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This document is a contents list for the journal "Dalton Transactions: An International Journal of Inorganic Chemistry." It provides a list of research papers published in the journal in 2024. The topics covered in these papers include carbon-based photoelectrochemical sensors, catalytic dehydrogenation of n-alkanes, metal-organic frameworks, and coordination polymers. The journal aims to foster connections within the global chemistry community and welcomes contributions from scientists at all career stages and countries. One of the papers explores the regulation of thermal expansion in a specific layer through axial coordination and dimensional reduction. Another paper investigates the synthesis, structure, and magnetic properties of one-dimensional lanthanide coordination polymers. The third paper focuses on the structural engineering of hollow nanorods with high-performance peroxidase-like activity for colorimetric detection. [Extracted from the article]

The document is a contents list for the journal "Dalton Transactions: An International Journal of Inorganic Chemistry." It includes various articles and papers on topics such as copper complexes, lanthanide-based POMs, and coordination polymers. The journal is published by The Royal Society of Chemistry, a leading chemistry community. The document also mentions approved training courses offered by the society. The given document is a list of papers published in the journal Dalton Transactions. The papers cover a range of topics in chemistry, including catalysis, phosphors, materials synthesis, and more. Each paper is identified by its title, authors, and page number. The document also includes a correction and a retraction for two previously published papers. [Extracted from the article]

The document is a contents list for the journal CrystEngComm, which focuses on the design and understanding of solid-state and crystalline materials. It includes a list of papers featured in the issue, covering topics such as the photothermal weak absorption of a crystal, halogen bonding proclivity in cocrystals, and the structure and electrical properties of doped single crystals. The journal is published by The Royal Society of Chemistry, a leading chemistry community. The document also mentions approved training courses offered by the society. [Extracted from the article]

In this paper, carbon-matrix-supported copper (Cu) and cobaltous oxide (CoO) nanoparticles were obtained by using coordination polymers (CPs) as a precursor. The aqueous solutions of copper methacrylate (CuMA) and cobalt methacrylate (CoMA) were preferentially prepared, which were then mixed with anhydrous ethanol to fabricate dual metal ion coordination polymers (CuMA/CoMA). After calcination under an argon atmosphere, the Cu-CoO/C nanocomposite was obtained. Scanning electron microscope (SEM) and transmission electron microscope (TEM) showed that the material has banded morphology, and the dual functional nanoparticles were highly dispersed in the carbon matrix. The prepared material was used in a heterogeneous Fenton-like reaction, with the aim of replacing traditional ferric catalysts to solve pH constraints and the mass production of ferric slime. The obtained nanocomposite showed excellent catalytic performance on the degradation of methylene blue (MB) at near-neutral conditions; the discoloration efficiency is about 98.5% within 50 min in the presence of 0.15 mmol/mL H2O2 and 0.5 mg/mL catalyst. And good reusability was verified via eight cycles. The plausible pathway for MB discoloration and the possible catalytic mechanism was also proposed. [ABSTRACT FROM AUTHOR]

The document is a contents list for the journal "Dalton Transactions: An International Journal of Inorganic Chemistry," published by The Royal Society of Chemistry. It features articles and papers on various topics, including synthetic routes and chemical structural analysis for new Pt(II) metallodrug design and the synthesis and reactivity of air stable Ni(II) complexes. The correction notice in the document acknowledges an error in the original publication of a study on the reactivity of a Lewis superacidic carborane-based compound towards Lewis bases, authored by Libo Xiang, Alexander Matler, Leibo Tan, and Qing Ye. The notice provides the correct page number for the article. [Extracted from the article]

The new homochiral 1D metal–organic coordination polymer {Cu[bdc-(N-MePro)H2O]·0.25H2O}n was synthesized using 2-[(1-methyl- L -prolyl)amino]terephthalic acid, which was obtained for the first time. The unique crystal structure of the new compound was determined using powder X-ray diffraction. The catalytic performance of {Cu[bdc-(N-MePro)H2O]·0.25H2O}n in the asymmetric ring opening reactions of styrene oxide and cyclohexene oxide with aniline was evaluated. [ABSTRACT FROM AUTHOR]

Two new cyano-bridged coordination polymers, {[Ni(bpe)(H2O)2][Ni(CN)4]·2H2O}n (1) and {[Cu(bpe)(H2O)2][Ni(CN)4]·ethanol}n (2) (bpe = 1,2-bis(4-pyridyl)ethane) were synthesized and characterized. This was part of a study attempting to rationalize the formation of Hofmann coordination polymers over their aqua-derivatives, in which we found that the length of the ligand does not control the outcome of the synthesis. In the initial phase of thermogravimetric analysis, compound 1 lost the guest water molecule while compound 2 lost its guest ethanol. Single crystal X-ray diffraction revealed that both compounds crystallize in P1¯ with similar unit cell parameters. In both compounds, the Ni(II) ion is coordinated with four cyanide–carbon atoms in a square planar geometry and Cu(II) or the second Ni(II) ion adopts a distorted octahedral coordination by two bpe ligands, two bridging cyano groups, and two water molecules. In both structures, chains composed of adjacent [Ni(C12H12N2)(H2O)2]2+ (for 1) or [Cu(C12H12N2)(H2O)2]2+ (for 2) are further linked together via [Ni(CN)4]2− units and extend to generate a two-dimensional framework. The presence of disordered terminal cyanide moieties in 1 could be attributed to a larger volume available to this moiety in the structure of 1. The BET surface areas of the activated phases 1′ of 1 and 2′ of 2 are 28 m2 g−1 and 5 m2 g−1, respectively, and originally, they have no pores to accommodate gas molecules at low pressure (1 atm). 1′ does not adsorb carbon dioxide at 195 K (0.30 mmol g−1), 273 K (0.086 mmol g−1) and 298 K (0.056 mmol g−1), or hydrogen at 77 K, but it shows an affinity to adsorb nitrogen (around 2.5 mmol g−1) at 77 K and water vapor molecules (around 0.95 mmol g−1) at 298 K with typical type-II isotherms. 2′ adsorbs a small quantity of water vapor (around 0.20 mmol g−1) at 298 K and does not adsorb carbon dioxide at 195 K (0.125 mmol g−1), 273 K (0.069 mmol g−1) and 298 K (0.062 mmol g−1), or hydrogen at 77 K, but shows more affinity to adsorb nitrogen (around 1.2 mmol g−1) at 77 K. [ABSTRACT FROM AUTHOR]

