Search

Doubly aromatic B82−, a borozene analog of benzene (C6H6) due to their similar π bonding, can be considered an ideal base for multi-layered molecular rotors. Here, we theoretically constructed the copper borozene complex Cu3B8− to investigate its stability and structural fluxionality. The lowest energy isomers consist of two-layered configurations: a B8 molecular wheel and a triangular Cu3 motif that either stands upright or lies flat above the B8 wheel. Both configurations exhibit structural fluxionality, as indicated by the free rotation of Cu3 with respect to the B8 molecular wheel, confirmed by Born–Oppenheimer molecular dynamics simulations even at low temperatures. This fluxional behavior is associated with an ultra-soft vibrational mode of Cu3 (less than 10.0 cm−1) and a negligible rotational barrier of 0.01 kcal/mol. Notably, high simulated temperatures cause irregular interconversion between the standing and lying orientations of Cu3 without regularity. Chemical bonding analysis confirmed that charge transfer from Cu3 to the B8 wheel renders Cu3B8− a typical copper borozene complex, [Cu3+][B82−], where B82− has six delocalized π and σ electrons. This electron delocalization contributes to a dilute and continuous electron cloud that underpins the dynamic behavior of the Cu3 trimer. [ABSTRACT FROM AUTHOR]

Only copper-related deep-level centers are produced by room-temperature MeV-electron irradiation in silicon doped with a high concentration of mobile interstitial copper atoms. In oxygen-lean FZ-Si, the well-known Cu PL centers of four copper atoms show up in the DLTS, Laplace-DLTS, and photoluminescence measurements. In oxygen-rich Cz-Si, two new centers appear due to the irradiation at the expense of the Cu PL defect. Reaction kinetics analysis correlates the new defects with oxygen, copper, and the irradiation-induced vacancy. The new defects are annealed at temperatures of 150–250 ° C and, after passing through two more new configurations, are transformed into Cu PL . The strong similarities to Cu PL suggest that all four new defects are Cu PL -like complexes of four copper atoms perturbed by a nearby oxygen. [ABSTRACT FROM AUTHOR]

The dynamics of lysozyme is probed by attaching –SCN to all alanine residues. The one-dimensional infrared spectra exhibit frequency shifts in the position of the maximum absorption of 4 cm−1, which is consistent with experiments in different solvents and indicates moderately strong interactions of the vibrational probe with its environment. Isotopic substitution 12C → 13C leads to a redshift by −47 cm−1, which agrees quantitatively with experiments for CN-substituted copper complexes in solution. The low-frequency, far-infrared part of the protein spectra contains label-specific information in the difference spectra when compared with the wild type protein. Depending on the position of the labels, local structural changes are observed. For example, introducing the –SCN label at Ala129 leads to breaking of the α-helical structure with concomitant change in the far-infrared spectrum. Finally, changes in the local hydration of SCN-labeled alanine residues as a function of time can be related to the reorientation of the label. It is concluded that –SCN is potentially useful for probing protein dynamics, both in the high-frequency part (CN-stretch) and in the far-infrared part of the spectrum. [ABSTRACT FROM AUTHOR]

This research embarked on the study of a new binaphthyl phosphate scaffold of copper. There are two independent neutral complexes in the asymmetric unit: Cu1/Cu2 (I) and Cu3/Cu4 (II) from a similar structure to paddle-wheel-like, with one arm formed by an intra-hydrogen bond between the water molecule bonded to the copper and the phosphine oxide (P＝O) moieties. Moreover, in the first complex two water and one ketone molecule complete the coordination sphere of the two-copper metals, instead, in the second one, one water and two ketone molecules. The experimental value obtained for the effective paramagnetic moment indicates that there is no appreciable interaction between the copper(II) cations and that they behave as paramagnetic ions over the entire temperature range explored (5–350 K). [ABSTRACT FROM AUTHOR]

In this study, a novel terpolymer was successfully obtained via the polycondensation polymerization of p-phenylenediamine and 2-aminothiazole with formaldehyde, employing dimethylformamide as a catalyst. The molar ratio of 1:1:2 for the reacting monomers yielded the newly devised p-phenylenediamine-2-aminothiazole-formaldehyde (P2ATF) terpolymer. Subsequently, the terpolymer was utilized as a ligand to form a copper complex by combining it with Cu2+ ions. To check the structure of both the terpolymer and its copper complex, a comprehensive array of techniques like Fourier-transform infrared spectroscopy, ultraviolet-visible spectroscopy, nuclear magnetic resonance, and elemental analysis were employed. Gel permeation chromatography was employed to determine the average terpolymer molecular weight. The surface characteristics of the terpolymer and its metal complex were investigated using scanning electron microscopy, providing insights into their morphology. Furthermore, the thermal properties of the terpolymer and its metal complex were examined using thermogravimetric analysis, allowing for an assessment of their thermal breakdown behavior. They also were subjected to biological evaluations against a diverse range of microorganisms, encompassing Escherichia coli, Staphylococcus aureus, Candida albicans, and Aspergillus niger. The findings from these assessments provide valuable insights into the potential biological activities of both the ligand and its complex, enhancing our understanding of their potential applications. [ABSTRACT FROM AUTHOR]

A new unsymmetrical dinucleating phosphino pyridyl 1,8-naphthyridine ligand PNNN is reported. Reaction with CuCl gave the dicopper complex [Cu2(μ-Cl)2(PNNN)] (1). In contrast, complexation of [RuCl2(cymene)]2 yielded a monometallic species [RuCl(cymene)(PNNN)]Cl ([2]Cl) in which the Ru is bound to the κ2-N,N, rather than κ2-P,N, binding pocket. The selective formation of the monoruthenium complex [2]Cl enabled synthesis of heterobimetallic complexes [RuCuCl3(cymene)(PNNN)] (3) and [RuCuCl2(cymene)(PNNN)]2[PF6]2 ([4]2[PF6]2), which both exhibit κ1-P coordination of Cu. Complexes 1 and [4]2[PF6]2 exhibit reversible dearomatisation–aromatisation behaviour at the metal–ligand cooperative methylene site upon sequential treatment with base (KOtBu) and acid (HCl). Notably, deprotonation of [4]2[PF6]2 induces a shift in the coordination mode of Cu to κ2-P,N. [ABSTRACT FROM AUTHOR]

A procedure is developed for determining acetone acylhydrazones based on the formation of a colored complex with copper(II) ions of the composition Cu : reagent = 1 : 2 in ammonia solutions, its subsequent extraction with chloroform, and measurements of the absorbance of the extracts at 553 nm (ε = 128 L/(mol cm)); the analytical range is 80.0–590.0 mg/L; the relative error is <2.80%. Using acetone heptanoylhydrazone as an example, it was shown that the reagent in the complex compound is quantitatively extracted in the pH range 7−10 with a single extraction for 3 min; for its complete extraction, a twofold excess of copper(II) is sufficient. The spectra of the homologue complexes of the studied series of acetone acylhydrazones are similar. The high hydrolytic stability of the reagents in a narrow pH range of 9‒10 is established by the spectrophotometric method. The procedure is tested on solutions obtained in the study of the adsorption of reagents on chalcopyrite. The precision of the analysis results is verified by the addition method. [ABSTRACT FROM AUTHOR]

