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Abstract Dual active sites with synergistic valence state regulation under oxidizing and reducing conditions are essential for catalytic reactions with step-wise mechanisms to modulate the complex adsorption sites of reactant molecules on the surfaces of heterogeneous catalysts with maximized catalytic performances, but it has been rarely explored. In this work, uniformly dispersed CuCo alloy and CoO nanosheet composite catalysts with dual active sites are constructed, which shows huge boost in activity for catalyzing water-gas shift reaction (WGSR), with a record high reaction rate reaching 204.2 μmolCO gcat. −1 s−1 at 300 °C for Cu1Co9Ox amongst the reported Cu-based and Co-based catalysts. A synergistic mechanism is proposed that Coδ+ species can be easily reduced by CO adsorbed on Cu and Co0 can be oxidized by H2O. Systematic in situ characterization results reveal that the addition of Cu can regulate the redox properties of Co species and thus modulate the adsorption properties of catalysts. Particularly, doping of Cu0 sites weakens the affinity of the surface to CO or CO2 to a moderate level. Moreover, it also promotes the oxidation of *CO to *COOH and the desorption of the product CO2, reducing the carbon poisoning of the catalyst and thus increasing the reactivity. The results would provide guidance for the construction of novel heterogeneous catalyst with dual active sites and clarify its underlying reactivity enhancement mechanism induced by the tunning of valence state of metal centers for heterogeneous catalytic reactions.

Although 3VmrMLM-MEJA and several indirect indicators have been employed to identify QTN-by-environment interactions (QEIs) in genome-wide association studies (GWAS), there is no convenient, flexible, and accurate method to comprehensively identify QEIs. To address this issue, 3VmrMLM-random was first extended to 3VmrMLM-fixed. Next, the two single-environment QTN detection methods were integrated with trait differences and regression parameters to indirectly detect QEIs. Finally, these indirect indicators were extended to include environmental factors (EFs, such as temperature) and four environmental variation indicators. As a result, both 3VmrMLM-random and 3VmrMLM-fixed, alongside all the indirect indicators, were incorporated into a new tool, IIIVmrMLM.QEI, designed for effective QEI identification. Simulation studies demonstrated that 3VmrMLM-fixed showed significantly higher powers than existing fixed-SNP-effect methods (MLM and EMMAX) because it takes into account all the possible effects and controls for all the possible polygenic backgrounds. 3VmrMLM-random and 3VmrMLM-fixed exhibited superior combination power to 3VmrMLM-MEJA. In the re-analysis of Arabidopsis flowering time across three temperatures, 3VmrMLM-fixed (12) detected more known gene-by-environment interactions (GEIs) than both MLM (1) and EMMAX (1). Additionally, IIIVmrMLM.QEI (18) detected more known GEIs than 3VmrMLM-MEJA (6), when all indirect indicators were analyzed. All 18 GEIs were confirmed by haplotype analysis and associated with temperature variation in previous studies. Two and five GEIs were identified only by 3VmrMLM-fixed and 3VmrMLM-random, respectively, and 12 GEIs were identified only by indirect indicators, indicating the need to expand models and indirect indicators. This study provides a novel tool (https://github.com/YuanmingZhang65/IIIVmrMLM.QEI) for more comprehensive QEI detection.

Sleep is essential to animals with circadian rhythms. Sleep deprivation causes serious pathophysiological consequences, such as DNA damage and oxidative stress. Pyrroloquinoline quinone (PQQ) is a bioactive food ingredient with antioxidant properties. Here, we used zebrafish continuous swimming paradigm sleep deprivation model to investigate the effect of PQQ on DNA damage. We found that DNA damage and neuronal activity increase following sleep deprivation. PQQ pretreatment reduced DNA damage in the zebrafish dorsal pallium. As an antioxidant, PQQ effectively inhibited reactive oxygen species (ROS) production induced by 2,2′-azobis-2-methyl-propanimidamide dihydrochloride (AAPH) and sleep deprivation, and upregulated the expression of antioxidant genes sod1 and gpx4b. Also, PQQ ameliorated the decreased silent information regulator 1 (SIRT1) expression level, suggesting that PQQ may remove excessive ROS by activating SIRT1, thereby reducing DNA damage within neurons. This study indicates that PQQ has strong antioxidant function, provides ideas for further development of ingredients for sleep recovery.