Although organometallic porous polymer networks are recognized as promising heterogeneous catalysts, the relationship between ligand/monomer geometry and network parameters is usually not well understood due to the lack of atom-resolved characterization methods for the amorphous network matrix. In this work, a series of copper(II) salen-type metal complexes was synthesized, using trans- and cis-1,2-diaminocyclohexane segments, and thoroughly characterized by single-crystal X-ray diffraction and solution- and solid-state NMR spectroscopy. Terminal ethynyl groups of the complexes were then transformed into polyacetylene chains by coordination chain-growth homopolymerization, resulting in highly porous (458–655 m2 g−1) organometallic polymer networks with a copper(II) ion content of about 12 wt%. The presence of paramagnetic copper(II) moieties in these complexes and respective polymer networks required the application of tailored NMR techniques, which together with X-ray crystallography and DFT calculations of the paramagnetic NMR shifts made it possible to investigate the differences in the complex geometry in liquid, powder and crystalline form and compare it with the complex geometry in polymer networks. All prepared organometallic polymer networks were also tested as heterogeneous catalysts for styrene oxidation with uncommonly high substrate conversions and compared with their low-molecular-weight analogues. The high reusability of such heterogeneous polymer-based catalysts was also proven. [ABSTRACT FROM AUTHOR]

A thiophene-derived Schiff base ligand (E)-2-morpholino-N-(thiophen-2-ylmethylene)ethanamine was used for the synthesis of M(II) complexes, [TEM(M)X2] (M = Co, Cu, Zn; X = Cl; M = Cd, X = Br). Structural characterization of the synthesized complexes revealed distorted tetrahedral geometry around the M(II) center. In vitro investigation of the synthesized ligand and its M(II) complexes showed considerable anti-urease and leishmanicidal potential. The synthesized complexes also exhibited a significant inhibitory effect on urease, with IC50 values in the range of 3.50–8.05 μM. In addition, the docking results were consistent with the experimental results. A preliminary study of human colorectal cancer (HCT), hepatic cancer (HepG2), and breast cancer (MCF-7) cell lines showed marked anticancer activities of these complexes. [ABSTRACT FROM AUTHOR]

Decatungstate (W10O324−, DT) is a metastable polyoxometalate anion which presents excellent photocatalytic ability. In order to stabilize the DT species, four decatungstate-based coordination polymer compounds with different DT coordination modes, namely [Cu2(3-bpo)2(H2O)2(DMSO)2][W10O32]·14H2O (1), [Cu2(3-bpo)2(DMSO)4][W10O32] (2), [Cu2(4,4′-bipy)4][H2W10O32] (3) and [Cu(4,4′-bipy)3(DMSO)(H2O)][TBA][HW10O32]·H2O (4) (DMSO = dimethyl sulfoxide, 3-bpo = 2,5-bis(3-pyridyl)-1,3,4-oxadiazole, 4,4′-bipy = 4,4′-bipyridine, TBA = tetrabutylammonium) were synthesized under controlled solvothermal conditions in the mixed solvent of DMSO and H2O. The heterogeneous photocatalytic activity of these four compounds in the degradation of rhodamine B was tested and the results show that they possess fairly high photocatalytic activity without leaching of DT during the reaction. The effect of the coordination modes of terminal oxygen (Ot) atoms in DT anions on the activity was investigated. [ABSTRACT FROM AUTHOR]

Series of mixed-ligand coordination polymers (CP) and metal–organic frameworks (MOFs) based on bulky 9,10-di(1H-imidazol-1-yl)anthracene (dia) were synthesized from aqueous solutions even with very short (<10 min) reaction times. Two different metals (M = Cu, Ni) and three different secondary ligands were used to generate six new structures: [Cu2(dia)2(5-aip)2]·6H2O (1), [Ni2(dia)2(5-aip)2]·5H2O (2), [Cu2(dia)2(2-ata)2]·4H2O (3), [Ni(dia)(2-ata)·Ni(dia)2(2-ata)]·2.5H2O (4), [Cu8(dia)2(5-sip)4(OH)4] (5) and [Ni3(dia)5(5-sip)2]·6DMF·14H2O (6). Structure analyses involving single-crystal X-ray diffraction (SCXRD), powder X-ray diffraction (PXRD) and Fourier-transform infrared spectroscopy (FT-IR) were conducted along with studies determining the thermal stabilities and optical properties of the compounds. The results indicate that the developed fast and green syntheses can produce pure CP and MOF phases that have various thermally stable and visible light absorbing structures which may find applications in photocatalysis. [ABSTRACT FROM AUTHOR]