The formation of complexes with the chromophore zincon within the nanopores of aminated mesoporous silica was employed to develop a simple colorimetric method for the detection of copper (II) in human serum. In this method, the sedimentation of the aminated mesoporous silica encapsulating zincon allowed for the detection of a distinct color change, resulting in the detection of copper in the 0–6 µM range. Although zincon forms complexes with both copper (II) and zinc (II) in bulk solution, this complexation within the nanopores enabled the selective detection of copper (II). When this method was applied to the measurement of copper (II) in human serum, the measured values were comparable to those obtained by the conventional method using basocuproindisulfonic acid. [ABSTRACT FROM AUTHOR]

ABSTRACT This article explains the synthesis of three Schiff base Cu(II) complexes derived from 3‐hydroxybenzaldehyde and ethylenediamine using three distinct copper anionic salts, and it explores the effects of those salts on the properties of the complexes. Elemental analysis, electronic spectra, FT‐IR, ESR, molar conductance, magnetic measurement, thermogravimetric analysis and PXRD were used to characterize the compounds. The anionic salt has been demonstrated to exhibit distinctive characteristics on Gram‐positive and Gram‐negative bacteria in terms of structure, DNA binding, cell viability, DNA breakage and activity. Furthermore, this ligand L1 and its derivatives indicated positive antifungal efficacy against Aspergillus niger and Trichophyton tonsurans. The study elucidates the manner in which distinct anion salts impacted the properties of complexes and their antifungal, anticancer and antibacterial outcomes. [ABSTRACT FROM AUTHOR]

The study aims to predict and compare the structural, electronic, conductivity, and biological properties of a series of 3d transition element complexes with those of the previously studied isostructural copper complex [Cu(hfac)2(TTF)2][PF6]2 (TTF: tetrathiafulvalene, hfac: hexafluoroacetylacetonate). Because transition metals hold open electronic shells, all possible spin states for all divalent compounds have to be considered in order to determine the most stable configurations. These configurations are those corresponding to the highest spin state (5 for Mn, 4 for Fe, 3 for Co, 2 for Ni, 1 for Cu, and 0 for Zn). However, the configurations with the smallest gap are Mn(3) and Co(1), suggesting that these are the most conductive complexes. A significant metal–ligand charge transfer is observed for both Mn and Co complexes. Antifungal (CYP121 (PDB: 2IJ7) and CYP51 (PDB: 1EA1)) and antibacterial (Escherichia coli (PDB: 1KZN)) properties of the compounds studied were evaluated by molecular docking; the results obtained reveal that the following complexes show significant activity: Zn(hfac)2(TTF)2] [PF6]2 (−8.9 kcal/mol), Ni(hfac)2(TTF)2] [PF6]2 (−7.8 kcal/mol), and Cu(hfac)2(TTF)2] [PF6]2 (−8.2 kcal/mol). [ABSTRACT FROM AUTHOR]

With the increasing awareness of the hazards associated with ammonia (NH3) contamination and the potential application of NH3 detection in physical health monitoring, the exploration of high‐performance NH3 sensors has attracted significant attention in recent years. In this paper, we prepared copper iodide (CuI) nanomaterials combined with CuI‐isopropanolamine (C3H9NO) complexes by dissolving CuI in C3H9NO and subsequent annealing. The resulting product demonstrated exceptional sensing performance to 0.15 (mole fraction) NH3, exhibiting a maximum response of 7.5×105 with a response time of 5 s. The achieved detection limit was 10 ppm. Our findings provide a valuable reference for further research on NH3 sensors utilizing complexes formed by copper compounds and organic amines. [ABSTRACT FROM AUTHOR]

Erwinia amylovora, the causative agent of fire blight, causes significant economic losses for farmers worldwide by inflicting severe damage to the production and quality of plants in the Rosaceae family. Historically, fire blight control has primarily relied on the application of copper compounds and antibiotics, such as streptomycin. However, the emergence of antibiotic-resistant strains and growing environmental concerns have highlighted the need for alternative control methods. Recently, there has been a growing interest in adopting bacteriophages (phages) as a biological control strategy. Phages have demonstrated efficacy against the bacterial plant pathogen E. amylovora, including strains that have developed antibiotic resistance. The advantages of phage therapy includes its minimal impact on microbial community equilibrium, the lack of a detrimental impact on plants and beneficial microorganisms, and its capacity to eradicate drug-resistant bacteria. This review addresses recent advances in the isolation and characterization of E. amylovora phages, including their morphology, host range, lysis exertion, genomic characterization, and lysis mechanisms. Furthermore, this review evaluates the environmental tolerance of E. amylovora phages. Despite their potential, E. amylovora phages face certain challenges in practical applications, including stability issues and the risk of lysogenic conversion. This comprehensive review examines the latest developments in the application of phages for controlling fire blight and highlights the potential of E. amylovora phages in plant protection strategies. [ABSTRACT FROM AUTHOR]

Copyright of Turkish Online Journal of Design, Art & Communication is the property of Turkish Online Journal of Design, Art & Communication and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

A new implementation of the internally contracted multireference coupled-cluster with singles and doubles (icMRCCSD) method is presented. The new code employs an efficient tensor contraction kernel and can also avoid full four-external integral transformations, which significantly extends the scope of the applicability of icMRCCSD. The new implementation is currently restricted to the simple case of two active electrons in two orbitals and also supports the computation of spin-adapted doublet and triplet coupled-cluster wavefunctions. This contribution describes the basic approach for the automated derivation of working equations and benchmarks the current code against efficient implementations of standard methods, such as single-reference coupled-cluster singles and doubles (CCSD) and internally contracted multireference configuration interaction (icMRCI). Run times for linearized variants of icMRCCSD are only twice as long as comparable CCSD runs and similar to those of the icMRCI implementation, while non-linear terms of more complete variants of icMRCCSD lead to an order of magnitude longer computation times. Nevertheless, the new code allows for computations at larger scales than it was possible previously, with less demands on memory and disk-space resources. This is exemplified by numerical structure optimizations and harmonic force field determinations of NC2H5 isomers and the singlet and triplet states of m-benzyne. In addition, the exchange coupling of a dinuclear copper complex is determined. This work also defines a new commutator approximation for icMRCCSD, which includes all terms that are also present in the single-reference CCSD method, thus yielding a consistent pair of single-reference and multireference coupled-cluster methods. [ABSTRACT FROM AUTHOR]

