基于OPD的Salen-Cu(Ⅱ)、Ni(Ⅱ)配合物的合成、表征及性能研究

合成了双OPD缩2-羟基-1-萘甲醛配体(H2L)及其过渡金属Cu,Ni的配合物。采用MS,1 H NMR,IR,UVvis和元素分析对其进行了表征,结果表明配合物均为N、O原子参与的四配位化合物。研究了配合物的荧光及热稳定性能,由发射光谱及热重分析得知所合成的配合物发生了荧光猝灭且均具有良好的热稳定性能。对配体及配合物进行了抑制大肠杆菌、金黄色葡萄球菌及欧文氏草生杆菌的生物活性测定,配体及配合物都表现出一定的生物活性,其中配合物的活性普遍优于配体,说明生物活性的强弱与金属离子有关。     

稀土铕有机配合物的研究进展及其应用

目的 介绍稀土铕有机配合物的原理、分类、应用及其最新研究进展,为高性能稀土铕配合物的研发提供一定的思路和依据。方法 通过查阅国内外学者近年来对稀土铕有机配合物的各种研究文献,对稀土铕有机配合物的主配体种类及应用进行整理总结。结果 稀土铕有机配合物的主配体有四大类,即β-二酮类、羧酸及羧酸盐类、有机高分子类与超分子大环类,该配合物主要应用于荧光材料、发光材料、磁性材料和生物等四大领域。结论 铕有机配合物的荧光性能良好,且高分子类配合物易加工成型;有机高分子类铕配合物可以结合Eu3+和高分子的优点,在提高其与聚合物材料相容性的前提下,有望成为一种新型的功能材料。     

新型对苯二胺类Schiff碱及其金属配合物的合成、表征及性质

固、液两相合成对苯二胺双缩对羟基苯甲醛(L1)和对苯二胺单缩对羟基苯甲醛(L2)两种配合物,以及CuL1、CoL1、NiL13种新型配合物。结构经UV-Vis、1 H-NMR、IR及元素分析对配体、配合物进行表征,结果表明合成物质与预期一致。     

稀土有机配合物/树形分子/蒙脱土纳米复合材料的制备及光学性能研究

选择荧光性能较强的稀土元素Eu为金属发光中心,β-二酮为配体,低代树形分子为掺杂剂,合成了高配位数的掺杂树形分子β-二酮配合物;并以蒙脱土为刚性体,采用插层法制得高荧光强度的稀土有机配合物/树形分子/蒙脱土纳米材料.分析结果表明,稀土有机配合物/树形分子/蒙脱土荧光材料较同类稀土有机配合物的荧光性能明显增强.     

香草醛类Schiff碱及其配合物的合成、表征及性质

用固、液合成法合成邻联甲苯胺双缩香草醛(L1)和邻联甲苯胺单缩香草醛(L2)Schiff碱配体。L1分别与金属离子[M=Cu(Ⅱ)、Co(Ⅱ)、Ni(Ⅱ)]配合,合成3种新型配合物ML1。结构经UV-Vis、1H NMR、IR及元素分析对配体、配合物进行表征,结果表明合成物质与预期一致。它们具有良好的热致变色性和一定的荧光性。     

N-异辛基吩噻嗪-3-乙烯基吡啶配体及其卤化亚铜配合物的合成与性质研究

设计合成了脂溶性N-异辛基吩噻嗪-3-乙烯基吡啶配体(L) 及其卤化亚铜配合物,运用红外光谱,核磁共振谱,质谱和元素分析对该配体进行了表征;系统地研究了配体及其卤化亚铜配合物的溶解性、电子吸收光谱和单光子荧光.结果表明,目标化合物具有优良的溶解性和强的紫外吸收及荧光性质,为寻找新型配合物发光材料进行了有益的探索.     

铱配合物有机电致磷光材料的研究进展

铱配合物是最重要的有机电致磷光材料之一,不同结构的铱配合物可以发出绿色、红色和蓝色等颜色的磷光,甚至颜色可调,从而实现全彩色电致发光.量子化学计算对于开发高效电致磷光材料具有重要的作用.分子设计、配体修饰等将是提高电致磷光材料发光效率的有效途径.     