Inorganic–organic hybrid semiconductors based on copper(I) halide are intriguing luminescent materials possessing great prospects as rare-earth elements (REEs) free phosphors for use in solid-state lighting (SSL). However, it is still a great challenge to develop such hybrid semiconducting materials with high energy blue light emission and good thermal stability simultaneously. Here, we have synthesized a brand new, one-dimensional (1D) organic–inorganic semiconductor CuI-Pytz (Pytz = 4-(pyrid-2-yl)-1,2,4-triazole) using a solvent diffusion method, for which the structure was determined by single crystal X-ray diffraction (SCXRD) and shows great thermal stability and decomposition temperature up to 220 °C. At room temperature, this indirect band gap hybrid semiconductor shows a blue emission centered at 464 nm which was nearing deep blue light (<460 nm) with a band gap energy of 2.70 eV. In addition, we developed a simple method for large-scale synthesis of the microcrystal, which significantly enhances the possibility of widespread applications for CuI-Pytz. Both density functional theory calculations and experimental studies reveal that the blue light emission originates from the combination of metal-to-ligand charge transfer (MLCT) and halide-to-ligand charge transfer (XLCT). The good thermal stability and high energy blue light emission make this low-cost and easily available copper(I) halide hybrid semiconductor a potential candidate for use as rare-earth free phosphors. [ABSTRACT FROM AUTHOR]

A new doubly carboxylato-bridged Co(II) dinuclear complex, [Co(bdtbpza)(NCS)]2 (1), was obtained in a satisfactory yield by employing a 'scorpionate'-type precursor, bdtbpza {bis-(3,5-di-tert-butylpyrazol-1-yl)acetate}, and was then structurally characterized. Single-crystal X-ray diffraction analysis revealed that, in 1, each Co(II) is penta-coordinated, leading to a distorted trigonal–bipyramidal geometry within the coordination environment of N3O2. Weak antiferromagnetic coupling within the Co(II) ions in 1 was found based on the isotropic spin Hamiltonian H = −J(S1·S2) for the Si = 3/2 system. For evaluating the spin density distribution and the mechanism for the magnetic exchange coupling, DFT analysis was performed, with the calculated result agreeing the experimental magnetic data. A study into electrochemical H2 evolution, involving cyclic voltammetry (CV), controlled potential electrolysis (CPE), and gas chromatographic (GC) analyses of the graphite electrode modified with the cobalt complex in a neutral aqueous solution revealed the high catalytic activity of the complex with a low overpotential toward H2O reduction. The faradaic efficiency of the catalyst was found to be 83.7% and the di-cobalt catalyst-modified electrode displayed quite an interesting H2-evolution activity compared with that of bare electrodes. These results are encouraging for the future potential application of 1 in water splitting. [ABSTRACT FROM AUTHOR]

A series of coordination polymers (CPs), some of them featuring an unusual architecture, have been constructed by treatment of RSCH2C≡CCH2SR (R = C6H11L1, t-Bu L2) with CuX (X = Cl, Br, I) and CuX2. The outcome of the reaction of L1 with CuI depends on the metal-to-ligand ratio. Treatment of CuI with L1 in a 2 : 1 ratio affords the luminescent 2D CP [Cu4I4(μ-L1)2]n (CP1), whose grid-shaped network is built upon Cu4(μ3-I)4 cubane-like clusters as secondary building units (SBUs), interconnected via bridging L1 ligands. The use of a 1 : 1 ratio gives a material, whose particularity is the coexistence of two topological isomers within the unit cell. The first one, [{Cu(μ2-I)2Cu}(μ-L1)2]n (CP2), consists of 1D ribbons. The second isomer having a 0D topology, [{Cu(μ2-I)2Cu}(μ-L1)2] D1, is built upon discrete molecular complexes, whose dinuclear [Cu(μ2-I)2Cu] rhomboid-shaped core is spanned by two bridging L1 ligands. Mixing CuBr with L1 in MeCN solution leads to an isostructural material incorporating both 0D [{Cu(μ2-Br)2Cu}(μ-L1)2] complex D2 along with the 1D isomer [{Cu(μ2-Br)2Cu}(μ-L1)2]n (CP3). However, only the 1D CP [{Cu(μ2-Cl)2Cu}(μ-L1)2]n (CP4) results from complexation of L1 with CuCl. A stoichiometry-dependence is also noticed upon treatment of CuI with L2. Conducting the reaction in a 2 : 1 ratio yields the luminescent 2D CP [Cu4I4(μ-L2)2]n (CP5), whereas mixing equimolar amounts of the reactants produces 2D CP [{Cu(μ2-I)2Cu}(μ-L2)2]n (CP6). Structurally similar 2D CPs [{Cu(μ2-X)2Cu}(μ-L2)2]n (CP8 and CP9) result from complexation of L2 on CuBr or CuCl, respectively. Treatment of L2 with an excess of CuBr or CuBr2 in refluxing acetonitrile led to the transfer of Br to the acetylenic triple bond, generating an olefinic halogenated dithioether ligand Bu L3 that coordinates to CuBr to generate a 1D network [{Cu(μ2-Br)2Cu}(CH3CN)(μ-L3)]n (CP9). Using different conditions (propionitrile at 293 K), the reaction of L2 and excess CuBr led to the formation of a 2D network [{Cu(μ2-Br)2Cu}(μ-L2)(μ-L3)]n (CP10) incorporating both L2 and L3 in an alternating manner as assembling ligands. An isostructural chloro-analogue 2D [{Cu(μ2-Cl)2Cu}(μ-L2)(μ-L4)]n (CP11) was obtained using CuCl or CuCl2. The crystallographic work is completed by thermal analyses and investigation of the luminescence properties of CP1 and CP5 at 77 and 298 K. [ABSTRACT FROM AUTHOR]

