Volume 43, Issue 1

Recently, sonochemistry has been used for the synthesis of inorganic compounds, such as zinc borates. In this study using zinc sulphate heptahydrate (ZnSO 4 ·7H 2 O) and boric acid (H 3 BO 3 ) as starting materials, a zinc borate compound in the form of Zn 3 B 6 O 12 ·3.5H 2 O 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 Zn 3 B 6 O 12 ·3.5H 2 O 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.

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.

This study presents a preparation of SrFe 12 O 19 – SrTiO 3 nanocomposite synthesis via the green auto-combustion method. At first, SrFe 12 O 19 nanoparticles were synthesized as a core and then, SrTiO 3 nanoparticles were prepared as a shell for it to manufacture SrFe 12 O 19 –SrTiO 3 nanocomposite. A novel sol-gel auto-combustion green synthesis method has been used with lemon juice as a capping agent. The prepared SrFe 12 O 19 –SrTiO 3 nanocomposites were characterized by using several techniques to characterize their structural, morphological and magnetic properties. The crystal structures of the nanocomposite were investigated via X-ray diffraction (XRD). The morphology of SrFe 12 O 19 – SrTiO 3 nanocomposite was studied by using a scanning electron microscope (SEM). The elemental composition of the materials was analyzed by an energy-dispersive X-ray (EDX). Magnetic properties and hysteresis loop of nanopowder were characterized via vibrating sample magnetometer (VSM) in the room temperature. Fourier transform infrared spectroscopy (FTIR) spectra of the samples showed the molecular bands of nanoparticles. Also, the photocatalytic behavior of nanocomposites has been checked by the degradation of azo dyes under irradiation of ultraviolet light.

In current study, the effect of various organic substances as bulking agents (BAs) including wheat straw, pistachio hull wastes, and tree leaves at different levels (10, 25, 45% v/v) were investigated on total concentration and chemical forms of Cu, Pb, Cr, and As in sewage sludge (SS) compost prepared by windrow method. According to the results, the composting process (with/without BAs), due to losses of SS mass and volume, increased the total concentration of heavy metals (HMs) compared to the un-composted SS sample (RSS). Evaluation of HMs chemical forms in prepared compost sample without BAs application (CSS) showed that the composting process reduced the mobility factor of As (from 28% to 20%), Pb (from 11.6% to 9.3%), and Cr (from 14.5% to 9.2%) compared to the RSS. Application of three BAs considerably decreased the mobility factor of As (17.5-18.8%), Pb (4.8-7.9%), and Cr (1.4-6.8%) compared to CSS and RSS. Changes of Cu mobility in prepared compost samples showed an unclear trend, however in some treatments, due to transferred organic fraction into exchangeable and carbonate fractions, increasing of this factor was obvious. Generally, the composting appeared to reduce As, Pb, and Cr availability by stabilizing the three metals and making them more stable and less mobile. In addition, the BAs application effect on HMs behavior of SS compost samples were so different and no specific kind of BAs can be recommended as a superior BAs in SS composting process.

Sodium silicate with the formula of Na 2 SiO 3 was used for the four-component reaction of ketones, aldehydes and cyanoacetamide. The effect of SnFe 2 O 4 nano-particles on the catalytic potential of Na 2 SiO 3 was investigated. The desired products synthesized by this method are 5-amino-7-aryl-2,4-dioxo-2,3,4,4a,7,7a,8,9,10,11-decahydro-1H-benzo[i]quinazoline-6-carbonitriles, 5-amino-2,4-dioxo-7-aryl-1,2,3,4,4a,7,7a,8,10,11-decahydropyrano[3,4-i] quinazoline-6-carbonitrile, 5-amino-9-methyl-2,4-dioxo-7-aryl-2,3,4,4a,7,7a,8,9,10,11-decahydro-1H-pyrido[3,4-i] quinazoline-6-carbonitrile and 5-amino-2,4-dioxo-7-aryl-1,2,3,4,4a,7,7a,8,10,11-decahydrothiopyrano[3,4-i]quinazo-line-6-carbonitrile derivatives. This method has advantages of high yields, simple procedure and easy work-up.

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.