Fatal polysulfide shuttling, sluggish sulfur redox kinetics and detrimental lithium dendrites have curtailed the real discharge capacity, working lifespan and safety of lithium−sulfur (Li−S) batteries. Organic small molecule promotors as one type of emerging active catalysts can fulfil the management of the electrochemical species evolution behaviors. Herein, an integrated engineering is organized by synthesizing dual chlorine‐bridge enabled binuclear copper complex (Cu2(phen)2Cl2) and its derivative generated in electrolyte (Cu‐ETL) as the heterogeneous and homogeneous catalyst, respectively. The well‐designed Cu‐ETL with a optimized concentration of 0.25 wt% as a homogeneous enabler offers highly utilized Cu centers and the sufficient interface contact for guiding the Li2S nucleation/decomposition reactions. The Cu2(phen)2Cl2 loaded on carbon spheres as an interlayer (Cu‐INT) can break through the catalytic limitation resulting from the saturated concentration of Cu‐ETL and thus offers an extended manipulation effect. Benefiting from the synergistic effect, the Li−S battery shows stable cycling at 3 C upon 500 cycles with a capacity degradation rate as low as 0.029 % per cycle. Of specific note, an actual cell energy density of 372.1 Wh kg−1 is harvested by a 1.2 Ah‐level soft‐packaged pouch cell, implying a chance for requiring the demand of high‐energy batteries. [ABSTRACT FROM AUTHOR]

Copper complexes supported by benzimidazole‐based tetradentate neutral ligands featuring thio‐ and selenoether donors, resemble the coordination environment of the active site in copper dependent monooxygenases Dopamine‐β‐monooxygenase (DβM) and peptidylglycine‐α‐hydroxylating monooxygenase (PHM). The cuprous complexes react with O2 at low temperature generating a reactive copper‐oxygen species assigned to a side‐on cupric–superoxo complex, which activates the C─H bond of dihydroanthracene. Based on structural, 1H and 77Se NMR, and EPR spectroscopic characterization, together with DFT computations, the selenoether moiety likely acts as a hemilabile ligand in these scaffolds, which results in an electrophilic cupric–superoxide intermediate poised for H‐atom transfer, as has been proposed for related bis(benzimidazole)‐thioether analogues and selenoether‐modified enzymatic systems. [ABSTRACT FROM AUTHOR]

Copper(III) iodide and bromide complexes representing a unique combination of highly‐coordinated metal and soft polarizable anions were synthesized and fully characterized, including X‐ray crystallography. Ligand substitution in well‐defined highly‐coordinated copper complex PyCu(CF3)3 with pincer ligands was achieved to give formally octahedral copper(III) complexes. [ABSTRACT FROM AUTHOR]

The preparation of cationic bis(hydrosilane)–coinage‐metal complexes by chloride abstraction from the neutral metal chloride precursors with Na[BArF4] is described. Unlike previously reported hydrosilane‐stabilized copper and silver complexes, the presented complexes are cationic and feature two bidentate (ortho‐silylphenyl)phosphine ligands. These complexes were fully characterized by NMR spectroscopy and X‐ray diffraction analysis, revealing that both Si−H bonds are activated by the Lewis acidic cationic metal center. The new complexes were found to be effective in catalytic carbonyl hydrosilylation, leading to the corresponding silyl ethers under mild conditions without the addition of an external base. Combined mechanistic control experiments and quantum chemical calculations support an ionic outer‐sphere mechanism, in which a neutral metal alkoxide species instead of a metal hydride is the key intermediate that interacts with the silylcarboxonium ion to generate the silyl ether. [ABSTRACT FROM AUTHOR]

Triboluminescence is a phenomenon in which light is generated through mechanical stress; it has emerging applications in stress‐sensing devices. Although the prevailing mechanistic model indicates that light emits from charge separation and recombination in fracture planes arising from polar structures, its application in designing triboluminescent materials remains limited owing to numerous exceptions. This study provides insights into the essential requirements for triboluminescence by investigating the structural and electrostatic properties of fractured crystals of copper thiocyanate complexes. The examined fracture plane indicated that charge pairs (which are essential for light emission) form when intermolecular interactions are disrupted during fracturing. On the basis of the nature of these charges, we successfully suppressed triboluminescence by inhibiting the formation of intermolecular interactions disrupted in the examined complexes. Furthermore, we induced its re‐emergence by creating an alternative fracture plane through controlled manipulation of the molecular network. This demonstrative deactivation and reactivation of triboluminescence underscores the critical role of intermolecular disruption in generating charge pairs, a prerequisite for triboluminescence. [ABSTRACT FROM AUTHOR]

We report the synthesis and full characterization of the copper dinitrogen complex [(η1‐N2)Cu{Al(ORF)4}] 2 (RF=C(CF3)3) prepared by a cascade metathesis reaction of Ag[Al(ORF)4] with CuI‐excess in iso‐perfluorohexane (i‐pfh) under N2 atmosphere. Title compound 2 features an extraordinarily high N2 stretching frequency at 2313/2314 cm−1 (IR/Raman) and was characterized by single‐crystal and powder X‐ray diffractometry. Quantum chemical charge displacement analysis based on natural orbitals of chemical valence (CD‐NOCV) indicates that the copper‐dinitrogen interaction is still governed by weak π‐backdonation, but is significantly reduced compared to all literature‐known transition metal dinitrogen complexes. [ABSTRACT FROM AUTHOR]

ABSTRACT Copper complexes exhibit promising anticancer properties, which can be further promoted by suitable ligands. In this study, we synthesized and investigated the anticancer effects of three copper(I) complexes with N‐heterocyclic carbene (NHC) ligands derived from phenanthroline‐functionalized imidazole salts. The synthesis of these NHC‐copper(I) complexes (Cu1‐Cu3) was meticulously characterized using NMR and elemental analysis; their crystal structures were further delineated by X‐ray diffraction. Our findings illustrate the unique geometric configurations of these complexes: Cu1 features a dinuclear arrangement with off‐linear geometry; Cu2 and Cu3 are characterized by a bi‐copper core stabilized by two phenanthroline‐modified carbene ligands. Crucially, in vitro cytotoxic evaluations revealed that these complexes possess suitability anticancer activity. Among them, Cu2 exhibited enhanced cytotoxicity activity, achieving a half‐maximal inhibitory concentration (IC50) of 4.36 ± 0.25 μM in colon cancer cell line HCT‐116, markedly surpassing the efficacy of cisplatin. Subsequent investigations elucidated that Cu2 notably increases intracellular reactive oxygen species (ROS) levels and induces mitochondrial membrane depolarization and endoplasmic reticulum stress, leading to oxidative stress‐mediated apoptosis of colon cancer cells. [ABSTRACT FROM AUTHOR]