Metal-organic cages (MOCs) are an emerging class of porous materials with promising applications. However, controlling the configuration of the cage packing, which can influence the overall porosity of the materials, remains a difficulty, as many factors can influence the cage assembly and stacking. Herein, we report a solvent strategy to fine-tune the packing configuration of a bilayer MOC, a small triangular prism cage (six Cu ions act as vertices, three nitrate ions act as pillars, and six nitrate ions act as caps) incorporated into a large triangular prism cage (another six Cu ions act as vertices, a couple of oxygen atoms act as pillars and six ligands (L1: 3,5-bis(pyridine-3-yl)-4H-1,2,4-triazole) act as a jointed cap) by the coordination between the triazole nitrogen from L1 and the inner vertex Cu ions. The involved solvents water, acetonitrile (MeCN) and N,N'-dimethylformamide (DMF) form hydrogen bonds with this bilayer MOC, resulting in three different types of packing associated with systemically tuned porosity (NTU-93: 12.2%, NTU-94: 19.3%, and NTU-95: 42.1%). Gas adsorption and breakthrough tests demonstrate that NTU-95 has potential ability for C2H2/C2H4 separation. This work not only shows a case of finely tuned packing of coordination cages, but also provides a powerful tool that may be extended to other cage families. [ABSTRACT FROM AUTHOR]

The construction of sulfur-incorporated cluster-based coordination polymers was limited and underexplored due to the lack of efficient synthetic routes. Herein, we report facile mechanochemical ways toward a new series of SFe3(CO)9-based dipyridyl-Cu polymers by three-component reactions of [Et4N]2[SFe3(CO)9] ([Et4N]2[1]) and [Cu(MeCN)4][BF4] with conjugated or conjugation-interrupted dipyridyl ligands, 1,2-bis(4-pyridyl)ethylene (bpee), 1,2-bis(4-pyridyl)ethane (bpea), 4,4'-dipyridyl (dpy), or 1,3-bis (4-pyridyl)propane (bpp), respectively. X-ray analysis showed that bpee-containing 2D polymers demonstrated unique SFe3(CO)9 cluster-armed and cluster-one-armed coordination modes via the hypervalent µ5-S atom. These S-Fe-Cu polymers could undergo flexible structural transformations with the change of cluster bonding modes by grinding with stoichiometric amounts of dipyridyls or 1/[Cu(MeCN)4]+. They exhibited semiconducting behaviors with low energy gaps of 1.55-1.79 eV and good electrical conductivities of 3.26 × 10-8-1.48 × 10-6 S cm-1, tuned by the SFe3(CO)9 cluster bonding modes accompanied by secondary interactions in the solid state. The electron transport efficiency of these polymers was further elucidated by solidstate packing, X-ray photoelectron spectroscopy (XPS), X-ray absorption near-edge spectroscopy (XANES), density of states (DOS), and crystal orbital Hamilton population (COHP) analysis. Finally, the solid-state electrochemistry of these polymers demonstrated redox-active behaviors with cathodically-shifted patterns compared to that of [Et4N]2[1], showing that their efficient electron communication was effectively enhanced by introducing 1 and dipyridyls as hybrid ligands into Cu+-containing networks. [ABSTRACT FROM AUTHOR]

A new iodine-rich imidazole derivative 1,4-bis(4,5-diiodo-1H-imidazol-1-yl)butane (bimbI4, 1) features multiple I⋯I interactions in the solid state. Using 1 as a precursor, we prepared 1D and 2D coordination polymers of Co(II) and Cu(I) – {[Co(bimbI4)Cl2]·1.5DMF}n (2) and {[Cu2I2(bimbI4)]}n (3), respectively, also featuring extended systems of halogen bonds within their structures. [ABSTRACT FROM AUTHOR]

Four Ni, Co, Cu, Zn-containing coordination polymers incorporating 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane (H4tcps) and 1,3,5-tris(2-methyl-1H-imidazol-1-yl)benzene (tmib) ligands, namely [Ni6(tcps)3(tmib)4(H2O)2] (1), [Co6(tcps)3(tmib)4] (2), [Cu2(tcps)(tmib)(H2O)] (3) and [Zn2(tcps)(tmib)] (4), were synthesized by the solvothermal method. Compounds 1 and 2 were isostructural with three-dimensional (3D) (3,4)-connected frameworks. Compounds 3 and 4 possessed (3,4)-connected 3D networks with (6·82)(6·85)(62·82·102)(62·8) and (4·6·8)(4·63·82)(66)(67·83) topology, respectively. The thermal derivatives of compounds 1 and 2, Co-800 and Ni-700, exhibited low OER overpotentials of 338 and 388 mV to achieve a current density of 10 mA cm−2 and hold their electrocatalytic activity for at least 9 hours in 1 M KOH. [ABSTRACT FROM AUTHOR]

Self-assembly of Zn(NO3)2 with tris(2-(isoquinolin-5-yloxy)ethyl)amine (L) as a C3-symmetric tridentate N-donor in a mixture of dioxane and acetonitrile gives rise to [NO3@Zn3(NO3)5L2]·2CH3CN in the form of crystals of sandwich-shaped cages encapsulating a nitrate, whereas the same self-assembly reaction in a different mixture, benzene and ethanol, produces [Zn(NO3)L(H2O)]NO3·H2O in the form of crystals of 3D networks with cml {4,62}2{42,610,83} topology. The most interesting feature is the transformation of [NO3@Zn3(NO3)5L2]·2CH3CN crystals into [Zn(NO3)L(H2O)]NO3·H2O crystals in ethanol. A significant difference in heterogeneous transesterification catalysis between the two species is observed. On the other hand, self-assembly of Co(NO3)2 with L gives rise to 3D networks, [Co(NO3)L(H2O)]NO3·H2O, whereas self-assembly of Ni(NO3)2 and Cu(NO3)2 with L produces sandwich-type cages, [NO3@Ni3(NO3)3L2(H2O)6]2NO3·C2H5OH·C6H6 and [NO3@Cu3(NO3)5L2(C2H5OH)]·C2H5OH·2C6H6, respectively, with the latter notably showing heterogeneous catechol oxidation catalytic effects. [ABSTRACT FROM AUTHOR]