Abstract Deciphering the three-dimensional atomic structure of solid-solid interfaces in core-shell nanomaterials is the key to understand their catalytical, optical and electronic properties. Here, we probe the three-dimensional atomic structures of palladium-platinum core-shell nanoparticles at the single-atom level using atomic resolution electron tomography. We quantify the rich structural variety of core-shell nanoparticles with heteroepitaxy in 3D at atomic resolution. Instead of forming an atomically-sharp boundary, the core-shell interface is found to be atomically diffuse with an average thickness of 4.2 Å, irrespective of the particle’s morphology or crystallographic texture. The high concentration of Pd in the diffusive interface is highly related to the free Pd atoms dissolved from the Pd seeds, which is confirmed by atomic images of Pd and Pt single atoms and sub-nanometer clusters using cryogenic electron microscopy. These results advance our understanding of core-shell structures at the fundamental level, providing potential strategies into precise nanomaterial manipulation and chemical property regulation.

Abstract As an indigenous breed, the Tibetan chicken is found in highland regions and shows physiological adaptations to high altitude; however, the genetic changes that determine these adaptations remain elusive. We assumed that the microevolution of the Tibetan chicken occurred from lowland to highland regions with a continuous elevation range. In this study, we analyzed the genome of 188 chickens from lowland areas to the high‐altitude regions of the Tibetan plateau with four altitudinal levels. Phylogenetic analysis revealed that Tibetan chickens are significantly different from other altitude chicken populations. Reconstruction of the demographic history showed that the migration and admixture events of the Tibetan chicken occurred at different times. The genome of the Tibetan chicken was also used to analyze positive selection pressure that is associated with high‐altitude adaptation, revealing the well‐known candidate gene that participates in oxygen binding (HBAD), as well as other novel potential genes (e.g., HRG and ANK2) that are related to blood coagulation and cardiovascular efficiency. Our study provides novel insights regarding the evolutionary history and microevolution mechanisms of the high‐altitude adaptation in the Tibetan chicken.

Abstract Background The yield and quality of soybean oil are determined by seed oil-related traits, and metabolites/lipids act as bridges between genes and traits. Although there are many studies on the mode of inheritance of metabolites or traits, studies on multi-dimensional genetic network (MDGN) are limited. Results In this study, six seed oil-related traits, 59 metabolites, and 107 lipids in 398 recombinant inbred lines, along with their candidate genes and miRNAs, were used to construct an MDGN in soybean. Around 175 quantitative trait loci (QTLs), 36 QTL-by-environment interactions, and 302 metabolic QTL clusters, 70 and 181 candidate genes, including 46 and 70 known homologs, were previously reported to be associated with the traits and metabolites, respectively. Gene regulatory networks were constructed using co-expression, protein–protein interaction, and transcription factor binding site and miRNA target predictions between candidate genes and 26 key miRNAs. Using modern statistical methods, 463 metabolite–lipid, 62 trait–metabolite, and 89 trait–lipid associations were found to be significant. Integrating these associations into the above networks, an MDGN was constructed, and 128 sub-networks were extracted. Among these sub-networks, the gene–trait or gene–metabolite relationships in 38 sub-networks were in agreement with previous studies, e.g., oleic acid (trait)–GmSEI–GmDGAT1a–triacylglycerol (16:0/18:2/18:3), gene and metabolite in each of 64 sub-networks were predicted to be in the same pathway, e.g., oleic acid (trait)–GmPHS–d-glucose, and others were new, e.g., triacylglycerol (16:0/18:1/18:2)–GmbZIP123–GmHD-ZIPIII-10–miR166s–oil content. Conclusions This study showed the advantages of MGDN in dissecting the genetic relationships between complex traits and metabolites. Using sub-networks in MGDN, 3D genetic sub-networks including pyruvate/threonine/citric acid revealed genetic relationships between carbohydrates, oil, and protein content, and 4D genetic sub-networks including PLDs revealed the relationships between oil-related traits and phospholipid metabolism likely influenced by the environment. This study will be helpful in soybean quality improvement and molecular biological research.