Fe 3 O 4 @SiO 2 -L-proline nanoparticles have been used as an effective catalyst for the preparation of pyrimidines by three-component reactions of 1,3-dimethylbarbituric acid, aromatic aldehydes and 4-methyl aniline or 4-methoxy aniline under reflux condition in ethanol. Fe 3 O 4 @SiO 2 -L-proline nanoparticles have been characterized by scanning electronic microscopy (SEM), powder X-ray diffraction (XRD), vibrating sample magnetometer (VSM), thermal gravimetric analysis (TGA), energy dispersive X-ray (EDS), dynamic light scattering (DLS) and FT-IR spectroscopy. This method provides several advantages including, the reusability of the catalyst, low catalyst loading, atom economy, short reaction times and high yields of products.

Silacyclopentadienes (siloles) are currently of great interest because of their intriguing aggregation-induced emission (AIE) characteristics. In this work, abnormally AIE phenomena were observed from silyl- and hydrogen-substituted siloles respectively. We propose silyl-substituent and hydrogen atom effects to explain this via both experiments and theoretical calculations. It was discovered that trimethylsilyl substituents destroyed the p-interactions with the silole core and resulted in the non-fluorescence. Additionally, 1-chloro-1-H-2,3,4,5-tetraphenylsilole featuring strong fluorescences in both solid and solution states with high fluorescence quantum yields represents a new potential photoelectric material. This work not only reports the silole with strong fluorescences in both solid and solution states for the first time but also contributs to enrich the AIE research of siloles. Graphical Abstract

Structural data of cis-Pt(η 2 -P 2 L)(XL) 2 (X = Ge or Te), cis-Pt(η 2 -P 2 L)(η 2 -X 2 L) (X = As, Ge or Te) and trans-Pt(η 2 -P,TeL) 2 were classified and analyzed. The chelating ligands create varieties of metallocyclic rings, which open in the sequence: 83.1° (GeGeGe) < 83.8° (AsC 2 As) < 86.2° (PC 2 P) < 88.5° (PC 2 Te) < 89.7° (PC 3 P) ~ 89.7° (GeGe 2 Ge). The structural data are compared and discussed with the complexes of an inner coordination spheres Pt(η 2 -P 2 L)(XL) 2 (X = O, N, CN, B, Cl, S, Se, Si, Br or I), Pt(η 2 -P 2 L)(η 2 - X 2 L) (X = O, N, S, Se or Si), and Pt(η 2 -P,SiL) 2 .

The synthesis and characterization of five new chiral dialkyltin complexes of N -salicylidene- L -valine, [2-O-3-R-5-R'C 6 H 2 C(H)=NCH(CH(CH 3 ) 2 )C(O)O]SnR'' 2 (R, R', R'' = H, H, Me ( 1 ); H, Br, Me ( 2 ); OMe, H, Et ( 3 ); Br, Br, n -Bu ( 4 ); CH(OMe) 2 , Me, n -Bu ( 5 )), have been reported. Compounds 1-5 are all ( S )-enantiomers, and their crystal structures have been studied. Compound 1 displays a trimeric macrocyclic structure in which the coordination environment of each tin atom is a distorted [SnC 2 NO 3 ] octahedron. In complexes 2-5 , the tin atom has an intermediate geometry between trigonal bipyramidal and square pyramidal, and 3 is closer to a square pyramid. In crystals, a zigzag supramolecular chain is formed by the intermolecular C-H…O, O-H…O or Sn…O interactions.

Ultrasonic irradiation has been adopted in order to achieve an efficient synthesis of some novel α- aminophosphonates by Pudovik reaction. Major benefits of this method are as follows: eco-friendly, free of catalyst, high yielding, uncomplicated work-up procedure, short reaction time, and solvent free condition. Spectral characterisation and elemental analysis of the synthesized samples was carried out. In vitro antioxidant activity of the title compounds was screened by DPPH˙, O 2- ˙ and NO˙ scavenging methods. Good activity was shown by most of the compounds as compared with the standards.