This study focused on the design and synthesis of two Cu-based coordination polymers, [Cu2(4-dpye)(5-HSIP)(μ3-O)(H2O)2]·3H2O (Cu-CP-1) and [Cu(4-dpye)0.5(BCA)2] (Cu-CP-2), where 4-dpye = N,N′-bis(4-pyridinecarboxamide)-1,2-ethane, 5-H3SIP = 5-sulfoisophthalic acid, and HBCA = benzoic acid, by using a hydrothermal method. Single-crystal X-ray diffraction (SCXRD) study revealed that by adding various auxiliary ligands, the architectures of the Cu-CPs could be altered, yielding two distinct multinuclear Cu clusters. Moreover, the Cu-CPs can be used as urease inhibitors (UIs). In vitro experiments showed that the Cu-CPs had good urease inhibition effects with IC50 values of 0.53 ± 0.01 μM for Cu-CP-1 and 1.44 ± 0.01 μM for Cu-CP-2 and 98.48% (Cu-CP-1) and 96.27% (Cu-CP-2) inhibition of urease was achieved at a concentration of 100 μM, respectively. Furthermore, the inhibition effect of the tetranuclear Cu-CP was better than that of the binuclear Cu-CP. To better understand the potential mechanism of inhibition of the two copper complexes, we performed kinetic analysis using Lineweaver–Burk (L–B) plots in the presence of different concentrations of urea and different concentrations of inhibitors, and both Cu-CP-1 and Cu-CP-2 showed a non-competitive mode of inhibition. In addition, molecular docking analysis showed that the Cu-CPs were able to enter well into the urease binding pocket, thus interacting with key amino acid residues of urease to different degrees. Both kinetic and molecular docking studies theoretically explain and demonstrate the inhibition effect of both Cu-CPs on urease activity in vitro, which is expected to provide reasonable guidance and effective strategies for the development of novel, efficient, stable and safe CP-based UIs. [ABSTRACT FROM AUTHOR]

Urease is an enzyme that catalyzes the hydrolysis of urea to ammonia and carbon dioxide. Accordingly, the addition of urease inhibitors can delay the hydrolysis of urea, and thus improve the fertilizer efficiency. Herein, a new N-donor ligand, 5-hydroxy-N1,N3-di(pyridin-3-yl)isophthalamide, was synthesized and combined with different types of acids to prepare two Cu-based coordination polymers (Cu-CPs), namely, [Cu(3-dpip)(1,3,5-HBTC)] (Cu-CP-COOH) and [Cu2(3-dpip)(5-NIP)2(H2O)2] (Cu-CP-NO2), where 1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid and 5-H2NIP = 5-nitroisophthalic acid, which served as urease inhibitors (UIs) and showed excellent inhibition with IC50 values of 1.60 ± 0.01 μM for Cu-CP-COOH and 1.24 ± 0.01 μM for Cu-CP-NO2. The role of Cu-CP-COOH and Cu-CP-NO2 in the kinetics of urease inhibition was also investigated and the Lineweaver–Burk (L–B) curves indicated that both inhibitors were anti-competitive inhibitors. A virtual screen for urease showed binding energies of −10.28 kcal mol−1 for Cu-CP-COOH and −11.34 kcal mol−1 for Cu-CP-NO2. More importantly, 5-R-isophthalic acid (R = –COOH and –NO2) played an important role in urease inhibition activity. The structure–function relationship was further discussed, which indicates that Cu-CPs can be used as a type of UI. [ABSTRACT FROM AUTHOR]

[Display omitted] A selenoantimonate (C 4 H 14 N 2) 0.5 Cu 2 SbSe 3 (1) (C 4 H 12 N 2 = 1, 4-butanediamine) was synthesized by solvothermal synthesis using 1, 4-butanediamine as solvent. By single-crystal X-ray diffraction, compound 1 has a two-dimensional (2-D) layered structure composed of a protonated organic amine [(C 4 H 14 N 2) 0.5 ]+ and an anionic layer [Cu 2 SbSe 3 ]- containing the 6-membered rings (6-MR) Cu 2 SbSe 3 and the 10-membered rings (10-MR) Cu 3 Sb 2 Se 5. Solid-state UV-diffuse reflectance analysis showed that 1 has a band gap value of 1.85 eV, indicating its potential semiconducting properties. This paper studied the photodegradation properties of selenoantimonate containing the transition metal Cu for the first time, and found that its degradation rate methylene blue (MB) was 68.5 %. In addition, a series of characterizations were also performed. [ABSTRACT FROM AUTHOR]

