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A two-dimensional (2D) coordination polymer [Co2(OH)(H2O)2(cbca)·2H2O]n (CP 1) (H3cbca: 4′-(1-carboxyethoxy)-[1,1′-biphenyl]-3,5-dicarboxylic acid) with a topological (3,6) connection point structure was synthesized by a hydrothermal method. Single-crystal X-ray analysis revealed that the 2D structure is comprised of tetranuclear cobalt clusters and semi-rigid cbca ligands connected through strong Co–O bonds. It has been found that CP 1 can be used as an effective multiple fluorescent sensor for detecting iron ions, specific nitro compounds, antibiotics and pesticides. Further investigations show that the fluorescence quenching originates from different mechanisms. Among them, the redshift phenomenon generated during the detection of some analytes can also effectively distinguish analytes, which is rarely mentioned in previous studies.

Three couples of coordination polymers (CPs), namely, [Co((R/S)-Hcna)2]n (1-D/L), [Cd6((1R,2R/1S,2S)-cpba)4(phen)6(H2O)3]n (2-D/L) and [Cd2((1R,2R/1S,2S)-Hcpba)2(phen)2]n (3-D/L) {(R/S)-H2cna = (R/S)-6-(1-carboxyethoxy)-2-naphthoic acid, (1R,2R/1S,2S)-H3cpba = (1R,2R/1S,2S)-2,2′-((5-carboxy-1,3-phenylene)bis(oxy))dipropionic acid, phen = 1,10-phenanthroline} are successfully synthesized under hydrothermal conditions. Structural analysis shows that CP 1 has a 3D 3,6-c net structure with a point symbol of (4·62)2(42·610·83). CPs 2 and 3 are obtained under very similar reaction conditions except using different solvent ratios. The presence of the planar chelating ligand phen in CPs 2 and 3 limited the spatial growth of the structure, resulting in the formation of different 1D structures. All CPs crystallized in the chiral space group P21, CPs 1–3 are all SHG active. Their luminescence sensing activities for organics such as antibiotics, pesticides and nitro aromatics are also investigated. The results showed that CP 1 can effectively identify trace amounts of nitrofurans (NFs) and CP 3 has obvious recognition ability toward nitrofurans (NFs) and nitroimidazoles (NMs). Both CPs 1 and 3 could selectively detect 2,6-dichloro-4-nitroaniline (DCN). The luminescence of CPs 1 and 3 can also be quenched by (D/L)-4-nitrophenylalanine ((D/L)-NPA) and (1R,2R/1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol ((1R,2R/1S,2S)-ANPO).

Two new Zn centered coordination polymers (CPs), namely, [Zn(BDA)] (1) and [Zn3(BTA)2(H2O)4] (2) have been synthesized from 4′-hydroxy-[1,1′-biphenyl]-3,5-dicarboxylic acid (H2BDA) and 4-hydroxy-[1,1′-biphenyl]-3,3′,5,5′-tetracarboxylic acid (H3BTA) under solvothermal conditions. Their structures were determined by single crystal X-ray diffraction and further characterized by elemental analysis, IR, TGA and X-ray powder diffraction. CP 1 based on H2BDA is a 3D framework featuring (4,4)-connected net topology with a point symbol of {43.62.8}, while 2 with H3BTA as ligand displays a (2,3)-connected net with a point symbol of {63} and hcb topological type structure. Both CPs 1 and 2 exhibited luminescence identification properties toward nitro aromatic compounds and Fe3+ cation.

A series of two-dimensional layered lanthanide phosphonates, based on 4′-((hydroxy(methoxy)phosphoryl)methyl)-[1,1′-biphenyl]-2-carboxylic acid (H3L′ = HOOC-C6H4-C6H4-CH2-PO(OH)OCH3), Ln(HL)(H2L)(H2O) (H3L = HOOC-C6H4-C6H4-CH2-PO(OH)2), [Ln = La (1), Ce (2), Eu (3), Gd (4), Tb (5), La0.59Eu0.12Tb0.29 (6)] have been obtained by pH-dependent hydrothermal synthesis promoted by ultrasonic. Coordination polymers 1–6 are characterized by single-crystal X-ray diffraction analysis, elemental analysis, infrared spectroscopy, powder X-ray diffraction and thermogravimetry measurements. Their photoluminescence properties are investigated and found that the emission wavelength of 6 could be turned by varying the composition of Ln ions from ligand-centered blue light emission (La3+), to Ln-centered green (Tb3+) and red (Eu3+) light emission, exhibiting white light emission. The magnetic properties of 4 and 5 are also studied.

