Enhancement of uranium(VI) biomineralization by Saccharomyces cerevisiae through addition of inorganic phosphorus

Journal of Radioanalytical and Nuclear Chemistry - Enhancement of U(VI) biomineralization by Saccharomyces cerevisiae through addition of inorganic phosphorus was studied in this work. The addition...     

Fully Chemical Recyclable Poly(γ-butyrolactone)-based Copolymers with Tunable Structures and Properties

Chinese Journal of Polymer Science - The emerging chemical recyclable polymers, such as poly(γ-butyrolactone) (PGBL) and poly((R)-3,4-trans six-membered ring-fused GBL) (P((R)-M)), provide a...     

Visible-light-induced,autopromoted nickel-catalyzed three-component arylsulfonation of 1,3-enynes and mechanistic insights

Science China Chemistry - A light-induced, nickel-catalyzed three-component arylsulfonation of 1,3-enynes in the absence of photocatalyst is reported. This methodology exhibited mild conditions,...     

The extremal irregularity of connected graphs with given number of pendant vertices

Czechoslovak Mathematical Journal - The irregularity of a graph G = (V, E) is defined as the sum of imbalances ∣du ? dv∣ over all edges uv ∈ E, where du denotes the degree...     

磷酸酯类前药的合成方法与应用

磷酸酯类前药与原药相比,不仅能够提高药物靶向性、稳定性和生物利用度,减少药物毒副作用,还能掩蔽药物不适气味、提高水溶性从而改善给药途径。含羟基药物的磷酸酯化是该类药物前药设计的重要方法之一。本文根据中心磷原子的价态和化合物结构进行分类,综述了各种P(Ⅴ)四配位分子、P(Ⅲ)三配位分子和H-亚磷酸酯类化合物作为磷酸酯化试剂在磷酸酯类前药合成方法中的研究进展,并阐述了这些磷酸酯类药物的应用,最后总结了各类磷酸酯化试剂的优势与局限,并结合连续流反应技术应用案例展望了其发展趋势。     

多孔离子液体的构筑及应用

多孔液体(Porous Liquids, PLs)是一类结合了多孔固体永久性孔隙与液态流动性优势的新材料. 自2007年, PLs的概念被首次提出以来, 其在合成策略与应用领域方面均取得了较大的突破. 然而, 传统的PLs因高黏度、高密度、高熔点与高原材料成本等缺陷极大程度制约了其在流动工业系统中的大规模应用. 因此, 迫切需要寻求理想的位阻溶剂用于制备先进的多孔液体. 离子液体(Ionic Liquids, ILs)因独特的可调节物理特性、非挥发性、高稳定性、易获得、经济性高、低再生能耗等特性, 使其成为构筑PLs中最具有应用前景的理想溶剂之一. 在过去的5年间, 基于多种ILs与先进多孔固体(如有机笼、金属有机框架、中空碳、沸石、多孔聚合物等)制备的多孔离子液体(Porous Ionic Liquids, PILs)被陆续报道. PILs独特的永久性孔隙、无溶剂挥发、再生能力强、黏度可调、低熔点、高稳定性等特性加快了其在气体吸附、分离、催化、萃取、分子分离等领域的快速发展. 本综述围绕PILs的构筑策略、特性、应用领域等阐述了其研究进展. 最后, 对PILs在制备中存在的挑战与未来的研究方向进行了归纳与展望.     

Interaction properties of double-hump solitons in the dispersion decreasing fiber

Nonlinear Dynamics - In this paper, the high-order coupled variable coefficient nonlinear Schrödinger equations is studied. The double-hump soliton solutions for the equations are obtained...     

射频等离子制备石墨烯负载Co3O4催化剂及其析氧性能研究

氢能的引入能有效提升配电网的供电可靠性,而电解水制氢是实现低碳转型的关键技术,开发高效的电解水催化剂势在必行。过渡金属氧化物储量大、催化活性高,是具有广阔应用前景的析氧反应催化剂。本文通过射频等离子体处理制备石墨烯上负载Co₃O₄析氧催化剂,XRD、Raman和XPS测试结果显示,二维结构石墨烯的引入加速表面电子迁移,增大了反应面积。等离子体处理促进了纳米粒子在石墨烯上的负载,利用等离子体刻蚀作用在催化剂表面制造出大量碳结构缺陷和氧空位结构,改善了活性位点分布,有效调控Co₃O₄电子结构,提高析氧催化活性。电化学测试表明,本文中合成的Co₃O₄@rGO在电流密度为50 mA·cm^-2时的过电位为410 mV,动力学反应速率较快,表现出优于商业IrO₂的析氧催化活性。     

Benchmarking of Density Functionals for the Description of Optical Properties of Newly Synthesized π-Conjugated TADF Blue Emitters

Computational modeling of the optical characteristics of organic molecules with potential for thermally activated delayed fluorescence (TADF) may assist markedly the development of more efficient emitting materials for organic light-emitting diodes. Recent theoretical studies in this area employ mostly methods from density functional theory (DFT). In order to obtain accurate predictions within this approach, the choice of a proper functional is crucial. In the current study, we focus on testing the performance of a set of DFT functionals for estimation of the excitation and emission energy and the excited singlet-triplet energy gap of three newly synthesized compounds with capacity for TADF. The emitters are designed specifically to enable charge transfer by π-electron conjugation, at the same time possessing high-energy excited triplet states. The functionals chosen for testing are from various groups ranging from gradient-corrected through global hybrids to range-separated ones. The results show that the monitored optical properties are especially sensitive to how the long-range part of the exchange energy is treated within the functional. The accurate functional should also be able to provide well balanced distribution of the π-electrons among the molecular fragments. Global hybrids with moderate (less than 0.4) share of exact exchange (B3LYP, PBE0) and the meta-GGA HSE06 are outlined as the best performing methods for the systems under study. They can predict all important optical parameters correctly, both qualitatively and quantitatively.     

Effect of temperature on the interactions between cellulose and lignin via molecular dynamics simulations

Cellulose - Heating is essential in various biomass pre-treatments and thermal conversion processes. It is of practical significance to study the characteristics of cellulose-lignin and...