Two new bis-Schiff base metal(II) complexes viz., bis{N′-[(6-methoxynaphthalen-2-yl)methylidene]-N-methylcarbamohydrazonothioato}-copper(II) complex [Cu(L)2](1) and bis{N′-[(6-methoxynaphthalen-2-yl)methylidene]-N-methylcarbamohydrazonothioato}-nickel(II) complex [Ni(L)2](2), were synthesized and designed from a bidentate-N,S donor Schiff base ligand (HL), and characterized via a single crystal X-ray diffraction (SC-XRD) study, FT-IR, UV-visible and fluorescence spectroscopy, thermal analysis and DFT calculations. Single crystal X-ray diffraction analysis established the perfect square-planar geometry around the metal(II) ions obtained by the coordination of the two N and two S atoms from the two deprotonated HL ligands. Non-covalent intermolecular interactions, which are the main features of the supramolecular assembly, were investigated via Hirshfeld surface (HSs) analysis and 2D-fingerprint plots (FPs) for both the complexes. The supramolecular architecture within the crystal packing is stabilized by C–H⋯S, C–H⋯O and N–H⋯O type hydrogen bonds for the copper(II) complex [Cu(L)2](1), while C–H⋯S, C–H⋯N and N–H⋯O connecting units stabilize the supramolecular assembly for the nickel(II) complex [Ni(L)2](2). The thermal properties of the synthesized complexes offer valuable details on the stability of the complexes. The intermolecular interaction energies have been estimated and their topologies were explored using energy framework analysis. Their interactions with calf-thymus DNA (CT-DNA) and bovine serum albumin (BSA) proteins were also evaluated using UV-visible and fluorescence spectroscopic methods. Absorption titration studies revealed that they interacted strongly with CT-DNA. To gain insight into the potential antiviral applications, we examined the molecular docking of the copper(II) complex [Cu(L)2](1) and nickel(II) complex [Ni(L)2](2) with SARS-CoV-2 RNA binding protein (PDB ID: 6WKP), the Omicron RBD protein (PDB ID: 7WRL) and HIV-1 protease (PDB ID: 8CI7) viruses. They bind to the active positions of viral proteins and show good inhibition performance with target viral proteins. A stronger binding was predicted between the complexes and the SARS-CoV-2 RNA, Omicron and HIV-1 viruses through the negative values of binding affinity. The binding free energies computed using a molecular docking approach were analyzed in detail and the importance of specific interactions was outlined. Furthermore, molecular docking calculations of the complexes against DNA binding protein (PDB ID: 7UV6) were also evaluated. The calculated docking results suggested that they could be adopted as potential inhibitors for the development of new anti-SARS-CoV-2 Omicron and anti-HIV drugs. [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]

Cu catalyses electrochemical CO2 reduction to valuable multicarbon products but understanding the structure-function relationship has remained elusive due to the active Cu sites being heterogenized and under dynamic re-construction during electrolysis. We herein coordinate Cu with six phenyl-1H-1,2,3-triazole derivatives to form stable coordination polymer catalysts with homogenized, single-site Cu active sites. Electronic structure modelling, X-ray absorption spectroscopy, and ultraviolet–visible spectroscopy show a widely tuneable Cu electronics by modulating the highest occupied molecular orbital energy of ligands. Using CO diffuse reflectance Fourier transform infrared spectroscopy, in-situ Raman spectroscopy, and density functional theory calculations, we find that the binding strength of *CO intermediate is positively correlated to highest occupied molecular orbital energies of the ligands. As a result, we enable a tuning of C–C coupling efficiency—a parameter we define to evaluate the efficiency of C2 production—in a broad range of 0.26 to 0.86. This work establishes a molecular platform that allows for studying structure-function relationships in CO2 electrolysis and devises new catalyst design strategies appliable to other electrocatalysis. Understanding the structure-function relationship in Cu-catalyzed CO2 reduction is challenging due to dynamic active sites. This study introduces stable coordination polymer catalysts with homogenized, single-site Cu, enabling the study and tuning of C–C coupling efficiency in CO2 electroreduction. [ABSTRACT FROM AUTHOR]

Reactions of copper(II) sulfate with 2,2′-bipyridine (bipy) and amino acids with nonpolar side chains (l-alanine (HAla), l-valine (HVal), or l-phenylalanine (HPhe)) were investigated under different solution-based and mechanochemical methods. Five new ternary coordination compounds were obtained by a solution-based synthesis and three of them additionally by the liquid-assisted mechanochemical method: {[Cu(μ-l-Ala)(H2O)(bipy)]2SO4·2H2O}n (1a·2H2O), {[Cu(μ-l-Ala)(H2O)(bipy)][Cu(l-Ala)(H2O)(bipy)]SO4·2.5H2O}n (1b·2.5H2O), {[Cu(μ-l-Val)(H2O)(bipy)][Cu(l-Val)(H2O)(bipy)]3(SO4)2·4H2O}n (2·4H2O), [Cu(l-Phe)(H2O)(bipy)][Cu(l-Phe)(SO4)(bipy)]∙8H2O (3·8H2O), and [Cu(l-Phe)(H2O)(bipy)][Cu(l-Phe)(SO4)(bipy)]∙9H2O (3·9H2O). The compounds were characterized by single-crystal and powder X-ray diffraction, infrared spectroscopy, and a thermal analysis. Structural studies revealed two structural types, monomeric in 3·8H2O and 3·9H2O, polymeric architectures in 1a·2H2O, and mixed structures (monomeric and polymeric) in 1b·2.5H2O and 2·4H2O. The copper(II) ion is either pentacoordinated or hexacoordinated, with an observed Jahn–Teller effect. The crystal structures are based on an intensive network of hydrogen bonds and π interactions. 1a·2H2O and 2·4H2O showed substantial in vitro antiproliferative activity toward human hepatocellular carcinoma (HepG2) and moderate activity toward human acute monocytic leukemia cell lines (THP-1). [ABSTRACT FROM AUTHOR]