Toxicity is one of the most important factors limiting the success of new drug development. In this paper, we built a fast and convenient new method (Carrier protein binding information-toxicity relationship, CPBITR) for predicting drug acute toxicity based on the perspective of binding information with carrier protein. First, we studied the binding information between carbamate pesticides and human serum albumin (HSA) through various spectroscopic methods and molecular docking. Then a total of 16 models were established to clarify the relationship between binding information with HSA and drug toxicity. The results showed that the binding information was related to toxicity. Finally we obtained the effective toxicity prediction model for carbamate pesticides. And the “Platform for Predicting Drug Toxicity Based on the Information of Binding with Carrier Protein” was established with the Back-propagation neural network model. We proposed and proved that it was feasible to predict drug toxicity from this new perspective: binding with carrier protein. According to this new perspective, toxicity prediction model of other drugs can also be established. This new method has the advantages of convenience and fast, and can be used to screen out low-toxic drugs quickly in the early stage. It is helpful for drug research and development.

Three novel coordination polymers (CPs), namely, {[Ag2(L)2(Mo4O13)·(CH3CN)]}n (1), {[Zn(L)(1,4-bdc)2·2(1,4-H2bdc)]}n (2), {[Cd(L)(1,4-bdc)0.5]}n (3) have been synthesized under solvothermal conditions by the reaction of bis(4-(4H-1,2,4-triazol-4-yl)phenyl)methane (L) and varied metal salts. Their structures are determined by single X-ray crystal diffraction, and further characterized by elemental analysis, IR, TGA and PXRD. CP 1 with ammonium molybdate as a secondary ligand displays a 2D network with (2,3,3,3,4)-connected net topology and the point symbol of {4·82}6{4·84·10}2{8}, CP 2 and CP 3 with 1,4-H2bdc as a secondary ligand demonstrate 3D structures with different topologies. CP 2 exhibits high sensibility and low detection limit in the recognition of antibiotics (NZF, NFT and FZD) and pesticide (DCN) identification. CP 1 demonstrates good anti-tumor activity toward the tested glioma cells. The possible luminescent sensitivity and anti-tumor mechanisms are also discussed.

Two new zinc phosphonates [Zn(HL1)2·H2O] (1), [Zn(HL2)] (2) [H2L1 = C6H4(CN)-C6H4-CH2-PO(OH)2, H3L2 = C6H4(COOH)-C6H4-CH2-PO(OH)2] have been prepared via hydrothermal reaction. Their structures were first detected by single crystal X-ray diffraction and further characterized by elemental analysis, IR, TGA and X-ray single crystal/powder diffraction. The different functional groups of H2L1 and H3L2 involved in the coordination results in the structural diversity of complexes 1 and 2. Luminescent and metal cations identifying properties of two complexes have also been explored. Complex 1 demonstrated much higher selectivity and sensitivity toward Fe3+ ion than complex 2.

Two new Cd centered coordination polymers (CPs), namely, [Cd3(L)1.5(1,2,4-btc)(H2O)4]·H2O (1) and [Cd4(L)2(1,2,4,5-betc)(H2O)]·H2O (2) have been synthesized by the reaction of 4,4′-di(4H-1,2,4-triazol-4-yl)-1,1′-biphenyl (L), polycarboxylic acids and cadmium nitrate under solvothermal conditions. Their structures were first detected by single crystal X-ray diffraction and further characterized by elemental analysis, IR, TGA and X-ray single crystal/powder diffraction. CP 1 with 1,2,4-H3btc (1,2,4-benzenetricarboxylic acid) as secondary ligand is a 3D framework with (3,4,5)-connected net topology and the point symbol of {4·52·6·7·8}{4·52·62·73·82}{5·6·7}, while 2 with 1,2,4,5-H4betc (1,2,4,5-benzenetetracarboxylic acid) as secondary ligand displays a (4,6)-connected {44·62}{48·67} topological structure. Both CPs 1 and 2 exhibit luminescence properties and the luminescence could be influenced by certain metal cations. The Fe3+ identifying and photo-degradable properties of 1 and 2 were studied.