In this study, we aimed to develop protein‐based metal ligands to catalyze cis‐selective cyclopropanation using the TM1459 cupin protein superfamily. Copper complexes with TM1459 mutants containing the 3‐His metal‐binding site exhibited excellent diastereoselectivity in cyclopropanation reactions with styrene and ethyl diazoacetate. Further mutations in the secondary coordination sphere increased the cis‐preference with t‐butyl diazoacetate as the substrate with up to 80 : 20 (cis:trans ratio) and high enantioselectivity (90 % ee). [ABSTRACT FROM AUTHOR]

The synthesis and characterization of metal complexes have garnered significant attention due to their versatile applications in scientific and biomedical fields. In this research, two novel copper (Cu) complexes, [Cu(L)(L′)(H2O)2] (1) and [Cu(L)(Im)H2O] (2), where L = pyridine-2,6-dicarboxylic acid, L′ = 2,4-diamino-6-hydroxypyrimidine, and Im = imidazole, were investigated concerning their sonochemical synthesis, spectroscopic analysis, and biological activity. The complexes' structural characterization was achieved using analytical techniques, including single-crystal X-ray structure determination, FTIR, PXRD, TGA and DTA, SEM, TEM, and EDS. Complex (1) displayed a six-coordinated Cu2+ ion, while complex (2) exhibited a five-coordinated Cu2+ ion. The crystal structures revealed monoclinic (C2/c) and triclinic (P-1) space groups, respectively. Both complexes showcased zero-dimensional (0D) supramolecular networks, primarily driven by hydrogen bonding and π–π stacking interactions, which played pivotal roles in stabilizing the structures and shaping the unique supramolecular architecture. Both complexes demonstrated significant antioxidant activity, suggesting their capability to neutralize free radicals and mitigate oxidative stress-related diseases. Hemolysis percentages were less than 2%, per the ASTM F756-00 standard, indicating non-hemolytic behavior. Low cytotoxicity was observed against fibroblast and MCF-7 cell lines. They do not exhibit antibacterial activity against Escherichia coli and Staphylococcus aureus. These findings suggest that the synthesized Cu2+‒complexes hold considerable promise for applications in drug delivery and cancer treatment. This research contributes to the advancement of supramolecular chemistry and the development of multifunctional materials for diverse scientific and medical applications. [ABSTRACT FROM AUTHOR]

In this study, the reaction between 2-(3,5-dimethylpyrazolylmethyl)-5-(dimethylaminomethyl)pyrrole and thiophenol under heating conditions afforded the new ligand 2-(3,5-dimethylpyrazolylmethyl)-5-(phenylthiomethyl)pyrrole 2. The reaction of 2 with meta-chloroperbenzoic acid provided sulfoxide 3 and sulfone 4 group-containing ligands. The reaction of 2 with copper(I) halides provided the binuclear complexes [Cu(μ-X){μ-C4H3N-2-(CH2Me2pz)-5-(CH2SPh)-κ2-S,N}]2 (X = Cl, Br and I, 5–7) in high yields. Conversely, the analogous reaction of 4 with copper(I) halides yielded two types of complexes, three coordinate bi- and mononuclear of the type [Cu(μ-Cl){C4H3N-2-(CH2Me2pz)-5-(CH2SO2Ph)-κ1-N}]28 and [CuX{C4H3N-2-(CH2Me2pz)-5-(CH2SO2Ph)-κ1-N}2], X = Br, 9 and I, 10. When the reaction was carried out in the presence of KPF6, the two-coordinate complex [Cu{C4H3N-2-(CH2Me2pz)-5-(CH2SO2Ph)-κ1-N}2]PF6−11a was isolated, whereas its BF4− analogue 11b was synthesized by the reaction of 8 with AgBF4. The structures of these complexes were determined using single-crystal X-ray crystallography. These copper complexes catalyzed the hydroamination–alkynylation reaction between several secondary amines and alkyl and aryl terminal alkynes. Using 1 mol% of complexes 5–10 as catalysts, both tri- and tetra-substituted propargylamines were isolated. Alternatively, phenylacetylene and different secondary amines afforded the corresponding trisubstituted propargylamines as the major products and alkyl terminal alkynes gave the tetrasubstituted products in excellent yields. In addition, the role of counter anions such as TfO−, PF6−, BF4−, PO43− and Ph4B− on the product selectivity was studied. When fluorinated anions such as TfO−, PF6−, and BF4− were present with the copper complexes, the hydroamination–hydrovinylation product 1-aminodiene 23 was observed, which was not formed with PO43−, Ph4B− or halide ions. Specifically, TfO− and PF6− favored the formation of 23, while BF4− favored the tetrasubstituted product as the major product. This was further supported by the isolated copper(I) complexes containing PF6− and BF4− and by other specific reactions. The peaks for enamines and [LCu]+ species in the HRMS spectra of the reaction mixtures and the isolation of the morpholinium copper(I) salt support the proposed mechanism. [ABSTRACT FROM AUTHOR]

In situ growth of intertwined trinuclear copper complexes (nCu3) on a cellulose-derived carbon support (CMC) produced a high-performance electrocatalyst (CMC–nCu3) for the oxygen reduction reaction (ORR), which demonstrated superior performance in zinc–air batteries compared to a commercial Pt/C catalyst. This work highlights the importance of copper-based molecular catalysts with rich and intertwined tricopper structures for boosting both ORR activity and stability. [ABSTRACT FROM AUTHOR]

An aroylhydrazone compound (HL) was prepared and explored as a ligand (HL = N'-(2-hydroxy-4-methoxybenzylidene)-3-hydroxy-4-methoxybenzohydrazide). Reaction of the aroylhydrazone ligand with copper bromide and copper chloride afforded two new copper(II) complexes, [Cu2Br2L2] (1) and [CuL(DMF)]Cl (2), respectively. The aroylhydrazone ligand and copper complexes were characterized by CHN elemental analyses and infrared spectroscopy. Structures were further confirmed by single crystal X-ray diffraction experiments. The aroylhydrazone compound coordinates to Cu atoms through its phenolate oxygen, imino nitrogen and carbonyl oxygen. The Cu atom in 1 adopts a square pyramidal coordination, with three donor atoms of one L and one phenolate oxygen of a second L in the basal plane, and with one Br ligand at the apical position. The Cu atom in 2 is square pyramidal, with three donor atoms of one L and one oxygen of a DMF ligand in the basal plane, and with one Cl ligand at the apical position. Crystal structures of the aroylhydrazone and the copper complexes are stabilized by hydrogen bonds. The complexes possess antibacterial activities against B. subtilis, S. aureus and E. coli. [ABSTRACT FROM AUTHOR]