This document is a back cover of an article titled "Diversity of oxidation state in copper complexes with phenolate ligands" published in the journal Dalton Transactions: An International Journal of Inorganic Chemistry. The article discusses the progress made in the redox chemistry of Cu-phenolate complexes, including the discovery of various oxidation states such as Cu II -phenoxyl radical complexes, Cu III -phenolate, Cu I complexes with phenoxyl radicals, and Cu IV -phenolate complexes. The article focuses on the correlation between geometric and electronic structures of these complexes. The article also mentions the authors of the research, Tomoyuki Takeyama and Yuichi Shimazaki, and their affiliations at Sanyo-Onoda City University and Ibaraki University in Japan. [Extracted from the article]

This study was focused on the activation of the C＝P bond via reactions of Ph2C＝P-PtBu2 (1) with 1,6-hexanediol and selected dithiols (1,4-butanedithiol, 1,4-benzenedithiol and 1,4-benzenedimethanethiol). These reactions proceed according to a 1,2-addition mechanism, providing new compounds with formulas {(Ph)2(H)C-P-PtBu2}{μ2-(O-(CH2)6-O)}{tBu2P-P-C(H)(Ph)2} (2), {(Ph)2(H)C-P-PtBu2}{μ2-(S-(CH2)4-S)}{tBu2P-P-C(H)(Ph)2} (3a), {(Ph)2(H)C-P-PtBu2}{μ2-(S-C6H4-S)}{tBu2P-P-C(H)(Ph)2} (3b), and {(Ph)2(H)C-P-PtBu2}{μ2-(S-CH2-C6H4-CH2-S)}{tBu2P-P-C(H)(Ph)2} (3c). Next, the reactions of 3a and 3c with metal chlorides led to the growth of desired coordination polymers of copper(I) and silver(I). All the obtained compounds remained stable under atmospheric conditions. [ABSTRACT FROM AUTHOR]

A reaction between copper(II) nitrate and trans-1,4-cyclohexanedicarboxylic acid (H2chdc) carried out under hydrothermal conditions led to a new metal-organic coordination polymer [Cu2(Hchdc)2(chdc)]n. According to single-crystal XRD data, the compound is based on bi-nuclear paddlewheel-type carboxylate blocks that are joined with polymeric chains due to the (μ3-κ1:κ2) coordination of carboxylate groups. The chains are interconnected by chdc2− bridging ligands into layers containing free COOH groups of terminal Hchdc−. The neighboring layers adopt a RCOOH···OOCR hydrogen bond-assisted arrangement into a dense-packed structure. Magnetization measurements showed the presence of a strong antiferromagnetic exchange interaction (J/kB = −495 K) inside the bi-nuclear blocks. At the same time, no significant interaction was found between the {-Cu2(OOCR)4-} units in spite of their polymeric in-chain packing. Patterns of magnetic behavior of [Cu2(Hchdc)2(chdc)]n were thoroughly analyzed and explained from a structural point of view. [ABSTRACT FROM AUTHOR]

A family of silver(I) and copper(I) complexes containing carboxylate ligands were prepared from the corresponding carboxylic acids and Ag2O. The compounds were characterized by various spectroscopic methods and X-ray diffraction. In the solid state, the silver(I) salts are coordination polymers based on dinuclear silver species with bridging carboxylate ligands. The reaction of these silver salts with Ph3P gives four-coordinate, tetrahedral bis(phosphine) complexes. Analogous copper(I) bis(phosphine) compounds were prepared by the reduction of copper(II) carboxylates with Ph3P. Decomposition temperatures and thermal decomposition products were studied by TGA/DSC measurements. The metal compounds decomposed cleanly to their respective metals (silver or copper) at temperatures ranging from 206 to 338 °C. [ABSTRACT FROM AUTHOR]

• The pyridine polymers with cationic skeleton were obtained utilizing conjugation ring. • The cationic framework of pyridine polymers endows them with Au(III) selectivity. • The single point contact improved the pyridine polymer adsorption capacity for gold. • The cationic pyridine polymers perform well in practical solutions with significantly varying ionic concentrations. Recovering gold from rich waste printed circuit boards (WPCBs) resource are of great significance to gold development and utilization. In this paper, cationic pyridine polymers with different configurations were designed and synthesised for highly selective and efficient recovery of gold from a WPCB leaching solution. The structures and performances of the cationic pyridine polymers were analysed using a 4–aminopyridine polychloromethylstyrene (4–AP/PCMS). The results indicate that the 4–AP/PCMS performed well in an acidic environment, including in the 5 % aqua regia solution. Gold adsorption on the 4–AP/PCMS followed pseudo–second–order kinetics and Langmuir isotherm models, suggesting that chemisorption occurred via a single–layer mechanism with a maximum loading capacity of 437.68 mg/g. Further, Au(III) adsorption on the 4–AP/PCMS involved electrostatic interactions and reduction between pyridine and AuCl 4 −. After five adsorption–desorption cycles, the adsorption rate remained above 99 %, whereas in actual leaching solutions it reached 92.24 %. All five pyridine polymers demonstrated outstanding Au(III) selectivity over binary and multicomponent solutions containing Cu(II), Ni(II), Co(II), Zn(II), Fe(III), Cd(II), and Mg(II), benefitting from the cationic pyridine skeleton. Contact patterns between the cationic pyridine polymers and AuCl 4 − considerably affected the gold loading capacity, and a single–point contact was found to be favourable for gold adsorption. These results indicated that cationic pyridine polymers are promising for recovering gold from WPCB leaching solutions. [ABSTRACT FROM AUTHOR]