含稀土配合物的甲基丙烯酸甲酯荧光性能研究

含稀土有机配合物的高分子材料综合了稀土材料和高分子材料的优异性能,在制备光学器件方面有广泛的应用前景.本文制备了含铕的噻吩甲酰三氟丙酮(TTA)和二苯甲酰甲烷(DBM)配合物的聚甲基丙烯酸甲酯(PMMA)体系,并考察了配合物含量、配体、小分子掺杂剂和PMMA分子量对体系荧光性能的影响.分析表明要想获得高效发光的稀土配合物高分子体系需要选用对称性较差,含氟取代基较多的配体,并找到合适的配体或小分子掺杂剂的含量,且尽量增大基体的分子量.     

新型超分子化合物的合成自组装及应用

综述了超分子化学的产生、发展及应用。介绍了新型超分子配体的合成、合成自组装及各自的应用,还概述了超分子金属配合物在医药学方面的应用,最后对超分子化学的发展进行了展望。     

茚满二酮希夫碱配合物的合成及其在光存储染料中的应用

通过对比有机光存储材料和无机光存储材料,介绍了有机光存储材料在光盘应用中的优势。合成了一种以茚满二酮希夫碱为配体的Ni配合物有机光存储材料,通过紫外波谱分析和热重分析测试希夫碱配体以及希夫碱配合物的光性能和热性能,并且测量了该材料涂覆光盘后的光信号参数,研究了这种茚满二酮希夫碱配合物在蓝光光盘存储中的应用前景。     

三氟甲基化合物的合成

利用三氟甲基化试剂可有效地在各种化合物中引入三氟甲基,以此增强其生理活性和特殊性能,使三氟甲基化合物在农药、医药、材料、染料等领域的应用愈加广泛。综述了新型三氟甲基化试剂的研究动向与各种三氟甲基化的方法,探讨了三氟甲基化合物合成领域的发展方向。     

Coordination Approaches and Systems – Part I: A Strategic Perspective

This is the first part of a two-part paper presenting a fundamental review and summary of research of design coordination and cooperation technologies. The theme of this review is aimed at the research conducted within the decision management aspect of design coordination. The focus is therefore on the strategies involved in making decisions and how these strategies are used to satisfy design requirements. The paper reviews research within collaborative and coordinated design, project and workflow management, and, task and organization models. The research reviewed has attempted to identify fundamental coordination mechanisms from different domains, however it is concluded that domain independent mechanisms need to be augmented with domain specific mechanisms to facilitate coordination. Part II is a review of design coordination from an operational perspective.     

Tissue molecular ion imaging by gold cluster ion bombardment

The use of gold cluster focused ion beams produced by a liquid metal ion gun in a TOF-SIMS mass spectrometer is shown to dramatically enhance secondary ion emission of phospholipids and peptides. The method has been successfully tested with cells grown onto plastic slips and with mouse brain slices, without any treatment of the samples. Very reliable time-of-flight mass spectra are acquired with a low primary ion dose of a few 10(7) ions, and high lateral resolution molecular ion images are obtained for heavy ions of great biological interest. This approach offers new opportunities in pharmacological and biological research fields by localizing compounds of interest such as drugs or metabolites in tissues.     

Unravelling novel synergies between organometallic and biological partners: a quantum mechanics/molecular mechanics study of an artificial metalloenzyme

In recent years, the design of artificial metalloenzymes obtained by the insertion of homogeneous catalysts into biological macromolecules has become a major field of research. These hybrids, and the corresponding X-ray structures of several of them, are offering opportunities to better understand the synergy between organometallic and biological subsystems. In this work, we investigate the resting state and activation process of a hybrid inspired by an oxidative haemoenzyme but presenting an unexpected reactivity and structural features. An extensive series of quantum mechanics/molecular mechanics calculations show that the resting state and the activation processes of the novel enzyme differ from naturally occurring haemoenzymes in terms of the electronic state of the metal, participation of the first coordination sphere of the metal and the dynamic process. This study presents novel insights into the sensitivity of the association between organometallic and biological partners and illustrates the molecular challenge that represents the design of efficient enzymes based on this strategy.     

Retreat from Stress: Rattling in a Planar Coordination

Thermoelectric devices convert heat flow to charge flow, providing electricity. Materials for highly efficient devices must satisfy conflicting requirements of high electrical conductivity and low thermal conductivity. Thermal conductivity in caged compounds is known to be suppressed by a large vibration of guest atoms, so‐called rattling, which effectively scatters phonons. Here, the crystal structure and phonon dynamics of tetrahedrites (Cu,Zn)₁₂(Sb,As)₄S₁₃ are studied. The results reveal that the Cu atoms in a planar coordination are rattling. In contrast to caged compounds, chemical pressure enlarges the amplitude of the rattling vibration in the tetrahedrites so that the rattling atom is squeezed out of the planar coordination. Furthermore, the rattling vibration shakes neighbors through lone pairs of the metalloids, Sb and As, which is responsible for the low thermal conductivity of tetrahedrites. These findings provide a new strategy for the development of highly efficient thermoelectric materials with planar coordination.     