Copper complexes, also called "copper soaps" when referred to carboxylate compounds, have become a concern in the conservation of historical artefacts. These complexes are suspected to play a significant role in degradation processes such as darkening and cracking of painting layers. Here we propose the Continuous Wave Electron Paramagnetic Resonance spectroscopy (CW-EPR) as a tool for the identification of these species. EPR spectroscopy is a micro-invasive and non-destructive technique that is highly sensitive to paramagnetic species, including radicals, crystal defects, and transition metal ions, e.g., Cu(II) and Fe(III). We have selected the verdigris (copper acetate) pigment combined with many organic binders, e.g., egg tempera and gum Arabic, as mock-up systems because of the known degradation tendency of the copper-based pigment. We would like to demonstrate that a precise analysis of the experimental spectra assisted with the calculus of the main magnetic quantities could lead to a good characterization of the copper complexes (or "soaps"). [ABSTRACT FROM AUTHOR]

The crystal structures of two coordination compounds, (acetato‐κO)(2,2′‐bipyridine‐κ2N,N′)(1,10‐phenanthroline‐κ2N,N′)copper(II) acetate hexahydrate, [Cu(C2H3O2)(C10H8N2)(C12H8N2)](C2H3O2)·6H2O or [Cu(bipy)(phen)Ac]Ac·6H2O, and (acetato‐κO)bis(2,2′‐bipyridine‐κ2N,N′)copper(II) acetate–acetic acid–water (1/1/3), [Cu(C2H3O2)(C10H8N2)2](C2H3O2)·C2H4O2·3H2O or [Cu(bipy)2Ac]Ac·HAc·3H2O, are reported and compared with the previously published structure of [Cu(phen)2Ac]Ac·7H2O (phen is 1,10‐phenanthroline, bipy for 2,2′‐bipyridine, ac is acetate and Hac is acetic acid). The geometry around the metal centre is pentacoordinated, but highly distorted in all three cases. The coordination number and the geometric distortion are both discussed in detail, and all complexes belong to the space group P. The analysis of the geometric parameters and the Hirshfeld surface properties dnorm and curvedness provide information about the metal–ligand interactions in these complexes and allow comparison with similar systems. [ABSTRACT FROM AUTHOR]

The study results of the copper influence on the thermal decomposition kinetics of complex nitrogen–phosphorus–potassium chloride-containing ammonium nitrate-based fertilizers with different molar ratios of ammonia to phosphoric acid by thermogravimetry and differential scanning calorimetry are presented. Measurements are taken in non-isothermal conditions at constant heating rates in the temperature range of 20–250 °C. Calculations of the decomposition rate and the heat release rate depending on the extent of decomposition under isothermal conditions are performed by the Friedman isoconversional method. Based on the conducted research results, conclusions about the causes of the copper influence in a complex fertilizer composition on the thermal decomposition kinetics are made. It is shown that in the presence of copper in chloride-containing ammonium nitrate-based fertilizers the decomposition and heat release rates, and the magnitude of exothermic decomposition effect increase. It was also found that copper compounds do not affect the initial decomposition stage. [ABSTRACT FROM AUTHOR]

The corrosion resistance of modification rubberwood with micro sized copper zinc compounds (MCZ) can reach the national level I corrosion resistance standard, but in order to adapt to complex environmental applications, the leaching resistance and dimensional stability need to be further improved. Propylene glycol was used to modify MCZ, and then combined with tannin-boric acid for synergistic treatment of rubberwood. The results showed that when the rubberwood was impregnated with PG-MCZ and modified with tannin-boric acid with a mass concentration of 1%, the leaching resistance of the treated wood was the best. At this point, the modified rubberwood had the best anti moisture expansion and anti drying shrinkage effects, and the best dimensional stability. Although the addition of propylene glycol slightly weakened the corrosion resistance of rubberwood, it can still meet the national level I corrosion resistance standard and improve flame retardancy and smoke suppression of rubberwood. This study has a positive effect on promoting the development and utilization of environmentally friendly wood preservatives. [ABSTRACT FROM AUTHOR]

• Research on emerald green pigment degradation is on systematic samples. • 5 different emerald green degradation products were obtained in 15 systematic samples. • Evidence for emerald green pigment degradation process was found. • The possible degradation process of emerald green pigment was pointed out. • The change from green to blue was determined to be caused by Lavendulan. Emerald green pigment was widely used in painted cultural artifacts during the 19th and 20th centuries. However, this pigment is inherently unstable, leading to a certain degree of degradation, thereby capturing the widespread attention of research scholars due to its degradation mechanisms. Previous studies primarily relied on the compositional analysis of individual samples, thus only observing the results of the degradation at a certain stage without reflecting the dynamic process of change. The Sichuan region in China hosts a large number of grottoes and cliff statues, many of which have undergone modern repainting. Focusing on the green pigment from these cultural relics, this research aims to capture the degradation products of emerald green at different stages. This approach promises a more systematic and comprehensive understanding of the degradation process, consequently advancing the exploration of its degradation mechanisms. In this study, 15 green pigment samples from five different painted grottoes in the Sichuan region were collected for analysis. Employing technological analytical methods, the presence of emerald green pigment (Cu(C 2 H 3 O 2) 2 ·3Cu(AsO 2) 2) was identified, along with several other substances containing Cu and As elements, such as Lavendulan (NaCaCu 5 (AsO 4) 4 Cl·5H 2 O), copper arsenate (Cu 3 (AsO 4) 2), alkaline arsenate copper compounds Cu 3 (AsO 4)(OH) 3 , Cu 2 (AsO 4)(OH)·3H 2 O and Cu(AsO 3 OH)·2H 2 O. The elemental compositions, chemical structures, and Raman spectra of these substances exhibit obvious connections and progressive relationships. This study, for the first time, elucidates the diverse degradation products of emerald green pigment from cultural artifacts within similar coexistence environments. It outlines a tentative degradation route, namely: (1) Oxidation and decomposition of Cu(C 2 H 3 O 2) 2 ·3Cu(AsO 2) 2 → Formation of Cu 3 (AsO 4) 2 , alkaline arsenate copper compounds and Ca(C 2 O 4)·H 2 O; (2) Transformation of Cu 3 (AsO 4) 2 , alkaline arsenate copper compounds→ Formation of NaCaCu 5 (AsO 4) 4 Cl·5H 2 O. Throughout this process, the macroscopic color changes from green to blue. Emerald green pigment has been widely used in painted cultural relics from the late Qing Dynasty to modern times in China. This pigment has obvious degradation phenomenon and will gradually show a blue tint. At present, research on the pigment degradation process is still insufficient. This study is the first to analyze the different intermediate products of emerald pigment from a large number of systematic cultural relic samples, and roughly lists its degradation process. [Display omitted] [ABSTRACT FROM AUTHOR]