A pair of lanthanide metal chiral coordination polymers (CCPs) based on (R)- and (S)-5-(1-carboxyethoxy) isophthalic acid (H3CIA), namely, [Ce2((R)-CIA)2(H2O)5]·2H2O (1-D) and [Ce2((S)-CIA)2(H2O)5]·2H2O (1-L), have been synthesized under solvothermal conditions. Their structures were determined by single crystal X-ray diffraction and further characterized by infrared spectra (IR), powder X-ray diffraction (PXRD), circular dichroism spectra (CD) and thermogravimetric (TG) analyses. CCPs 1-D and 1-L crystallized in chiral space groups, displaying a 2D chiral 4,4,6,6-c network with a point symbol of (410·65)(46)2(48·67). Obvious positive or negative cotton effects were found in their CD spectra indicating their homochirality. Moreover, their second harmonic generation efficiency and photoluminescent properties were also investigated.

Three couples of coordination polymers (CPs), namely, [Co((

Hydrothermal reactions of rare earth (Nd, Sm, Eu, and Tb) and l- or d-lactic acid are used to construct four pairs of homochiral metal–organic frameworks (HMOFs) with polymetallic building blocks, namely, {[Nd2(L)2(H2O)3]·4H2O}n (1-r)/(1-s) and {[Ln2(L)2(H2O)2]·4H2O}n {Ln = Sm (2), Eu (3), Tb (4)} (n-r)/(n-s). The eight complexes were characterized by single-crystal X-ray diffraction, infrared spectra, elemental analysis, thermogravimetric analysis, electronic circular dichroism (ECD) spectra, and powder X-ray diffraction measurements. The complexes 1–4 featuring a 3D porous metal–organic framework crystallize in chiral space groups, and their chirality is proven by the solid-state ECD spectra. Moreover, the second-harmonic generation (SHG) investigation reveals that the complexes 1-r, 2-r, 3-r, and 4-r have medium SHG eficiencies. The complexes 2, 3, and 4 exhibit relatively high luminescence properties, which could be ascribed to ligand-centered emission. The luminescence of complex 4-r could be quenche...

Two pairs of Zn-based chiral coordination polymers (CCPs), namely, [Zn((R)-cbca)·H2O], [Zn((S)-cbca)]·H2O], [Zn((R)-cna)·2H2O] and [Zn((S)-cna)·2H2O] {H2cbca = (R) or (S)-4′-(1-carboxyethoxy)-[1,1′-biphenyl]-4-carboxylic acid, H2cna = (R) or (S)-6-(1-carboxyethoxy)-2-naphthoic acid} were synthesized under hydrothermal conditions. Their structures were determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis, infrared spectroscopy, powder X-ray diffraction, circular dichroism (CD) spectroscopy. CCPs 1–4 crystallized in chiral space groups and the CD spectra demonstrate obvious positive or negative Cotton effects. Second-harmonic generation (SHG) measurements show that CCPs 1–4 are SHG active and the SHG efficiencies are 0.6, 0.6, 0.5 and 0.5 times as much as that of urea, respectively. CCPs 1–4 exhibit relatively high luminescence properties originating from ligand centered emission.