Abstract The behavior of nickel (Ni) isotopes during magmatic differentiation is not adequately explored. Here, we find that tholeiitic rocks in the Kīlauea Iki (KI) lava lake, Hawai'i, show progressively lighter Ni isotopic compositions with increasing magmatic differentiation, whereas calc‐alkaline rocks from the thick Kamchatka arc (30–45 km), located at the convergent boundary of the Eurasian and Pacific plates show increasing Ni isotope values as MgO and Ni decrease. Forty‐three global intermediate‐felsic continental igneous rocks analyzed in this study display large Ni isotopic variations, with the Eoarchean samples having light Ni isotopic compositions that fall in the trend defined by the KI lavas, and the post‐Eoarchean samples showing systematically heavier Ni isotopic compositions overlapping those of Kamchatka arc rocks. The isotopic dichotomy results from the crystallization of isotopically heavy magnetite during low‐pressure differentiation of KI lavas, whereas the participation of sulfide separation that removes isotopically light Ni during high‐pressure differentiation of magmas traversing thick continental crust. Combined with Rhyolite‐MELTS and sulfur concentration at sulfide saturation simulations, we demonstrate that the Ni isotope fractionation during magmatic differentiation is mainly controlled by the tempo of magnetite crystallization and sulfide formation, which is a function of pressure, oxygen fugacity, and water activity. High‐pressure calc‐alkaline differentiation usually suppresses magnetite crystallization while stabilizing sulfide, leading to heavy Ni isotopic compositions for the evolved magmas, significantly deviating from the low‐pressure fractionation trend seen in the KI lavas. Ni isotopes can be used in the future as a tracer of magmatic differentiation and processes of continent formation and differentiation.

Although grain size is an important quantitative trait affecting rice yield and quality, there are few studies on gene-by-environment interactions (GEIs) in genome-wide association studies, especially, in main crop (MC) and ratoon rice (RR). To address these issues, the phenotypes for grain width (GW), grain length (GL), and thousand grain weight (TGW) of 159 accessions of MC and RR in two environments were used to associate with 2,017,495 SNPs for detecting quantitative trait nucleotides (QTNs) and QTN-by-environment interactions (QEIs) using 3VmrMLM. As a result, 64, 71, 67, 72, 63, and 56 QTNs, and 0, 1, 2, 2, 2, and 1 QEIs were found to be significantly associated with GW in MC (GW-MC), GL-MC, TGW-MC, GW-RR, GL-RR, and TGW-RR, respectively. 3, 4, 7, 2, 2, and 4 genes were found to be truly associated with the above traits, respectively, while 2 genes around the above QEIs were found to be truly associated with GL-RR, and one of the two known genes was differentially expressed under two soil moisture conditions. 10, 7, 1, 8, 4, and 3 candidate genes were found by differential expression and GO annotation analysis to be around the QTNs for the above traits, respectively, in which 6, 3, 1, 2, 0, and 2 candidate genes were found to be significant in haplotype analysis. The gene Os03g0737000 around one QEI for GL-MC was annotated as salt stress related gene and found to be differentially expressed in two cultivars with different grain sizes. Among all the candidate genes around the QTNs in this study, four were key, in which two were reported to be truly associated with seed development, and two (Os02g0626100 for GL-MC and Os02g0538000 for GW-MC) were new. Moreover, 1, 2, and 1 known genes, along with 8 additional candidate genes and 2 candidate GEIs, were found to be around QTNs and QEIs for GW, GL, and TGW, respectively in MC and RR joint analysis, in which 3 additional candidate genes were key and new. Our results provided a solid foundation for genetic improvement and molecular breeding in MC and RR.

Photoreduction of permanent gas faces challenges in reactant diffusion and activation at the three-phase interface. Here the authors showed porous metal-organic framework membranes decorated by metal single atoms can boost the photoreduction of CO2 and O2 at the high-throughput gas-solid interface.

