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The crystal structure of the first ether solvate of hexaphenyldistannane [(Ph3Sn)2 • 2 THF] 六苯基二苯乙烯[(Ph3Sn)2•2 THF]第一醚溶剂合物的晶体结构
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0001
J. O. Bauer
Abstract Structural investigations of molecular crystal solvates can provide important information for the targeted crystallization of particular inclusion compounds. Here, the crystal structure of the first ether solvate of hexaphenyldistannane [(Ph3Sn)2 • 2 THF] is reported. Structural features in terms of host-guest interactions and in the context of the previously reported polymorphs and solvates of (Ph3Sn)2 are discussed.
摘要分子晶体溶剂化物的结构研究可以为特定包合物的靶向结晶提供重要信息。本文报道了六苯基二苯乙烯[(Ph3Sn)2•2 THF]的第一醚溶剂合物的晶体结构。在宿主-客体相互作用方面以及在先前报道的(Ph3Sn)2的多晶型物和溶剂化物的背景下讨论了结构特征。
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引用次数: 10
New crystal structures of alkali metal tetrakis(pentafluorophenyl)borates 碱金属四(五氟苯)硼酸盐的新晶体结构
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0011
Daniel Duvinage, Artem Schröder, E. Lork, J. Beckmann
Abstract The crystal structures of the salts [Li(1,2-F2C6H4)] [B(C6F5)4] (1) and Cs[B(C6F5)4] (2) comprise six Li···F contacts (1.965(3) − 2.312(3) Å) and twelve Cs···F contacts (3.0312(1) − 3.7397(2) Å), respectively, which are significantly shorter than the sum of van der Waals radii (3.29 and 4.90 Å).
[Li(1,2- f2c6h4)] [B(C6F5)4](1)和Cs[B(C6F5)4](2)的晶体结构分别由6个Li···F触点(1.965(3)−2.312(3)Å)和12个Cs···F触点(3.0312(1)−3.7397(2)Å)组成,明显短于van der Waals半径之和(3.29和4.90 Å)。
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引用次数: 0
Computing entire Zagreb indices of some dendrimer structures 计算一些树突结构的整个萨格勒布指数
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0027
Wei Gao, Zahid Iqbal, A. Jaleel, A. Aslam, Muhammad Ishaq, M. Aamir
Abstract Topological indices are numerical numbers associated to molecular graphs and are invariant of a graph. In QSAR/QSPR study, Zagreb indices are used to explain the different properties of chemical compounds at the molecular level mathematically. They have been studied extensively due to their ease of calculation and numerous applications in place of the existing chemical methods which needed more time and increased the costs. In this paper, we compute precise values of new versions of Zagreb indices for two classes of dendrimers.
拓扑指数是与分子图相关的数字,是图的不变量。在QSAR/QSPR研究中,Zagreb指数用于从数学上解释化合物在分子水平上的不同性质。由于它们易于计算,并且代替了需要更多时间和增加成本的现有化学方法,它们得到了广泛的研究。在本文中,我们计算了两类树枝状聚合物的新版Zagreb指数的精确值。
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引用次数: 8
An accelerated and effective synthesis of zinc borate from zinc sulfate using sonochemistry 用声化学法由硫酸锌加速有效合成硼酸锌
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0002
A. Ersan, A. Kipcak, Meral Yildirim Ozen, N. Tugrul
Abstract Recently, sonochemistry has been used for the synthesis of inorganic compounds, such as zinc borates. In this study using zinc sulphate heptahydrate (ZnSO4·7H2O) and boric acid (H3BO3) as starting materials, a zinc borate compound in the form of Zn3B6O12·3.5H2O was synthesized using an ultrasonic probe. Product’s characterization was carried out with using X-ray diffraction (XRD), Scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR) and Raman spectroscopy. Zinc borate compound’s chemical bond structure was observed with Raman and FTIR. From the XRD results it was seen that Zn3B6O12·3.5H2O can be quickly synthesized upon heating at 80°C and 85°C (55 min) or 90°C (45 min) in very high yield (>90%). The minimum particle size obtained was ~143 μm from the SEM results. Zinc borate compound was synthesized at a lower temperature in less time than other synthesized zinc metal compound in literature.
