-state NMR experiments and newly developed double-quantum techniques, their helical structure was verified. Large-amplitude dynamics on the NMR time scale were not observed, suggesting irreversible adsorption of the peptides. Their association, adsorption, and structure were examined as a function of helix length and sequence periodicity, and it was found that, at higher solution concentrations, peptides as short as seven amino acids adsorb with defined secondary structures. Two-dimensional double-quantum experiments using (13)C-enriched peptide sequences allow high-resolution determination of secondary structure in heterogeneous environments where the peptides are a minor component of the material. These results shed light on how polymeric surfaces may be surface-modified by structured peptides and demonstrate the level of molecular structural and dynamic information solid-state NMR can provide.     

NO在氧化铝负载的Pd催化剂上吸附的TPD-MS研究

消除汽车尾气中的氮氧化物(NOx)对保护大气环境有着重要意义.为了除去NOx,已经进行了许多卓有成效的研究,例如NOx在分子筛上的直接分解和催化还原,在贵金属三效催化剂上的还原等.     

非肽类SARS冠状病毒3CL蛋白酶抑制剂的设计与活性表征

SARS冠状病毒3CL蛋白酶是SARS病毒复制过程中的主要蛋白酶, 针对其开展药物设计有望得到有效的抗SARS病毒药物. 本文基于SARS冠状病毒3CL蛋白酶的三维结构, 对现有化学试剂及临床用药数据库进行虚拟筛选, 选出可能对SARS冠状病毒3CL蛋白酶有抑制的非肽化合物进行初步活性测试, 并研究了已知的人鼻病毒3C蛋白酶抑制剂对SARS冠状病毒3CL蛋白酶的活性, 合成了两种母环的衍生物, 得到靛红和哌嗪两类SARS冠状病毒3CL蛋白酶的抑制剂, 其中一个靛红类化合物的IC₅₀为0.76 µmol•L^－1; 而抗组胺药哌嗪类化合物对SARS冠状病毒3CL蛋白酶及细胞培育的SARS病毒的抑制作用, 提示了老药可以开发出新的用途.