Liver fibrosis is a major global health concern. Management of chronic liver disease is severely restricted in clinics due to ineffective treatment approaches. However, a lack of targeted therapy may aggravate this condition. Asiatic acid (AA), a pentacyclic triterpenoid acid, can effectively protect the liver from hepatic disorders. However, the pharmaceutical application of AA is limited by low oral bioavailability and poor targeting efficiency. This study synthesized a novel liver-targeting material from PEG-SA, chemically linked to ursodeoxycholic acid (UA), and utilized it to modify AA nanostructured lipid carriers (UP-AA-NLC) with enhanced targeting and improved efficacy. The formulation of UP-AA-NLC was optimized via the Box–Behnken Experimental Design (BBD) and characterized by size, zeta potential, TEM, DSC, and XRD. Furthermore, in vitro antifibrotic activity and proliferation of AA and NLCs were assessed in LX-2 cells. The addition of UP-AA-NLC significantly stimulated the TGF-beta1-induced expression of α-SMA, FN1, and Col I α1. In vivo near-infrared fluorescence imaging and distribution trials in rats demonstrated that UP-AA-NLC could significantly improve oral absorption and liver-targeting efficiency. Oral UP-AA-NLC greatly alleviated carbon tetrachloride-induced liver injury and fibrosis in rats in a dosage-dependent manner, as reflected by serum biochemical parameters (AST, ALT, and ALB), histopathological features (H&E and Masson staining), and antioxidant activity parameters (SOD and MDA). Also, treatment with UP-AA-NLC lowered liver hydroxyproline levels, demonstrating a reduction of collagen accumulation in the fibrotic liver. Collectively, optimized UP-AA-NLC has potential application prospects in liver-targeted therapy and holds great promise as a drug delivery system for treating liver diseases.

Theoretical and applied studies demonstrate the difficulty of detecting extremely over-dominant and small-effect genes for quantitative traits via bulked segregant analysis (BSA) in an F2 population. To address this issue, we proposed an integrated strategy for mapping various types of quantitative trait loci (QTLs) for quantitative traits via a combination of BSA and whole-genome sequencing. In this strategy, the numbers of read counts of marker alleles in two extreme pools were used to predict the numbers of read counts of marker genotypes. These observed and predicted numbers were used to construct a new statistic, Gw, for detecting quantitative trait genes (QTGs), and the method was named dQTG-seq1. This method was significantly better than existing BSA methods. If the goal was to identify extremely over-dominant and small-effect genes, another reserved DNA/RNA sample from each extreme phenotype F2 plant was sequenced, and the observed numbers of marker alleles and genotypes were used to calculate Gw to detect QTGs; this method was named dQTG-seq2. In simulated and real rice dataset analyses, dQTG-seq2 could identify many more extremely over-dominant and small-effect genes than BSA and QTL mapping methods. dQTG-seq2 may be extended to other heterogeneous mapping populations. The significance threshold of Gw in this study was determined by permutation experiments. In addition, a handbook for the R software dQTG.seq, which is available at https://cran.r-project.org/web/packages/dQTG.seq/index.html, has been provided in the supplemental materials for the users’ convenience. This study provides a new strategy for identifying all types of QTLs for quantitative traits in an F2 population.

The methodologies and software packages for mapping quantitative trait loci (QTLs) in bi-parental segregation populations are well established. However, it is still difficult to detect small-effect and linked QTLs. To address this issue, we proposed a genome-wide composite interval mapping (GCIM) in bi-parental segregation populations. To popularize this method, we developed an R package. This program with two versions (Graphical User Interface: QTL.gCIMapping.GUI v2.0 and code: QTL.gCIMapping v3.2) can be used to identify QTLs for quantitative traits in recombinant inbred lines, doubled haploid lines, backcross and F2 populations. To save running time, fread function was used to read the dataset, parallel operation was used in parameter estimation, and conditional probability calculation was implemented by C++. Once one input file with *.csv or *.txt formats is uploaded into the package, one or two output files and one figure can be obtained. The input file with the ICIM and win QTL cartographer formats is available as well. Real data analysis for 1000-grain weight in rice showed that the GCIM detects the maximum previously reported QTLs and genes, and has the minimum AIC value in the stepwise regression of all the identified QTLs for this trait; using stepwise regression and empirical Bayesian analyses, there are some false QTLs around the previously reported QTLs and genes from the CIM method. The above software packages on Windows, Mac and Linux can be downloaded from https://cran.r-project.org/web/packages/ or https://bigd.big.ac.cn/biocode/tools/7078/releases/27 in order to identify all kinds of omics QTLs.