The purpose of this research was to determine mitochondrial and lysosomal damage and oxidative stress status in blood lymphocytes of lead-zinc miners. This research was performed in 10 mine workers who have been in contact with lead and zinc in comparison to a control group containing 10 healthy volunteers. Lymphocytes were isolated from peripheral blood using the Ficoll standard method and then mitochondrial and lysosomal damage and oxidative stress were evaluated. The level of reactive oxygen species (ROS), collapse in the mitochondrial membrane potential (MMP) collapse, and glutathione disulfide (GSSG) content, and lysosomal damage in miners were higher than the control group. Also, viability and glutathione (GSH) content were decreased. The lymphocytes of workers of a lead-zinc mine are more susceptible to oxidative stress, mitochondrial and lysosomal damage. The proper use of safety equipment can reduce the risk of toxic agents and their subsequent hazards for mine workers.

A topological index is actually designed by transforming a chemical structure into a number. Topological index is a graph invariant which characterizes the topology of the graph and remains invariant under graph automorphism. Eccentricity based topological indices are of great importance and play a vital role in chemical graph theory. In this article, we consider a graph (non-zero component graph) associated to a finite dimensional vector space over a finite filed in the context of the following eleven eccentricity based topological indices: total eccentricity index; average eccentricity index; eccentric connectivity index; eccentric distance sum index; adjacent distance sum index; connective eccentricity index; geometric arithmetic index; atom bond connectivity index; and three versions of Zagreb indices. Relationship of the investigated indices and their dependency with respect to the involved parameters are also visualized by evaluating them numerically and by plotting their results.

A palladium complex of a dendrimer type ligand of aminoethylacrylamide immobilized onto the mesoporous channels of MCM-41 with magnetic core was prepared and characterized using various techniques such as XRD, TEM, BET, FT-IR, TGA, and VSM. The prepared nanostructured material was found as a magnetically recoverable catalyst for Heck reaction of aryl halides and vinylic C–H. The catalyst is easily recoverable with an external magnet and is reusable with different leaching amounts depending to loading of Pd. A hot filtration test was also performed and gave evidence that Palladium in heterogeneous samples can dissolve and then redeposit on the surface of the support material. Graphical 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 [(Ph 3 Sn) 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 (Ph 3 Sn) 2 are discussed.

The crystal structures of the salts [Li(1,2-F 2 C 6 H 4 )] [B(C 6 F 5 ) 4 ] ( 1 ) and Cs[B(C 6 F 5 ) 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).

Dissolution of [( μ -Me 2 C O ) 3 (NaTp * ) 2 ] ( 1 ) (Tp* = hydrido-tris(3,5-dimethyl-1-pyrazolyl)borate) in DMSO at room temperature leads to the growth of colourless crystals characterized as the new salt [Na 2 Tp * ( μ -Me 2 S O ) 3 (Me 2 S O ) 3 ] [NaTp * 2 ] ( 2 ). 2 crystallized in the trigonal space group R3 with Z = 3 , a = 14.1227(2) Å, b = 14.1227(10) Å, c = 33.9685(2) Å, and V = 5867.35(17) Å 3 . Interestingly, anion and cation of 2 both contain the Tp* ligand. Moreover, the cationic moiety highlights an unusual sodium atom hexacoordinated by six DMSO molecules acting as O -bonded ligands. Three of which exhibit a bridging coordination mode and three are in terminal position. To the best of our knowledge, the framework of [Na 2 Tp * ( μ -Me 2 S O ) 3 (Me 2 S O ) 3 ] is unprecedented.

β -diketiminate coordinated magnesium(I) compounds, [{( Ar Nacnac)Mg} 2 ] ( Ar Nacnac = [(ArNCMe) 2 CH] – (Ar = 2,6-diisopropylphenyl (Dip) or mesityl (Mes)), have been utilized as reducing agents in reactions with the redox active 1,4-diazabutadiene, (Bu t NCH) 2 ( Bu t DAB), and 2,2’-bipyrine (bipy). These reactions led to one-electron reductions of the unsaturated substrate, and formation of the highly colored radical complexes, [( Ar Nacnac) Mg( Bu t DAB•)] and [( Mes Nacnac)Mg(bipy•)(bipy)]. The X-ray crystal structures of the compounds reveal each to possess one singly reduced Bu t DAB or bipy ligand.

The reaction of (CO) 5 MnBr with phenoxatellurine (PT) provided the octahedral complex fac -(CO) 3 (PT) 2 MnBr in which the two PT ligands are situated in cis -position.