摘要近年来,声化学已被用于合成无机化合物,如硼酸锌。本研究以七水硫酸锌(ZnSO4·7H2O)和硼酸(H3BO3)为原料,用超声波探针合成了Zn3B6O12·3.5H2O形式的硼酸锌化合物。利用X射线衍射(XRD)、扫描电子显微镜(SEM)、傅立叶变换红外光谱(FT-IR)和拉曼光谱对产物进行了表征。用拉曼光谱和红外光谱观察了硼酸锌化合物的化学键结构。从XRD结果可以看出,在80°C和85°C(55分钟)或90°C(45分钟)下加热可以快速合成Zn3B6O12·3.5H2O,产率非常高(>90%)。根据SEM结果,获得的最小颗粒尺寸为~143μm。硼酸锌化合物的合成温度较低,合成时间较短。
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引用次数: 8
Eccentricity based topological indices of siloxane and POPAM dendrimers 基于偏心度的硅氧烷和POPAM树状大分子拓扑指数
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0010
M. Iqbal, M. Imran, M. A. Zaighum
Abstract A massive of early drug tests indicates that there is some strong inner connections among the bio-medical and pharmacology properties of nanostar dendrimers and their molecular structures. Topological descriptors are presented as fundamentally transforming a molecular graph into a number. There exist various categories of such descriptors particularly those descriptors that based on edge and vertex distances. Topological descriptors are exercised for designing biological, physico-chemical, toxicological, pharmacologic and other characteristics of chemical compounds. In this paper, we study infinite classes of siloxane and POPAM dendrimers and derive their Zagreb eccentricity indices, eccentric-connectivity and total-eccentricity indices.
摘要大量早期药物试验表明,纳米星形树枝状大分子的生物医学和药理学特性与其分子结构之间存在着强烈的内在联系。拓扑描述符被描述为从根本上将分子图转换为数字。存在各种类型的此类描述符,特别是那些基于边和顶点距离的描述符。拓扑描述符用于设计化合物的生物学、物理化学、毒理学、药理学和其他特征。在本文中,我们研究了无限类硅氧烷和POPAM树状大分子,并推导了它们的Zagreb偏心率指数、偏心连接性和总偏心率指数。
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引用次数: 1
On topological aspects of degree based entropy for two carbon nanosheets 两种碳纳米片基于度熵的拓扑性质
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0025
S. Manzoor, Y. Chu, M. K. Siddiqui, Sarfraz Ahmad
Abstract The entropy-based procedures from the configuration of chemical graphs and multifaceted networks, several graph properties have been utilized. For computing, the organizational evidence of organic graphs and multifaceted networks, the graph entropies have converted the information-theoretic magnitudes. The graph entropy portion has attracted the research community due to its potential application in chemistry. In this paper, our input is to reconnoiter graph entropies constructed on innovative information function, which is the quantity of different degree vertices along with the quantity of edges between innumerable degree vertices.”In this study, we explore two dissimilar curricula of carbon nanosheets that composed by C4 and C8 denoted by T1C4C8(S)[m, n] and T2C4C8(R)[m, n]. Additionally, we calculate entropies of these configurations by creating a connection of degree-based topological indices with the advantage of evidence occupation.
摘要基于熵的程序从化学图和多面网络的配置出发,利用了图的几个性质。对于计算,有机图和多面网络的组织证据,图熵已经转换了信息论的量值。图熵部分由于其在化学中的潜在应用而吸引了研究界。在本文中,我们的输入是侦察在创新信息函数上构建的图熵,创新信息函数是不同度顶点的数量以及无数度顶点之间的边的数量。”在这项研究中,我们探索了由C4和C8组成的碳纳米片的两个不同课程,分别用T1C4C8(S)[m,n]和T2C4C8。此外,我们通过创建具有证据占用优势的基于度的拓扑指数的连接来计算这些配置的熵。
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引用次数: 18
Reduction of a 1,4-diazabutadiene and 2,2’-bipyridine using magnesium(I) compounds 用镁(I)化合物还原1,4-二氮杂丁二烯和2,2 ' -联吡啶
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0021
K. Yuvaraj, Cameron Jones
Abstract β-diketiminate coordinated magnesium(I) compounds, [{(ArNacnac)Mg}2] (ArNacnac = [(ArNCMe)2CH]– (Ar = 2,6-diisopropylphenyl (Dip) or mesityl (Mes)), have been utilized as reducing agents in reactions with the redox active 1,4-diazabutadiene, (ButNCH)2 (ButDAB), and 2,2’-bipyrine (bipy). These reactions led to one-electron reductions of the unsaturated substrate, and formation of the highly colored radical complexes, [(ArNacnac) Mg(ButDAB•)] and [(MesNacnac)Mg(bipy•)(bipy)]. The X-ray crystal structures of the compounds reveal each to possess one singly reduced ButDAB or bipy ligand.
