Syntheses,crystal structures,and quantum chemistry calculation of two Ni(Ⅱ)coordination polymers

Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.

Systematic Review of Community Type 2 Diabetes Structured Health Education (CT2DSHE)

Aim: This paper aims to evaluate disparities of type 2 diabetes structured health education programmes that is utilised within the communities. Design: systematic review, (a type of secondary research design) aiming to summarize the results of prior primary research studies on available evidence Community type 2 diabetes structured education (CT2DSHE). Methods: Research question: Type 2 diabetic structured health education within a community how effective is it? Qualitative Systematic review, defined as a way to get reliable and objective picture of current available evidence on the specific topic—(CT2DSHE), (Denscombe, 2021) through reflexivity synthesis of available data as an example. This is valuable in time constraints such as project assignments that must be met within specific time and also to bring together available evidence together [1]. Results: This review has shown that CT2DSHE is effective with seven out of the eleven authors supporting, three authors against and one was neutral, further showed that knowledge and skills acquired can last longer with patient activation improved among T2DM patients ideal for sustaining their self-management of T2DM. Conclusion: This research provides suggestive answers to the research question: “Type 2 diabetic structured health education within a community how effective is it?”, This has demonstrated CT2DSHE effectiveness in knowledge acquisition and improving T2DM awareness among T2DM patients, whilst evidencing long effects beyond the study times of 3 - 9 months period in relation to patient activation. Also Identified diabetes education self-management on newly diagnosed (DESMOND) patient as CT2DSHE program for recommendation. Patient or Public Contribution: This work aspires to contribute to CT2DSHE in these areas;Influencing policy decision-making for community diabetes care within the UK and world at large., Contributing to already vast knowledge on diabetes self-management and reasons why?, Influencing educators on how CT2DSHEP are designed, delivered by putting the patient at the Centre and bringing different perspectives on CT2DSHEP in one place that is serving users time of having to consult several resources especially busy clinicians [2] [3].

Crystal Structure of a Cadmium(Ⅱ) Complex Containing an Amide Type Ligand

The compound [Cd（L）2（NO3）]NO3·0.5H2O （L = N-benzyl-2-（quinolin-8-yloxy）aceta- mide） 1 has been synthesized and structurally determined by single-crystal X-ray diffraction, elemental analysis, IR and UV spectroscopy. The crystal belongs to the triclinic system, space group P1 with a = 11.7175（13）, b = 11.8873（13）, c = 14.0958（16） A, α = 74.889（2）, β= 78.228（2）, γ = 78.831（2）°, V= 1835.0（4） A3, Z= 1, Dc= 1.502 Mg/m3, Mr = 1660.17,μ = 0.662 mm-1, F（000） = 846, 2（MoKa） = 0.71073 A, the final R = 0.0585 and wR = 0.0577 for all observed reflections. The results show that the Cd（II） ion with a square antiprismatic geometry is coordinated by a N206 donor set, two NO2 sets from two ligands and two O atoms from a bidendate nitrate group. In the crystal, the O-H...O and N-H...O hydrogen bonds are helpful to consolidate the three- dimensional network.

Experimental method to explore the adaptation degree of type-Ⅱand all-solid-state Z-scheme heterojunction structures in the same degradation system

TiO2 nanoparticles were prepared using the hydrothermal method and modified with CgN to syn-thesize a Type-Ⅱheterojunction semiconductor photocatalyst,TiO2-C;Na.In addition,a carbon layerwas coated onto the TiO2 nanoparticles and the obtained material was uniformly covered on thesurface of CaNa to form an all-solid-state Z-scheme semiconductor photocatalyst,TiO2-C-C3N4,Through characterization by XRD,XPS,SEM,TEM,BET,photoelectrochemical experiments,UV-visible diffuse reflection,and PL spectroscopy,the charge transfer mechanism and band gappositions for the composite photocatalysts were analyzed.The Type-Ⅱand all-solid-state Z-schemeheterojunction structures were compared.By combining microscopic internal mechanisms withmacroscopic experimental phenomena,the relationship between performance and structure wasverified.Experimental methods were used to explore the adaptation degree of different photocata-lytic mechanisms using the same degradation system.This study highlights effective photocatalystdesign to meet the requirements for specific degradation conditions.

Type-Ⅱ Core/Shell Nanowire Heterostructures and Their Photovoltaic Applications

Nanowire-based photovoltaic devices have the advantages over planar devices in light absorption and charge transport and collection.Recently,a new strategy relying on type-Ⅱ band alignment has been proposed to facilitate efficient charge separation in core/shell nanowire solar cells.This paper reviews the type-Ⅱ heterojunction solar cells based on core/shell nanowire arrays,and specifically focuses on the progress of theoretical design and fabrication of type-Ⅱ Zn O/Zn Se core/shell nanowire-based solar cells.A strong photoresponse associated with the type-Ⅱ interfacial transition exhibits a threshold of 1.6 e V,which demonstrates the feasibility and great potential for exploring all-inorganic versions of type-Ⅱ heterojunction solar cells using wide bandgap semiconductors.Future prospects in this area are also outlooked.