A new 2D dibutyltin coordination polymer with 3,5-dinitrosalicylate and 4,4’-bipyridine ligands, [{Bu 2 Sn(3,5–(NO 2 ) 2 –2–OC 6 H 2 COO)} 2 (4,4’-bpy)] n ( 1 ), has been synthesized and characterized both spectroscopically (IR, 1 H, 13 C, and 119 Sn 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.

In this review are analyzed and classified crystallographic and structural parameters of P(0)P 3 , Pt(0) P 4 and Pt(II)P 4 derivatives – distortion isomers. Some of the isomers are differing not only by degree of distortion but also by crystal class. There are three types of organo-phosphines which build up the respective geometry about the platinum atoms. In Pt(0)P 3 a distorted trigonal planar geometry is build up by three monodentate PPh 3 ligands. In Pt(0)P 4 a tetrahedral geometry with various degree of distortion is build up by a pair of homo-bidentate ligands. In Pt(II)P 4 isomers a square-planar geometries with various degree of distortion are build up by bidentate-P,P’donor ligands, (except one example of isomers, where a tetradentate is involved). The bidentate-P,P’-donor ligands form: four-(PNP,PCP), five-(PC 2 P) and six-(PC 3 P) metallocyclic rings. The tetradentate forms five-(PC 2 P). There are some cooperative effects between Pt–P bond distances and the metallocyclic rings, and at the same time a distortion of the respective geometry increases.

The quantitative structures activity relationships (QSAR) and quantitative structures property relationships (QSPR) between the chemical compounds are studied with the help of topological indices (TI’s) which are the fixed real numbers directly linked with the molecular graphs. Gutman and Trinajstic (1972) defined the first degree based TI to measure the total π-electrone energy of a molecular graph. Recently, Ali and Trinajstic (2018) restudied the connection based TI’s such as first Zagreb connection index, second Zagreb connection index and modified first Zagreb connection index to find entropy and accentric factor of the octane isomers. In this paper, we study the modified second Zagreb connection index and modified third Zagreb connection index on the T-sum (molecular) graphs obtained by the operations of subdivision and product on two graphs. At the end, as the applications of the obtained results for the modified Zagreb connection indices of the T-sum graphs of the particular classes of alkanes are also included. Mainly, a comparision among the Zagreb indices, Zagreb connection indices and modified Zagreb connection indices of the T-sum graphs of the particular classes of alkanes is performed with the help of numerical tables, 3D plots and line graphs using the statistical tools.

Metal-organic frameworks (MOFs) are porous materials formed by strong bonds between metal ions and organic ligands to represent very high surface area, large pore volume, excellent chemical stability and unique morphology. Work on synthesis, structures and characteristics of many MOFs shows the importance of these frameworks with versatile applications, such as energy storage devices of excellent electrode materials, gas storage, heterogeneous catalysis, environmental hazard, assessment of chemicals and sensing of different gases. A topological property or index is a numerical invariant that predicts the physicochemical properties of the chemical compounds of the underlying molecular graph or framework. Wiener (1947) created the practice of the topological indices (TI’s) in organic molecules with the reference of boiling point of paraffin. In this paper, we study the two different metal-organic frameworks with respect to the number of increasing layers with metal and organic ligands as well. We also compute the generalized Zagreb index and generalized Zagreb connection index of these frameworks. Moreover, the various indices and connection indices are obtained by using the aforesaid generalized versions. At the end, a comparison is also included between the indices and connection indices with the help of numerical values and their 3D plots.

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.

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 C 4 and C 8 denoted by T 1 C 4 C 8 (S)[m, n] and T 2 C 4 C 8 (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.

Chemical graph theory is a branch of graph theory in which a chemical compound is presented with a simple graph called a molecular graph. There are atomic bonds in the chemistry of the chemical atomic graph and edges. The graph is connected when there is at least one connection between its vertices. The number that describes the topology of the graph is called the topological index. Cheminformatics is a new subject which is a combination of chemistry, mathematics and information science. It studies quantitative structure-activity (QSAR) and structure-property (QSPR) relationships that are used to predict the biological activities and properties of chemical compounds. We evaluated the second multiplicative Zagreb index, first and second universal Zagreb indices, first and second hyper Zagreb indices, sum and product connectivity indices for the planar octahedron network, triangular prism network, hex planar octahedron network, and give these indices closed analytical formulas.

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.