摘要β-二酮亚胺盐配位的镁(I)化合物,-{(ArNacnac)Mg}2](ArNacc=[(ArNCMe)2CH]-(Ar=2,6-二异丙基苯基(Dip)或均三甲苯(Mes)),已被用作与氧化还原活性的1,4-二氮杂二烯、(ButNCH)2(ButDAB)和2,2'-联吡啶(bipy)反应的还原剂。这些反应导致了不饱和底物的单电子还原,并形成了高度着色的自由基络合物[(ArNacnac)Mg(ButDAB•)]和[(MesNacinac)Mg(bipy•)(bipy)]。化合物的X射线晶体结构表明,每个化合物都具有一个单一还原的ButDAB或bipy配体。
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引用次数: 1
A new approach on lithium-induced neurotoxicity using rat neuronal cortical culture: Involvement of oxidative stress and lysosomal/mitochondrial toxic Cross-Talk 利用大鼠神经元皮层培养研究锂诱导的神经毒性的新方法:氧化应激和溶酶体/线粒体毒性串扰的参与
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0003
B. Yousefsani, R. Askian, J. Pourahmad
Abstract Lithium (Li) is a widely-used medication for the treatment of patients with bipolar disorder. Li causes different complications. One of the most important adverse effects of Li is neurotoxicity. Neurotoxicity is usually irreversible which may lead to very important complications. The symptoms of Li-induced neurotoxicity include tremor, delirium, seizures, coma, and death. In this study, we wanted to evaluate the exact sub-cellular mechanisms of Li-induced neurotoxicity. For this purpose, we used primary neuronal cortical culture for investigating lithium-induced neurotoxicity. We applied the postnatal rat pups for isolating the cortical neurons. After that, we evaluated neural viability, neural reactive oxygen specious (ROS), lipid peroxidation, mitochondrial membrane potential (MMP), lysosomal membrane integrity (LMI), and reduced (GSH) and oxidized (GSSG) glutathione. Our results demonstrated that the cytotoxic effect of Li has mediated through lysosomal membrane leakage associated with ROS formation and reduction of MMP. Furthermore, the incubation of isolated neurons with Li caused rapid GSH depletion (as GSSG efflux) as another marker of cellular oxidative stress. We concluded that Li causes neurotoxicity in a dose-dependent manner. Besides, Li-induced neurotoxicity is a result of the generation of ROS and LP, which leads to mitochondrial/lysosomal toxic cross-talk.
锂(Li)是一种广泛用于治疗双相情感障碍患者的药物。李引起不同的并发症。Li最重要的副作用之一是神经毒性。神经毒性通常是不可逆的,可能导致非常严重的并发症。锂诱发的神经毒性症状包括震颤、谵妄、癫痫发作、昏迷和死亡。在这项研究中,我们想要评估锂诱导的神经毒性的确切亚细胞机制。为此,我们使用原代神经元皮层培养来研究锂诱导的神经毒性。我们用出生后的大鼠幼鼠分离皮质神经元。之后,我们评估了神经活力、神经活性氧(ROS)、脂质过氧化、线粒体膜电位(MMP)、溶酶体膜完整性(LMI)和还原性(GSH)和氧化性(GSSG)谷胱甘肽。我们的研究结果表明,Li的细胞毒性作用是通过与ROS形成和MMP减少相关的溶酶体膜渗漏介导的。此外,与Li一起培养的离体神经元引起GSH快速耗竭(作为GSSG外排),这是细胞氧化应激的另一个标志。我们得出结论,Li以剂量依赖的方式引起神经毒性。此外,锂诱导的神经毒性是由于ROS和LP的产生,导致线粒体/溶酶体毒性串扰。
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引用次数: 4
A new 2D dibutyltin coordination polymer with 3,5-dinitrosalicylate and 4,4’-bipyridine ligands 3,5-二硝基水杨酸盐与4,4'-联吡啶配体的新型2D二丁基锡配位聚合物
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0024
Laijin Tian, Ruili Wang, Jiawei Zhang, Qingtao Liu
Abstract A new 2D dibutyltin coordination polymer with 3,5-dinitrosalicylate and 4,4’-bipyridine ligands, [{Bu2Sn(3,5–(NO2)2–2–OC6H2COO)}2(4,4’-bpy)]n (1), has been synthesized and characterized both spectroscopically (IR, 1H, 13C, and 119Sn NMR) and a single-crystal X-ray diffraction analysis. The coordination geometry of tin atom in 1 is a distorted octahedron. 3,5-Dinitrosalicylate as doubly charged anion ligand adopts chelating-bridging mode to coordinate to tin atoms, and 4,4’-bipyridine further bridges the tin atoms to form a 2D herringbone-like network structure containing the 34-membered hexa-nuclear macrocycles.