The title compound, bis[μ-2,2′-(4H-1,2,4-triazole-3,5-diyl)diacetato]bis[diaquacopper(II)] dihydrate, [Cu2(C6H5N3O4)2(H2O)4]·2H2O, is a dinuclear octahedral CuII triazole-based complex. The central copper atoms are hexa-coordinated by two nitrogen atoms in the equatorial positions, two equatorial oxygen atoms of two carboxylate substituents in position 3 and 5 of the 1,2,4-triazole ring, and two axial oxygen atoms of two water molecules. Two additional solvent water molecules are linked to the title molecule by O—H⋯N and O⋯H—O hydrogen bonds. The crystal structure is built up from the parallel packing of discrete supramolecular chains running along the a-axis direction. Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H⋯O/O⋯H (53.5%), H⋯H (28.1%), O⋯O (6.3%) and H⋯C/C⋯H (6.2%) interactions. The crystal studied was twinned by a twofold rotation around [100]. [ABSTRACT FROM AUTHOR]

Synthesis, characterization and structural relevance of four new copper carboxylate complexes (1–4) has been presented here. The complexes have been synthesized by direct treatment of the substituted phenyl acetate and pyridine ligands in aqueous medium. The complexes were stable indefinitely with excellent yields and were characterized using spectroscopic and single crystal XRD techniques. FTIR spectroscopy revealed the bridging bidentate coordination mode for the carboxylate moiety in accordance to the actual structure revealed by XRD. Moreover, UV-Visible spectroscopic and cyclic voltammetric studies helped in their characterization and yielded signals which were typical of the copper(II) complexes. Successfully solved single crystal XRD data showed binuclear paddlewheel structures for all the complexes with both copper ions linked through four OCO bridges of ortho-methoxy phenyl acetate (1–3) and ortho-methyl-meta-nitrophenyl acetate (4). The geometry around each copper was distorted square pyramidal where the apical positions are occupied by meta-bromopyridine (1), meta-methylpyridine (2) and DMSO (3 and 4) molecules. The complexes exhibited excellent DNA-binding activity majorly via intercalation as revealed by four experimental techniques. This preliminary study showed that the synthesized complexes add to the existing treasury on the paddlewheel complexes. Air stable newly synthesized and purified crystalline complexes with their preliminary structural relevance. [ABSTRACT FROM AUTHOR]

Traditional polyurethane (PU) catalysts, especially dibutyl tin dilaurate, face scrutiny over toxicity concerns, leading to interest in safer alternatives. In an unexpected turn of events, research into a commercially available antibacterial agent revealed that it drastically reduced the pot life of PU coatings. Experiments show that when PU coatings were formulated with the antibacterial agent as catalyst, drying time and solvent resistance were improved as compared to traditional tin and zirconium catalysts. Further analysis showed that this was the result of copper compounds and it could be shown that a similar catalytic effect was achieved through Cu(II)-sulfate and Cu(II)-acetate. Such copper salts are not yet commonly known as replacements for tin catalysts. Possible mechanisms such as heterogenous catalysis or in-situ formation of the active compound were discussed. [ABSTRACT FROM AUTHOR]

Copper‐based aquatic algaecides have been widely used in the management of aquatic macrophyte and harmful algal blooms for decades due to their effectiveness and low cost. However, repeated treatment of freshwater lakes results in the accumulation of copper in the sediment, which may adversely affect the ecosystem of the lakes through toxicity to benthic invertebrates and other organisms. Consequently, copper‐based aquatic herbicides and algaecides have been frequently subjected to regulations aimed at preventing further ecological deterioration in treated waterbodies. Many states in the US are taking or considering taking an approach that limits or prohibits copper treatment in waterbodies. Freshwater lakes with extensive historical copper treatments typically have significantly higher concentrations of copper in the sediment than untreated lakes. However, the correlation between the extent of the treatments and level of copper accumulation in the sediment has not been quantitatively characterized. In the present study, between 2006 and 2017, copper concentrations were measured in the sediment from selected lakes in New York State with different histories of copper‐based aquatic algaecide treatment. Analysis of these data confirmed findings from earlier studies conducted by New York State that lakes with histories of copper treatment have significantly higher copper concentrations in the sediment. It also demonstrated that sediment copper concentrations were significantly higher in the sublittoral zone than the littoral zone in treated lakes. Moreover, a positive correlation was detected between sediment copper concentrations and the total number of treatments with copper‐based aquatic algaecide for both littoral and sublittoral zones (p‐value = 7.94 × 10−8 and 3.1 × 10−13, respectively). This relationship can be used as a screening tool for regulatory agencies to identify lakes with sediment copper levels possibly higher than the toxicity threshold for aquatic life. Consequently, additional ecological risk assessment may be required before allowing future treatment with copper‐based aquatic algaecides. Integr Environ Assess Manag 2024;20:1586–1597. © 2024 SETAC Key Points: Sediment copper concentration in freshwater lakes is positively correlated with the extent of copper‐based algaecide treatment in the past.The correlation can be quantitatively characterized and used by regulators as a screening tool for management of future treatment of freshwater lakes with copper‐based algaecide. [ABSTRACT FROM AUTHOR]

Gold extraction has long relied on cyanidation yet faces challenges including toxicity and refractory ore usage. This study explores the glycine-copper-cyanide leaching system's potential for gold recovery from sedimentary rock-hosted disseminated Agh-Darreh gold ore. Initially, cyanidation experiments tested increasing temperatures' impact. Concurrently, classical experiments evaluated key parameters—temperature, time, and sodium cyanide to copper cyanide molar ratio—on gold leaching with glycine. Design of Experiments (DOE) methodology was applied, considering three interaction parameters. Results showed 90% recovery at 50°C, peaking at 93% at 35°C with an 8-h leaching time using the glycine-copper-cyanide system. Increasing the sodium cyanide-to-copper cyanide ratio furthered better gold recovery, attributed to copper glycinate complex formation with glycine, enabling free cyanide redistribution. This study underscores the glycine-copper-cyanide leaching system's efficacy as a cyanidation alternative for efficient gold extraction from sedimentary deposits. [ABSTRACT FROM AUTHOR]