There are numerous studies about on nanoparticle synthesis by reducing metal salts via bio-extracts. Organic@inorganic hybrid nanoflowers (hNFs), are synthesized with expensive molecules such as enzymes, DNA and proteins. There are few studies for synthesis of hybrid nanoflowers via bio-extracts. However, the use of algae extracts as an organic component and studies on potential applications are very few. For the first time, the algae extract obtained from the brown macroalgae Desmarestia menziesii was used as the organic component of hNFs. Effect of medium pH, and algal extract concentration on morphological characteristic of hNFs were evaluated. The dye degradation and antioxidant activities of hNFs synthesized under optimum conditions were determined. hNFs were not synthesized in the acidic conditions of the PBS buffer (pH 5), The synthesis of hNFs was realized with coordination of Cu+2 and algae extract (0.65, 1, and 1.65 mL) in PBS (pH 7.4 and 9). hNFs with ideal flower morphology (size: 16–19 µm) were obtained by using 1.65 mL of extract under pH 7.4 condition. The basic skeletons (C, O, P, Cu), presence of phosphate crystals (PO4−3) and cristalinity of hNFs were determined by EDX, FT-IR and XRD, respectively. Antioxidant activity of hNFs against DPPH were determined depending on concentration (IC50: 950 µg/ mL). The highest catalytic activities of hNFs against methylene blue and brilliant blue dyes were observed at the mediums of pH 7 (69.81%) and pH 5 (75.7%), respectively. Organic@inorganic hNFs were synthesized by using brown macroalgae D. menziesii depending on extract concentration and medium pH. According to our findings, these hNFs are suitable for using as catalyst and antioxidant agents. [ABSTRACT FROM AUTHOR]

The thioether-functionalized 2-azabutadiene (iPrS)2C=C(H)-N=CPh2 L ligates to CdI2 and HgI2 to form the chelate compounds [CdI2{(iPrS)2C=C(H)-N=CPh2] (1) and [HgI2(iPrS)2C=C(H)-N=CPh2] (2). Their crystal structures were solved via X-ray diffraction. Both crystallize in the non-centrosymmetric space groups: monoclinic P21 (1) and orthorhombic P212121 (2), respectively. The closed-shell d10 metal centers are four-coordinated (two iodides and S and N coordinating atoms from the ligand L) in both complexes. The geometrical indexes τ indicate that a highly distorted trigonal pyramidal is adopted for 1 and a seesaw geometry for 2. The comparative nature of metal–ligand bonds is discussed on the basis of metric parameters and of QT-AIM (quantum theory of atoms in molecules) calculations. L was also treated with CuI to obtain the dinuclear species [LCu(μ2-I2)CuL] (3), in which the two Cu(I) centers are linked by a short metal–metal bond. The geometric and electronic properties of 3 are compared with those of 1 and 2. [ABSTRACT FROM AUTHOR]

A new Cu(II) complex with the monodentate ligand 2,6-dimethylpyrimidin-4-(1 H)-one, [CuCl(C6H8N2O)2H2O]Cl.3H2O, was synthesized and characterized by single crystal X-ray diffraction, elemental analysis, and IR spectroscopy along with detailed theoretical studies based on density functional theory (DFT) at the B3LYP-D3(BJ)/Def2-SVP method. In the structural arrangement of the title compound, the different chemical entities are connected to each other via O–H....O, O–H...Cl, and N–H...O hydrogen bonds to form a three-dimensional network as revealed by the Hirshfeld intramolecular and surface analysis. Infrared spectroscopy analysis confirms the presence of a peak at 2344 cm− 1 which is assigned to N = C stretching vibrations while those at 1670 and 1622 cm− 1 respectively correspond to the C = C asymmetric stretching vibrations. The in-silico investigation of the anti-fibrotic potential of the title compound was carried out molecular docking with the 4FUX and 4FV3 receptors alongside PIRF which is a standard show that the title compound performed better in terms of H-bond interaction as well as binding affinity. Furthermore, the presence of 3 conventional H-bond interactions in the 4FUX-Complex interaction compared to 1 for the 4FV3-PIRF makes it very obvious that the bioactivity of this complex for fibrosis is greater than that of PIRF within the limits of available data as contained in this study. [ABSTRACT FROM AUTHOR]

Reactions of N,N′-bis(3-methylpyridyl)oxalamide (L1), N,N'-bis(3-methylpyridyl)adipoamide (L2) and N,N'-bis(3-methylpyridyl)sebacoamide (L3) with tricarboxylic acids and Cu(II) salts afforded {[Cu(L1)(1,3,5-HBTC)]·H2O}n (1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid), 1, {[Cu1.5(L2)1.5(1,3,5-BTC)(H2O)2]·6.5H2O}n, 2, [Cu(L2)0.5(1,3,5-HBTB)]n (1,3,5-H3BTB = 1,3,5-tri(4-carboxyphenyl)benzene), 3, [Cu4(L3)(OH)2(1,3,5-BTC)2]n, 4, {[Cu3(L3)2(1,3,5-BTB)2]·2.5MeOH·2H2O}n, 5, and {[Cu3(L3)2(1,3,5-BTB)2 ]·DMF·2H2O}n, 6, which have been structurally characterized by using single crystal X-ray crystallography. Complexes 1–4 form a 2D layer with the {44.62}-sql topology, a 2D layer with the (4.62)2(42.62.82)-bex topology, a three-fold interpenetrated 3D net with the (412·63)-pcu topology and a 3D framework with the (410·632·83)(42·6)2(43·63) topology, respectively, whereas 5 and 6 are 3D frameworks with the (63)2(64·82)(68·85·102) topology. Complex 5 shows a better iodine adsorption factor of 290.0 mg g−1 at 60 °C for 360 min than the other ones, revealing that the flexibility of the spacer ligand governs the structural diversity and the adsorption capacity. [ABSTRACT FROM AUTHOR]