Harnessing Hafnium-Based Nanomaterials for Cancer Diagnosis and Therapy

With the rapid development of nanotechnology and nanomedicine, there are great interests in employing nanomaterials to improve the efficiency of disease diagnosis and treatment. The clinical translation of hafnium oxide (HfO₂), commercially namedas NBTXR3, as a new kind of nanoradiosensitizer for radiotherapy (RT) of cancers has aroused extensive interest in researches on Hf-based nanomaterials for biomedical application. In the past 20 years, Hf-based nanomaterials have emerged as potential and important nanomedicine for computed tomography (CT)-involved bioimaging and RT-associated cancer treatment due to their excellent electronic structures and intrinsic physiochemical properties. In this review, a bibliometric analysis method is employed to summarize the progress on the synthesis technology of various Hf-based nanomaterials, including HfO₂, HfO₂-based compounds, and Hf-organic ligand coordination hybrids, such as metal-organic frameworks or nanoscaled coordination polymers. Moreover, current states in the application of Hf-based CT-involved contrasts for tissue imaging or cancer diagnosis are reviewed in detail. Importantly, the recent advances in Hf-based nanomaterials-mediated radiosensitization and synergistic RT with other current mainstream treatments are also generalized. Finally, current challenges and future perspectives of Hf-based nanomaterials with a view to maximize their great potential in the research of translational medicine are also discussed.     

Second anion coordination for wurtzite and sphalerite chalcogenide derivatives as a tool for the description of anion sub-lattice

A new approach to describe anion sub-lattice for chalcogenide compounds is proposed. The approach is developed on the base of wurtzite and sphalerite structures and includes consideration of the second coordination sphere of anion atoms. A variety of discussed examples show that the second coordination surrounding may be formed both by single anion atoms and by atom pairs or more complex configurations. Considering some chalcogenide compounds, the efficiency of such approach is demonstrated for the search of some similarities between the compounds and for optimization of corresponding quantum chemical calculations.     

A review of tungsten: from environmental obscurity to scrutiny

Since its discovery, tungsten, a transition element of Group VIb of the Periodic Table of Elements, and its compounds have been considered environmentally benign. Its presence in biological and drinking water samples in Fallon, Nevada, an acute lymphocytic leukemia cluster struck community has alarmed public health, environmental and regulatory agencies. Tungsten, a metal of extraordinary properties that make it hardly substitutable, is considered an essential commodity with a wide variety of uses stretching from household necessities to highly specialized applications. This work is undertaken in order to explore aspects of environmental behavior of tungsten and its compounds. Occurrence data in terrestrial, atmospheric, aquatic and biotic systems are presented. Various aspects of environmental chemistry, fate transport across environmental interfaces and toxicology are discussed with the objective of identifying knowledge gaps and outlining directions for future research.     

Fullerenes and Viruses

Abstract

It is well known that any, sometimes very small, changes in the chemical structure can lead to the dramatic changes in biological properties. Therefore it is necessary to divide into two different topics the studies of biological properties of fullerene and fullerene‐like compounds. In the enormous variety of data on the biological activity of fullerenes it is possible to select some with defined mechanism of action. This selection showed that in case of using the fullerene‐containing compositions the main mechanisms of drug action, namely unspecific, specific (ligand–receptor) interaction and membranotropic can be obtained. Therefore fullerenes as compounds with broad biological potential are very promising not only for the design of antiviral compounds, but also for the design of various types of drugs.     

A review of coordination studies in the context of supply chain dynamics

Supply chain management is and has been a popular research topic in recent years. Among the reported studies, coordination is an important ingredient to improve the performance of supply chains subject to the presence of system dynamics. This paper sets out to review some recent supply chain studies in the last decades that are related to coordination among supply chain members regarding supply chain dynamics. Focus is put on inventory management problems. More than a hundred research papers are reviewed and they are broadly categorised into analytical approaches and simulations approaches. They are further divided into sub-categorises. Observations of each category are summarised in this paper so that characteristics of each of which could be comprehended. In addition, the concluding section reveals some insights that could be considered for future research regarding coordination in supply chains and supply chain systems dynamics.