光促进温和条件非贵金属催化下卤代烃与二氧化碳的羰基化反应及ESR谱研究

研究了卤代烃在光促进温和条件（常温常压）非贵金属[Co(acac)₂,Co(OAc)₂或CoCl₂]催化下与二氧化碳的羰基化反应；同时对反应过程中的ESR谱进行了研究. ESR谱研究表明，在光促进下二氧化碳参与的羰基化反应中有二氧化碳游离基负离子（CO^·-₂）[用DMPO（5,5-二甲基-1-吡咯啉-N-氧化物）捕获］生成.     

Scheduling elective surgery under uncertainty and downstream capacity constraints

The objective of this study is to generate an optimal surgery schedule of elective surgery patients with uncertain surgery operations, which includes uncertainty in surgery durations and the availability of downstream resources such as surgical intensive care unit (SICU) over multi-periods. The stochastic optimization is adapted and the sample average approximation (SAA) method is proposed for obtaining an optimal surgery schedule with respect to minimizing the total cost of patient costs and overtime costs. A computational experiment is presented to evaluate the performance of the proposed method.     

Maximal commutative subalgebras of matrix algebras

Maximal commutative subalgebras of the algebra of n by n matrices over a field k very rarely have dimension smaller than n. There is a (B, N)-construction which yields subalgebras of this kind. The Courter's algebra that is of this kind was shown a (B, N)-construction where B is the Schur algebra of size 4 and N = k ⁴. That is, the Courter's algebra is isomorphic to B ? (k ⁴)², the idealization of (k ⁴)². It was questioned how many isomorphism classes can be produced by varying the finitely generated faithful B-module N. In this paper, we will show that the set of all algebras B ? N ² fall into a single isomorphism class, where B is the Schur algebra of size 4 and N a finitely generated faithful B-module.     

猪肝酯酶杂化“纳米花”的制备及其对菊酯类农药的水解性能研究

采用生物矿化策略,在磷酸盐缓冲液中制备了猪肝酯酶(Porcine liver esterase,PLE)杂化"纳米花"(Ca3(PO4)2-PLE)。利用扫描电镜、元素能谱分析及红外光谱对所制备的杂化"纳米花"进行了形貌和成分分析。对杂化"纳米花"制备过程中的参数进行优化,结果表明:在10 mmol/L磷酸盐缓冲液(p H 7. 4)中,猪肝酯酶质量浓度为0. 3 g/L,钙离子浓度为500 mmol/L,制备温度为20℃时,所制备的Ca3(PO4)2-PLE具有最高酶活,其酶活为同等酶浓度下液酶酶活的169%。将制备的Ca3(PO4)2-PLE用于4种菊酯类农药的酶解性能研究,发现相同条件下,Ca3(PO4)2-PLE的酶解率均优于液酶。此外,制备的Ca3(PO4)2-PLE用于菊酯农药酶解循环2次后仍保持70%以上的活力。     

Achieving Molecular Recognition of Structural Analogues in Surface-Enhanced Raman Spectroscopy: Inducing Charge and Geometry Complementarity to Mimic Molecular Docking

Molecular recognition of complex isomeric biomolecules remains challenging in surface-enhanced Raman scattering (SERS) spectroscopy due to their small Raman cross-sections and/or poor surface affinities. To date, the use of molecular probes has achieved excellent molecular sensitivities but still suffers from poor spectral specificity. Here, we induce “charge and geometry complementarity” between probe and analyte as a key strategy to achieve high spectral specificity for effective SERS molecular recognition of structural analogues. We employ 4-mercaptopyridine (MPY) as the probe, and chondroitin sulfate (CS) disaccharides with isomeric sulfation patterns as our proof-of-concept study. Our experimental and in silico studies reveal that “charge and geometry complementarity” between MPY's binding pocket and the CS sulfation patterns drives the formation of site-specific, multidentate interactions at the respective CS isomerism sites, which “locks” each CS in its analogue-specific complex geometry, akin to molecular docking events. Leveraging the resultant spectral fingerprints, we achieve > 97 % classification accuracy for 4 CSs and 5 potential structural interferences, as well as attain multiplex CS quantification with < 3 % prediction error. These insights could enable practical SERS differentiation of biologically important isomers to meet the burgeoning demand for fast-responding applications across various fields such as biodiagnostics, food and environmental surveillance.     

膜蒸馏-结晶耦合技术及其在卤水分离纯化的应用前景

膜蒸馏-结晶耦合技术作为一种新型的分离技术有着分离效率高、环保节能和占用空间小等特点,因此有着广阔的应用 领域。综述了膜蒸馏-结晶耦合技术,及其分离原理、特点以及优势,概述了膜蒸馏-结晶在国内外的发展和应用状况,重点介绍膜蒸馏-结晶耦合技术在无机盐溶液方面的研究及应用。并对膜蒸馏-结晶耦合技术在卤水分离方面的应用前景做了展望。     

压电换能器等效模型分析与阻抗匹配设计

声光可调滤光器(Acousto-optic tunable filter,AOTF)的衍射效率不仅与功率信号源的质量、声光晶体氧化碲(TeO_2)的切型有关,而且压电超声换能器的结构以及其阻抗匹配网络也对AOTF的衍射效率有很大影响。本文对X切型铌酸锂(LiNbO_3,LN)四层镀膜压电超声换能器的等效模型进行了分析,确定了声光介质存在时换能器的阻抗特性,利用射频微波仿真软件,设计了电感-电容复合匹配网络。将换能器压合在TeO_2上,用复色光作为光源进行了声光衍射实验,经仿真与实验验证表明,该匹配电路可以有效的改善压电换能器的阻抗特性,提高换能器带宽,提高能量传输效率,AOTF衍射效率最高可达92.67%。     

对称陀螺分子NH3的高温谱线强度研究

在直接计算分子配分函数的基础上,将无转动跃迁偶极矩平方近似为一常数,计算了对称陀螺分子NH3,0300a-0000 s跃迁在高温下的线强度.在296 K,计算的分子总配分函数与HITRAN数据库的结果符合很好,只有O.19%的百分误差.计算的跃迁线强度在2000 K和3000 K的高温与HITRAN数据库的结果也符合相当好,最大百分误差分别为-0.65%和-1.77%.这就表明分子配分函数和线强度的高温计算是可靠的.在此基础上,计算被扩展到更高温度,报道了对称陀螺分子NH30300 a-0000 s跃迁在极端高温4000和5000 K的模拟光谱.计算结果对大气分子高温光谱的实验测量和理论研究均有一定的参考价值.     

Two-dimensional fluorescence difference gel electrophoresis for comparison of affinity and non-affinity based downstream processing of recombinant monoclonal antibody

Although Staphylococcus Protein A (SpA) affinity chromatography is the state of the art capture step for antibody purification, non-affinity methods are more economical. We used two-dimensional fluorescence difference gel electrophoresis (2-D DIGE) to evaluate the purification of a recombinant IgG₁ antibody from cultured cells, with two different processes: (1) SpA capture followed by cation-exchange chromatography (CEX); and (2) CEX capture, followed by anion exchanger, then hydrophobic interaction chromatography. Efficiencies were similar in sodium dodecylsulphate polyacrylamide gel electrophoresis and size-exclusion chromatography; however, 2-D DIGE revealed higher efficiency with SpA than with CEX capture. Thus, 2-D DIGE is a valuable tool for downstream process development.