The influence of chiral excipient D-chitosan (CS) on the stereoselective release of racemic ketoprofen (rac-KET) microspheres has been investigated in comparison to those microspheres containing individual enantiomers in vitro and in vivo. Stereoselectivity was observed in vitro release test, with R-KET release slightly higher than that of S-KET, especially in 3% rac-KET loading microspheres. Stereoselectivity is dependent on the content of chiral excipient and pH of release medium. A molecular docking study between CS and KET enantiomers further revealed that S-KET has a stronger interaction with CS compared to R-KET. Moreover, the plasma concentration of KET enantiomers in rats shows substantial differences, as the plasma levels of S-KET were higher than those of R-KET. Plasma levels of enantiomers from the R-KET microspheres had similar stereoselectivity as rac-KET microspheres. The S/R ratio of rac-KET microspheres was significantly lower than that of rac-KET suspension (regular-release formulation) (p

Nanoscale supported gold clusters are common redox catalysts but in many cases the nature of the active sites remains unclear. Here, the authors use X-ray absorption to determine the contribution of single gold atoms, clusters and particles on the reactivity of room-temperature carbon monoxide oxidation.

Understanding the genetic function of the forage quality-related traits, including crude protein (CP), neutral detergent fiber (NDF), acid detergent fiber (ADF), hemicellulose (HC), and cellulose (CL) contents, is essential for the identification of forage quality genes and selection of effective molecular markers in sorghum. In this study, we genotyped 245 sorghum accessions by 85,585 single-nucleotide polymorphisms (SNPs) and obtained the phenotypic data from four environments. The SNPs and phenotypic data were applied to multi-locus genome-wide association studies (GWAS) with the mrMLM software. A total of 42 SNPs were identified to be associated with the five forage quality-related traits. Moreover, three and two quantitative trait nucleotides (QTNs) were simultaneously detected among them by three and two multi-locus methods, respectively. One QTN on chromosome 5 was found to be associated simultaneously with CP, NDF, and ADF. Furthermore, 3, 2, 2, 5, and 2 candidate genes were identified to be responsible for CP, NDF, ADF, HC, and CL contents, respectively. These results provided insightful information of the forage quality-related traits and would facilitate the genetic improvement of sorghum forage quality in the future.

The catalytic synthesis of nitrogen-containing heterocycles is of great importance to medicinal and synthetic chemists, and also a challenge for modern chemical methodology. In this paper, we report the synthesis of pyrazolidine derivatives through a domino aza-Michael/hemiacetal sequence with chiral or achiral secondary amines as organocatalysts. Thus, a series of achiral pyrazolidine derivatives were obtained with good yields (up to 90%) and high diastereoselectivities (>20:1) with pyrrolidine as an organocatalyst, and enantioenriched pyrazolidines are also achieved with good results (up to 86% yield, >10/1 regioselectivity, >20:1 dr, 99% ee) in the presence of (S)-diphenylprolinol trimethylsilyl ether catalyst.

In the structure of the title compound, [Cd(C9H7N2O2S)2(C10H8N2)2], the complex molecules are located on a crystallographic twofold rotation axis and the CdII ion is octahedrally coordinated by two chelating 2,2′-bipyridine ligands and two O atoms from the carboxylate groups of two 2-(benzimidazol-2-ylsulfanyl)acetate ligands. The two carboxylate ligands adopt a cis configuration with respect to each other. Within each of these ligands, the imidazole fragments are bent back in a loop towards the acetyl groups, forming intramolecular N—H...O hydrogen bonds, which help to stablilize the mononuclear complex. Adjacent molecules are further linked by weak C—H...O hydrogen bonds, resulting in a chain along the c axis.