Copyright of Przegląd Elektrotechniczny is the property of Przeglad Elektrotechniczny and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Baghdad Science Journal is the property of Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR) and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Triple-negative breast cancer (TNBC), accounting for 15–20% of all breast cancers, has one of the poorest prognoses and survival rates. Metastasis, a critical process in cancer progression, causes most cancer-related deaths, underscoring the need for alternative therapeutic approaches. This study explores the anti-migratory, anti-invasive, anti-tumoral, and antimetastatic effects of copper coordination compounds Casiopeína IIIia (CasIIIia) and Casiopeína IIgly (CasIIgly) on MDA-MB-231 and 4T1 breast carcinoma cell lines in vitro and in vivo. These emerging anticancer agents, mixed chelate copper(II) compounds, induce apoptosis by generating reactive oxygen species (ROS) and causing DNA damage. Whole-transcriptome analysis via gene expression arrays indicated that subtoxic concentrations of CasIIIia upregulate genes involved in metal response mechanisms. Casiopeínas® reduced TNBC cell viability dose-dependently and more efficiently than Cisplatin. At subtoxic concentrations (IC20), they inhibited random and chemotactic migration of MDA-MB-231 and 4T1 cells by 50–60%, similar to Cisplatin, as confirmed by transcriptome analysis. In vivo, CasIIIia and Cisplatin significantly reduced tumor growth, volume, and weight in a syngeneic breast cancer model with 4T1 cells. Furthermore, both compounds significantly decreased metastatic foci in treated mice compared to controls. Thus, CasIIIia and CasIIgly are promising chemotherapeutic candidates against TNBC. [ABSTRACT FROM AUTHOR]

Two halogenated Schiff bases namely, (E)-1-(((2,6-dichlorophenyl)imino)methyl)naphthalen-2-ol (L1) and (E)-1-(((4-bromo-2,6-dichlorophenyl)imino)methyl)naphthalen-2-ol (L2) were synthesized and reacted with copper(II) nitrate trihydrate in ethanol to give Cu(L1)2 (1) and Cu(L2)2 (2). All the ligands and complexes were successfully characterized using FT-IR, UV-Vis, 1H & 13C-NMR as well as mass spectra and the purity was ascertained by elemental analysis. Electron paramagnetic resonance (EPR) was used to confirm the paramagnetic nature of 1 and 2. Furthermore, the single X-ray crystal structures of 1 and 2 were determined, confirming the formation of mononuclear species in which the Cu(II) center was bonded to two bidentate Schiff bases (L1 or L2) adopting a slightly distorted square planar geometry. Density Function Theory studies revealed that, complex 2 with lowest energy band gap (ΔE) of 2.49 eV is the most reactive among the compounds. α-Amylase and α-glucosidase assays were used to evaluate the antidiabetics potential of the compounds. Complexes 1 and 2 displayed very promising antidiabetic activities with IC50 values of 148.126 mM and 107.786 mM for α-amylase assay while it was 171.559 mM for acarbose (reference drug). The antioxidant potential of the compounds was investigated using nitric oxide (NO), ferric reducing ability power (FRAP) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) assays. The compounds showed moderate to good antioxidant activities with 1 and 2 having IC50 values of 100.044 mM and 247.463 mM for NO scavenging assay, which relatively surpass Vanillin with IC50 value of 466.626 mM. All the compounds showed poor to moderate results against Escherichia coli, Staphylococcus aureus, Bacillus substilis, and Pseudomonas aeruginosa. However, none of them were active against Klebsiella pneumoniae. Generally, 1 and 2 displayed better antidiabetes, antioxidant, and antibacterial potential than L1 and L2. Predicted physicochemical and pharmacokinetic properties of all the compounds showed minimal violation of Lipinski's Ro5. [ABSTRACT FROM AUTHOR]

In a previous study, we showed that the properties and the ability as an entatic state model of copper guanidine quinoline complexes are significantly influenced by a methyl or methyl ester substituent in the 2-position. To prove the importance of the 2-position of the substituent, two novel guanidine quinoline ligands with a methyl or methyl ester substituent in the 4-position and the corresponding copper complexes were synthesized and characterized in this study. The influence of the substituent position on the copper complexes was investigated with various experimental and theoretical methods. The molecular structures of the copper complexes were examined in the solid state by single-crystal X-ray diffraction (SCXRD) and by density functional theory (DFT) calculations indicating a strong dependency on the substituent position compared to the systems substituted in the 2-position from the previous study. Further, the significantly different influence on the donor properties in dependency on the substituent position was analyzed with natural bond orbital (NBO) calculations. By the determination of the redox potentials, the impact on the electrochemical stabilization was examined. With regard to further previously analyzed guanidine quinoline copper complexes, the electrochemical stabilization was correlated with the charge-transfer energies calculated by NBO analysis and ground state energies, revealing the substituent influence and enabling a comparatively easy and accurate possibility for the theoretical calculation of the relative redox potential. Finally, the electron transfer properties were quantified by determining the electron self-exchange rates via the Marcus theory and by theoretical calculation of the reorganization energies via Nelsen's four-point method. The results gave important insights into the dependency between the ability of the copper complexes as entatic state model and the type and position of the substituent. [ABSTRACT FROM AUTHOR]

Copper‐catalyzed C─H oxygenation has drawn considerable attention in mechanistic studies. However, a comprehensive investigation combining radical pathways with a metal‐catalytic cycle is challenged by the intricate organic radicals and metallic intermediates. Herein, an online coupled EPR/UV–vis/near‐IR detecting method is developed to simultaneously monitor both reactive radical species and copper complex intermediates during the reaction. Focusing on copper‐catalyzed phenol oxygenation with cumene hydroperoxide, the short‐lived alkylperoxyl radical (EPR signal at g = 2.0143) as well as the unexpected square planar Cu(II)‐alkoxyl radical complex (near‐IR signal at 833 nm) are unveiled during the reaction, in addition to the observable phenoxyl radical in EPR, quinone product in UV–vis, and Cu(II) center in EPR. With a comprehensive picture of diverse intermediates evolving over the same timeline, a novel Cu(I)/Cu(II) proposed relay‐catalyzed sequential radical pathway. In this sequence, Cu(II) activates hydroperoxide through Cu(II)‐OOR into the alkylperoxide radical, while the reaction between Cu(I) and hydroperoxide leads to Cu(II)(•OR)OH with high H‐atom abstracting activity. These results provide a thorough understanding of the Cu(I)/Cu(II) relay catalysis for phenol oxygenation, setting the stage for mechanistic investigations into intricate radical reactions promoted by metallic complexes. [ABSTRACT FROM AUTHOR]

Correction for 'Addressing the gaps in homeostatic mechanisms of copper and copper dithiocarbamate complexes in cancer therapy: a shift from classical platinum-drug mechanisms' by Lydia W. Njenga et al., Dalton Trans., 2023, 52, 5823–5847, https://doi.org/10.1039/D3DT00366C. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: Herein, we present a method for the homogeneous hydrogenation of nitroarenes to produce anilines using low catalyst loading (1 mo%) of copper N‐heterocyclic carbene complexes as the catalyst and ammonia borane as the source of hydrogen. A wide range of nitroarenes, featuring diverse functional groups, were selectively transformed into their corresponding primary aromatic amines with high yields. This process can be readily scaled up and exhibits compatibility with various sensitive functional groups, including halogen, trifluoromethyl, aminomethyl, alkenyl, cyano, ester, amide, and hydroxyl. Notably, this catalytic methodology finds application in the synthesis of essential drug compounds. Mechanistic investigations suggest that the in‐situ‐generated Cu‐H species may serve as active intermediates, with reduction pathways involving species such as azobenzene, 1,2‐diphenylhydrazine, nitrosobenzene, and N‐phenylhydroxylamine. [ABSTRACT FROM AUTHOR]