Three isomorphic chiral coordination polymers, namely, [M(cpca)·(H2O)]2·H2O (M = Zn (1), Cd (2), and Co (3)), based on a new homochiral dicarboxylic acid ligand, have been synthesized under hydro(solvo)thermal conditions and characterized by single X-ray diffractions, elemental analyses, infrared spectra, thermogravimetric analysis, powder X-ray diffractions, and circular dichroism spectroscopy. The three compounds featured two-dimensional layer structures with one-dimensional pseudo-nanotubes connected together by weak intermolecular interactions, exhibiting a new topological structure with a point symbol of (43·62·8). The influence of ionic radii in tuning the pore size of the coordination polymers is discussed. Furthermore, second harmonic generation (SHG) activity, luminescence and sensing, and asymmetric catalytic properties of all these three chiral coordination polymers have also been studied. All the three complexes show different SHG activities. The luminescence of the complexes could be quenched...

Two coordination polymers [Cu(Hpptz)]·H2O (1) and [Co(Hpptz)(OH)]·H2O (2) [Hpptz = 5-(4-((1H-pyrazol-1-yl)methyl)-phenyl)-5H-tetrazole] were hydrothermally synthesized and characterized by elemental analysis, IR, PXRD and TGA. 1 and 2 are featured similar 22-membered M2L2 rings with close metal pitch and stacking interactions, however, two different 3D supramolecular topological architectures are obtained due to the different coordination modes of the metals. The magnetic and catalytic properties of 2 are also investigated. The results indicate that 2 demonstrates frequency-dependent magnetic behavior and moderate catalytic activity toward Claisen Schmidt reaction of nitrobenzaldehyde and acetone.

Two novel POMOFs, [Cu4(1,3-dtzb)4(SiW12O40)]n (1) and [Cu4(1,4-dtzb)4(SiW12O40)]n (2), based on Keggin-type polyoxometalates have been hydrothermally synthesized by altering organic ligands {1,n-di(4H-1,2,4-triazol-4-yl)benzene: n = 3 (1,3-dtzb) and 4 (1,4-dtzb)}. In POMOF 1 constructed from the V-shaped 1,3-dtzb meta-ligand, the ligands link the Cu(I) ions to form a 20-member metallomacrocycle with [Cu2(1,3-dtzb)2] as the SBU, four of which assemble into a cage-like [Cu2(1,3-dtzb)2]4 motif to embed the POM anion, resulting in a 3D POMOF showing a new type of topological structure with a point symbol of {4·53·72}{52·8}. However, when the ligand is changed to the 1,4-dtzb straight para-ligand, POMOF 2 with a different structure is achieved. The ligands link the Cu(I) ions into a basic 3,3-connected net, and then the POM anions insert into the space between two adjacent nets to form a POM-pillared double-layer framework. The large cavities of the POM-pillared double layers allow the occurrence of an interpenetrated 2D→3D framework. The cyclic voltammetric behavior and photocatalytic properties of POMOFs 1 and 2 were also investigated.

To investigate the coordination nature of the pyridyl-N-oxide phosphonate ligands with rare earth metals, two series of nine lanthanide complexes, namely, {[Ln(HL)((C2O4)0.5)2(H2O)]·3H2O}n {Ln = Eu(1), Gd(2), Tb(3), Dy(4) and Ho(5)} and {[Ln2(L)(C2O4)2(H2O)3]·H2O}n {Ln = Er(6), Tm(7), Yb(8) and Lu(9)} {H2L = 2-(pyridyl-N-oxide)methylphosphonic acid; H2C2O4 = oxalic acid }, have been hydrothermally synthesized and characterized by IR spectroscopy, thermogravimetric analysis, and powder and single-crystal X-ray diffraction. Complexes 1–5 are isomorphic, featuring a three-dimensional (3D) porous structure with a dia topological framework, while the isomorphic complexes 6–9 show a 3D 3,4-connected topological framework with a point symbol of {72·8}2{73·83}. Photoluminescence spectra of complexes 1 and 3 exhibit the strong luminescence characteristic of Eu(III) and Tb(III) ions, respectively, suggesting that HL− and L2− anions are able to efficiently sensitize the luminescence of lanthanide ions. The magnetic analyses of complexes 2–5 show the characteristic magnetic susceptibilities of isolated Gd(III), Tb(III), Dy(III) and Ho(III) ions, respectively.