摘要合成了一种新的具有3,5-二硝基水杨酸盐和4,4’-联吡啶配体的二维二丁基锡配位聚合物,-{Bu2Sn(3,5-(NO2)2–2–OC6H2COO)}2(4,4’-bpy)]n(1),并通过光谱(IR、1H、13C和119Sn NMR)和单晶X射线衍射分析进行了表征。锡原子在1中的配位几何是一个畸变的八面体。3,5-二硝基水杨酸作为双电荷阴离子配体,采用螯合桥接模式与锡原子配位,4,4'-联吡啶进一步桥接锡原子,形成含有34元六核大环的2D人字形网络结构。
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引用次数: 4
Efficient photocatalytic degradation of organic dye from aqueous solutions over zinc oxide incorporated nanocellulose under visible light irradiation 可见光照射下氧化锌纳米纤维素对水溶液中有机染料的有效光催化降解
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0009
N. Jamal, A. Radhakrishnan, Raveendran Raghavan, Beena Bhaskaran
Abstract Increased growth of textile industries leads to the tremendous accumulation of dyes on water and surrounding environments. This terrific increase of dyes is the major cause of water pollution which in turn adversely affects the aquatic lives and the balance of our ecosystem. Purpose of the present study is to report the synthesis and characterization of a composite namely zinc oxide incorporated nanocellulose (ZnO/NC) for effective degradation of an anionic dye, Congo red. Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Brunaeur, Emmett and Teller (BET) surface area analysis and scanning electron microscopy (SEM) studies have helped to characterize the composite. The optical properties of the samples were studied by UV-Visible spectroscopy. Feasibility of the photocatalyst in the degradation of Congo red was tested. Experimental conditions such as time of contact, concentration of the dye solution, catalyst dosage, pH were altered to find out the optimum conditions of degradation. The optimum pH was found to be 5.5 and dosage of ZnO/NC was optimized as 0.075 g for a dye concentration of 20 ppm. Equilibrium was attained at 120 min. The studies reveal that the photocatalyst ZnO/NC is efficient for the photodegradation of Congo red. Photodegradation was due to electron hole interaction between metal oxides and nanocellulose.
摘要纺织工业的增长导致染料在水和周围环境中的大量积累。染料的急剧增加是水污染的主要原因,而水污染反过来又对水生生物和生态系统的平衡产生了不利影响。本研究的目的是报道一种复合材料的合成和表征,即掺入氧化锌的纳米纤维素(ZnO/NC),用于有效降解阴离子染料刚果红。傅里叶变换红外光谱(FTIR)、X射线衍射(XRD)、Brunaeur,Emmett和Teller(BET)表面积分析和扫描电子显微镜(SEM)研究有助于表征复合材料。用紫外可见光谱法研究了样品的光学性质。测试了光催化剂降解刚果红的可行性。改变接触时间、染料溶液浓度、催化剂用量、pH等实验条件,找出降解的最佳条件。发现最佳pH为5.5,并且对于20ppm的染料浓度,ZnO/NC的剂量被优化为0.075g。在120分钟时达到平衡。研究表明,光催化剂ZnO/NC对刚果红的光降解是有效的。光降解是由于金属氧化物和纳米纤维素之间的电子-空穴相互作用。
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引用次数: 16
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Main Group Metal Chemistry
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