The present crystal structure is the second orthorhombic polymorph of the title compound, C14H12N4. Whereas the structure in Pnma with Z′ = 0.5 is already known [Ikemi et al. (2002). Heterocycl. Commun. 8, 439–442], the present structure crystallizes in the space group Pbca with Z′ = 1. The dihedral angle between the two phenyl rings is 23.5 (4)° and the dihedral angles between central ring and the phenyl rings are 41.0 (3) and 26.3 (5)°. In the 4-amino-1,2,4-trizole fragment, the C=N distances are 1.321 (3) and 1.315 (3) Å, which are much shorter than the C—N distances of 1.367 (3) and 1.357 (3) Å. In the crystal, adjacent molecules are linked by N—H...N hydrogen bonds.

The title compound, C39H33N9S3, features a mesitylene unit substituted with three thioether arms. The distances from the center of mesitylene unit to the N atoms of the three pyridine rings in the arms are 10.05 (1), 9.94 (3) and 8.79 (3) Å. The crystal structure shows weak intramolecular C—H...N hydrogen bonds.

In the title compound, [Zn(C7H4FO2)2(C5H6N2)2] or [Zn(fa)2(2-pa)2] (Hfa is 2-fluorobenzoic acid and 2-pa = pyridin-2-amine), the asymmetric unit contains one ZnII cation, two fa ligands and two 2-pa ligands, wherein the ZnII displays a distorted tetrahedral geometry, being surrounded by two monodentate fa ligands with Zn—O distances of 1.962 (2) and 1.976 (3) Å, and by two 2-pa ligands with distances involving pyridyl N atoms of 2.069 (2) and 2.056 (2) Å. The F atoms of the fa ligands are equally disordered over two sites, viz. the 2- and 6-positions of fa. The mononuclear complex molecules are joined by N—H...O and N—H...F hydrogen bonds into a two-dimensional layer, which is further constructed into a three-dimensional supramolecular network by weak C—H...F interactions and effective π–π stacking [centroid-centroid separation of 3.74 (3) Å] between the interlayer aromatic rings and adjacent heterocycles.

The tripodal character of the title compound, C33H30N10S3, arises from the three thioether arms surrounding a central amine N atom. The three arms have approximately the same conformation but distinct geometries in a trans–trans–cis conformation, resulting in a short pyridine–sulfanyl N...S distance of 4.320 (7) Å. The distances of the central N atom to the N atoms of three pyridine rings in the arms are 8.305 (7), 8.032 (7) and 5.076 (9)Å. In the crystal, molecules are joined into a three-dimensional supramolecular network via effective π–π stacking between adjacent heterocycles [centroid–centroid distances of 3.700 (3)–4.118 (4) Å between adjacent interlayer pyrimidine rings and 3.676 (4) Å between the pyridine rings].

The title compound, C10H10N8, resides on a crystallographic symmetry center and features an essentially planar molecule [r.m.s. deviation = 0.278 (1) Å]. In the C=N—N=C fragment, the C=N distance is 1.3017 (18) Å and the N—N distance is 1.403 (2) Å. In the crystal, adjacent molecules are linked by N—H...N hydrogen bonds into a three-dimensional network.

The asymmetric unit of the title compound, [Zn(C12H8N5)2(C2H8N2)]·CH3OH·2H2O, contains a ZnII cation, octahedrally coordinated by two 3-(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazolate anions, a chelating ethane-1,2-diamine molecule, a methanol solvent molecule, and two crystal water molecules. In the crystal packing, complex molecules are linked by hydrogen bonds into a two-dimensional layer.

In title compound, [Cd(C9H6N2O2S)(C12H8N2)]n, the CdII atom is in a distorted tetragonal-pyramidal environment, coordinated by one chelating 1,10-phenanthroline ligand, one chelating 2-(1,3-benzimidazol-2-ylsulfanyl)acetate (bia) ligand bound through one N atom and one O atom of the carboxyl group, and one N atom from a second bia ligand. Each bia ligand acts as bridge between CdII ions, forming one-dimensional coordination polymers along [010], with a shortest Cd...Cd distance of 4.27 (2) Å.