Pyridine-alkoxide (pyalk) ligands that support transition metals have been studied for their use in electrocatalytic applications. Herein, we used the pyalk proligands diphenyl(pyridin-2-yl)methanol ([H]PhPyalk, L1), 1-(pyren-1-yl)-1-(pyridin-2-yl)ethan-1-ol ([H]PyrPyalk, L2), 1-(pyridine-2-yl)-1-(thiophen-2-yl)ethan-1-ol ([H]ThioPyalk, L3), and 1-(ferrocenyl)-1-(pyridin-2-yl)ethan-1-ol ([H]FePyalk, L4) to synthesize CuII complexes that vary in nuclearity and secondary coordination sphere. Also, the proligand 1-(ferrocenyl)-1-(5-methoxy-pyridin-2-yl)ethan-1-ol ([H]FeOMePyalk, L5) was synthesized with a methoxy substituted pyridine; however, the isolation of a CuII complex ligated by L5 was not possible. Under variable reaction conditions, the pyalk ligands reacted with CuII precursors and formed either mononuclear or dinuclear CuII complexes depending on the amount of ligand added. The resulting complexes were characterized by single crystal X-ray diffraction, elemental analysis, and cyclic voltammetry. [ABSTRACT FROM AUTHOR]

A novel 1D coordination polymeric copper complex based on 4‐(4′‐nitrophenylhydrazono)‐5‐trifluoromethyl‐2,4‐dihydropyrazol‐3‐one was prepared and characterized spectroscopically and thermally and via X‐ray crystallographic investigation. The prepared copper‐based structure was proved to have a 1D coordination polymer. X‐ray studies showed that the polymeric copper complex was of octahedral geometry, the ligand acted as a bidentate ligand, and the nitro group attached to the ligand acted as a bridging group. The cytotoxic activities of the copper polymer were evaluated including against MCF‐7 cells (breast cancer cell line), HepG‐2 cells (hepatocellular carcinoma), and HCT‐116 cells (colon cancer cell line). The morphological alterations of the complex treated cells were investigated using an inverted microscope. The cell cycle and apoptosis were evaluated and reported. The copper polymer exhibited the best antitumor activity against HepG‐2 cells (35.22 ± 4.80 μM) while also causing a decline in the G2/M phase and a remarkable enhancement in the early apoptosis. [ABSTRACT FROM AUTHOR]

Infrared thermography (IRT), as a non-contact condition monitoring (CM) technique, measures the temperature distribution of machines and components to detect anomalous thermal behaviour. It is usually considered as a complementarytechnique and nowadays is used in a wide variety of industrial applications. In this paper, two commonly used criteria to assess the condition of machines based on the infrared thermography technique, ie absolute and relative temperature criteria, are represented. Then, the importance of the temperature trend in condition monitoring and fault diagnosis of machines and components is described. The ThermaITrend software, which was developed in the Condition Monitoring Unit, Smelting Department, Sarcheshmeh Copper Complex in Rafsanjan, Iran, is introduced and its most important and unique features are discussed. This software package helps thermographers toorganise thermal images and provides the temperaturetrends of machines and components that are under regular monitoring. Finally, some industrial case studies on the usefulness and applicability of the infrared thermography technique and the ThermaITrend software are reported. [ABSTRACT FROM AUTHOR]

The mechanism of oxidation of phenols by tetrahedral copper(II)–halide complexes was investigated to demonstrate that phenols with an electron-withdrawing substituent are oxidized via a proton-transfer/electron-transfer (PTET) mechanism, whereas phenols with an electron-donating substituent involve a concerted proton/electron transfer (CPET) mechanism. The importance of the tetrahedral geometry of the metal centre as well as the effects of the halide ligands of the substrates were explored. [ABSTRACT FROM AUTHOR]

The Cu⋯Cu interactions, known as cuprophilicity, play a significant role in copper–chalcogenide functional materials. Three dinuclear copper chalcogenone complexes, [(L1CuI)2] (1), [(L2CuI)2] (2) and [Cu2(L3)4]PF6 (3), have been isolated and characterized. L1 = 1-(9-methyl anthracene)-2-isopropyl-benzimidazole-2-thione; L2 = 1-(9-methyl anthracene)-2-isopropyl-benzimidazole-2-selenone and L3 = 1-pyridine-2-isopropyl-imidazole-2-selenone, ligands and 1–3 were characterized by 1H NMR, 13C NMR, FT-IR, and SCXRD. Complexes 1 and 2 compress a four-membered strained ring system bridged by iodine, whereas 3 consists of a similar-four-membered ring core bridged by a selenium ligand. The Cu⋯Cu interactions in the crystal structures are observed (2.591 Å for 1, 2.576 Å for 2, and 2.523 Å for 3). The bridging ligand shows a key contribution to the Cu⋯Cu interactions. The density functional theory calculations also confirm the presence of d10⋯d10 interactions, which are predominantly covalent in nature. The computational study also shows the effect of the bridged ligands on the d10⋯d10 interactions and overall stability of the complexes, where complex 2 is the most stable followed by 1, and after that 3, although the d10⋯d10 interactions were the strongest in the case of 3. [ABSTRACT FROM AUTHOR]

The synthesis of phosphine acetylide amidinate stabilized copper(I) and gold(I) heterobimetallic complexes was achieved by reacting ligand [{Ph2PC≡CC(NDipp)2}Li(thf)3] (Dipp=2,6‐N,N′‐diisopropylphenyl) with CuCl and Au(tht))Cl, yielding the eight membered ring [{Ph2PC≡CC(NDipp)2}2Cu2] and the twelve membered ring [{Ph2PC≡CC(NDipp)2}2Au2]. {Ph2PC≡CC(NDipp)2}2Cu2] features a Cu2 unit, which is bridged by two amidinate ligands, served as a metalloligand to synthesize the heterobimetallic CuI/AuI complexes [{(AuX)Ph2PC≡CC(NDipp)2}2Cu2] (X=Cl, C6F5). In these reactions, the central ring structure is retained. In contrast, when the twelve membered ring [{Ph2PC≡CC(NDipp)2}2Au2] was reacted with CuX (X=Cl, Br, I and Mes), the reaction led to the rearrangement of the central ring structure to give [{(AuX)Ph2PC≡CC(NDipp)2}2Cu2] (X=Cl, Br, I and Mes), which feature the same the eight membered Cu2 ring as above. These compounds were also synthesized by a one‐pot reaction. The luminescent heterobimetallic complexes were further investigated for their photophysical properties. [ABSTRACT FROM AUTHOR]