Cuprous iodide (CuI)-based coordination compounds with the general chemical formula of CuI(L) are well-known for their structural diversity and strong photoluminescence and are therefore considered as promising candidates for a number of optical applications. Reported here are two cuprous iodide coordination polymers (CPs), {[Cu3I2TBA]·H2O}n (1) and {[Cu2I(HTBA)TBA]·2H2O}n (2) (HTBA = 4-(4H-1,2,4-triazol-4-yl)benzoic acid). Structures of CPs 1 and 2 are determined by single crystal X-ray diffraction and further characterized by infrared spectra (IR), elemental analyses, powder X-ray diffraction (PXRD), and thermogravimetric (TG) analyses. CPs 1 and 2 with a significant feature of novel cationic [(CuxIy)x−y]n motifs are synthesized under controlled reaction conditions via adopting HTBA as ligand. CP 1 displays a 3,6-connected net, while CP 2 shows a coordination chain. Further, the catalytic properties of CPs 1 and 2 are investigated in the degradation of methyl blue.

Reactions of 5-(4-nitrophenyl)-1H-tetrazole (H(4-nptz)) and 5-(4-nitrobenzyl)-1H-tetrazole (H(4-nbtz)) with transition metals under solvothermal conditions yield two new coordination polymers, namely, [CuI(4-nptz)(CH3CN)]n (1) and [Zn(4-nbtz)2]n (2). Both of them were characterized by IR, thermogravimetric analysis, X-ray crystallography. Single crystal X-ray diffraction analysis reveals that 1 is of three-dimensional (3D) sqc184 type supramolecular framework, while 2 is of 3D sqc1 type supramolecular framework. In addition, solid state UV–Vis diffuse reflectance and photoluminescence properties of 1 and 2 are investigated. Furthermore, the catalytic properties for the coupling reaction of α-amino acids and bromobenzene were also investigated.

Six pyrimidine derivatives based coordination complexes, namely, [Co(mpd)2(H2O)4]·2H2O (1), [Ni(mpd)2(H2O)4]·2H2O (2), [Co(hta)(H2O)3]·H2O (3), [Ni(hta)(H2O)3]·H2O (4), [Cu(Hhta)2(H2O)2]·3H2O (5) and [Zn(hta)(bpy)2]·2H2O (6) (Hmpd = 7-methylimidazo[1,2-a]- pyrimidine-2,5(1H,3H)-dione; H2hta = 2-(4-hydroxy-6-methylpyrimidin-2-ylthio) acetic acid; bpy = 4,4′-bipyridine) have been synthesized and characterized by elemental analysis, IR spectroscopy, PXRD, thermogravimetric analyses and X-ray crystallography. In the packing structures of the complexes, the hydrogen bonds (H-bonds) play important roles. The isomorphic complexes 1 and 2 show 3D tfz-d topology based on twelve H-bonds. Complex 3 and 4 are also isomorphic, exhibiting an unreported H-bonding 3D topology with 8H-bonds in the packing structure respectively. Complex 5 with fourteen H-bonds presents a H-bonding 3D new topology. {(H2O)4O2} H-bonding clusters in complex 6 link the coordination chains into a H-bonding 3D rtw topology. In addition, the catalytic properties of complex 1–6 are investigated. Compared with the other complexes, complex 5 exhibits the best catalytic performance in the decolorization of methyl blue (MB) and the oxidation of benzyl alcohol to benzaldehyde. Meanwhile, complex 5 also shows antitumor activity against HepG2 cells growth with an inhibition rate of 50.1%.

A new complex namely, [(Mo2O6)L]·CH3OH·3H2O (1), based on oxomolybdate and 3,5-di(4H-1,2,4-triazol-4-yl)benzoic acid (L) was synthesized under hydrothermal condition, which shows a new three-dimensional supramolecular framework with unreported topological structure. In addition, the luminescent and electrochemical behaviors of complex 1 were investigated.

For image analysis in computer, the traditional approach is extracting and transcoding features after image segmentation. However, in this paper, we present a different way to analyze image. We adopt spatial logic technology to establish a reasoning system with corresponding semantic model, and prove its soundness and completeness, and then realize the image analysis in formal way. And it can be applied in artificial intelligence. This is a new attempt and also a challenging approach.