The title compound, C8H6N4O2, is a difunctional compound with a carboxylate and a tetrazole residue. In the crystal structure, molecules are linked into two-dimensional sheets by intermolecular N—H...O and O—H...N hydrogen bonds.

The asymmetric unit of the title compound, [Fe(C9H4O6)(C12H8N2)(H2O)]n, contains one FeII cation, one 5-carboxybenzene-1,3-dicarboxylate dianion (Hbtc), one 1,10-phenanthroline (phen) ligand and one water molecule. The FeII centre displays a distorted octahedral geometry, being surrounded by one phen ligand, two μ2-O atoms of two carboxylate groups from two Hbtc ligands, one O atom from one carboxylate of another Hbtc ligand and one terminal water molecule. One carboxylate group ligates two FeII cations in a μ1,1 mode, while the other carboxylate groups bonds to only one Fe atom. The crystal structure is stabilized by O—H...O hydrogen bonds.

The asymmetric unit of the title compound, 2C4H8N4·3H2O, contains two crystallographically independent 4-amino-3,5-dimethyl-1,2,4-triazole molecules and three water molecules. The structure exhibits N—H...O, O—H...N and O—H...O hydrogen bonds.

The asymmetric unit of the title compound, [Zn(C2H8N2)3]Cl2·H2O, contains a discrete [Zn(C2H8N2)3]2+ cation with a distorted octahedral geometry around Zn, two uncoordinated chloride ions and one water molecule. The crystal structure exhibits N—H...O, N—H...Cl and O—H...O hydrogen bonds.

The title compound, [Zn2Cl4(C12H14N4)2]·2C3H7NO, is located on a centre of inversion with one half of a complex molecule and one dimethylformamide solvent molecule in the asymmetric unit. The ZnII ion is tetrahedrally coordinated by two organic ligands and two chloride ions. Each organic ligand acts as a bidentate ligand, connecting two ZnII ions, resulting in a dimeric [2:2] metallamacrocyclic structure. Adjacent molecules are further linked by N—H...Cl hydrogen bonds and the solvent is linked to the complex by N—H...O hydrogen bonds.

In the title compound, [Zn(C4HN3O4)(H2O)3]n, each ZnII atom adopts a distorted octahedral coordination geometry, being surrounded by one chelating and one monodentate 1H-1,2,4-triazole-3,5-dicarboxylate ligand and three water molecules. Adjacent ZnII cations are linked by a 1H-1,2,4-triazole-3,5-dicarboxylate ligand in a μ2,κ3 fashion to form a chain running along the c axis. The crystal packing is stabilized by N—H...O, O—H...N and O—H...O hydrogen bonds.

Owing to the presence of crystallographic twofold rotation axes (site symmetry 2, Wyckoff letters e and f), the asymmetric unit of the title compound, [Mn(C12H8N5)(CHO2)]n, contains one-half of an MnII cation, one-half of a bpt anion (Hbpt is 3,5-di-2-pyridyl-4H-1,2,4-triazole) and one-half of a formate anion. The bpt and formate ligands occupy the same C2 symmetry, while the MnII ion resides on another crystallographic twofold rotation axis. Each bpt ligand acts as a cis-bis-chelate to ligate two MnII ions into a one-dimensional chain running along the crystallographic 41 screw axis. Adjacent MnII ions are further bridged by a μ2-formate ligand, completing the distorted octahedral coordination geometry of the cation.

The asymmetric unit of the title complex, [Cu2(CN)2(C20H16N6S2)]n, contains one CuI cation, one cyanide ligand and half of a centrosymmetric 1,2-bis[4-(3-pyridyl)pyrimidin-2-ylsulfanyl]ethane (bppe) ligand. The CuI atom displays a trigonal coordination geometry, being surrounded by one C atom from one cyanide anion and two N atoms from one cyanide and one bppe ligand. In the complex, each cyanide anion links two CuI atoms in a bis-monodentate mode into a zigzag [–Cu—CN–]n chain. Two parallel chains are linked by bppe ligands into a ladder chain.