Band Structure and Optical Gain of InGaAs/GaAsBi Type-Ⅱ Quantum Wells Modeled by the k·p Model

Optical gains of type-Ⅱ In Ga As/Ga As Bi quantum wells（QWs） with W, N, and M shapes are analyzed theoretically for near-infrared laser applications. The bandgap and wave functions are calculated using the self-consistent k·p Hamiltonian, taking into account valence band mixing and the strain effect. Our calculations show that the M-shaped type-Ⅱ QWs are a promising structure for making 1.3 um lasers at room temperature because they can easily be used to obtain 1.3 um for photoluminescence with a proper thickness and have large wave-function overlap for high optical gain.

Type Synthesis of 1T2R Parallel Mechanisms Using Structure Coupling-Reducing Method

Direct kinematics with analytic solutions is critical to the real-time control of parallel mechanisms.Therefore,the type synthesis of a mechanism having explicit form of forward kinematics has become a topic of interest.Based on this purpose,this paper deals with the type synthesis of 1T2R parallel mechanisms by investigating the topological structure coupling-reducing of the 3UPS&UP parallel mechanism.With the aid of the theory of mechanism topology,the analysis of the topological characteristics of the 3UPS&UP parallel mechanism is presented,which shows that there are highly coupled motions and constraints amongst the limbs of the mechanism.Three methods for structure coupling-reducing of the 3UPS&UP parallel mechanism are proposed,resulting in eight new types of 1T2R parallel mechanisms with one or zero coupling degree.One obtained parallel mechanism is taken as an example to demonstrate that a mechanism with zero coupling degree has an explicit form for forward kinematics.The process of type synthesis is in the order of permutation and combination;therefore,there are no omissions.This method is also appli cable to other configurations,and novel topological structures having simple forward kinematics can be obtained from an original mechanism via this method.

Effect of Different Vegetation Types on the Rhizosphere Soil Microbial Community Structure in the Loess Plateau of China

The Loess Plateau in China is one of the most eroded areas in the world. Accordingly, vegetation restoration has been implemented in this area over the past two decades to remedy the soil degradation problem. Understanding the microbial community structure is essential for the sustainability of ecosystems and for the reclamation of degraded arable land. This study aimed to determine the effect of different vegetation types on microbial processes and community structure in rhizosphere soils in the Loess Plateau. The six vegetation types were as follows：two natural grassland （Artemisia capillaries and Heteropappus altaicus）, two artificial grassland （Astragalus adsurgens and Panicum virgatum）, and two artificial shrubland （Caragana korshinskii and Hippophae rhamnoides） species. The microbial community structure and functional diversity were examined by analyzing the phospholipid fatty acids （PLFAs） and community-level physiological profiles. The results showed that rhizosphere soil sampled from the H. altaicus and A. capillaries plots had the highest values of microbial biomass C, average well color development of carbon resources, Gram-negative （G-） bacterial PLFA, bacterial PLFA, total PLFA, Shannon richness, and Shannon evenness, as well as the lowest metabolic quotient. Soil sampled from the H. rhamnoides plots had the highest metabolic quotient and Gram-positive （G＋） bacterial PLFA, and soil sampled from the A. adsurgens and A. capillaries plots had the highest fungal PLFA and fungal：bacterial PLFA ratio. Correlation analysis indicated a signiifcant positive relationship among the microbial biomass C, G- bacterial PLFA, bacterial PLFA, and total PLFA. In conclusion, plant species under arid climatic conditions signiifcantly affected the microbial community structure in rhizosphere soil. Among the studied plants, natural grassland species generated the most favorable microbial conditions.

Synthesis, Structure and Luminescent Property of a 2D Cd(Ⅱ) Coordination Polymer Based on Mixed-ligands of 1,3-Bis(imidazol)propane and Pyridine-3,5-dicarboxylic Acid

A new Cd（Ⅱ） coordination polymer, namely, [Cd（1,3-bip）（3,5-pdc）]n （1,3-bip = 1,3-bis（imidazol）propane and 3,5-pdc = pyridine-3,5-dicarboxylic acid） has been synthesized under hydrothermal conditions. Compound 1 was characterized by infrared spectrum, elemental analysis, powder X-ray diffraction （PXRD） and single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/c with a = 1.40178（7）, b = 1.72502（12）, c = 1.41635（6） ran, β = 92.653（4）°, V = 3.4212（3） nm3, Z = 4, C16HIsCdNsO4, Mr = 453.73, Dc = 1.762 g/cm3, F（000） = 1808,μ = 1.310 mm1, R = 0.0899 and wR = 0.1945. In compound 1, each 3,5-pdc ligand links three Cd（lI） ions and each Cd（Ⅱ） attaches to bip ligands to form a complicated 2D double-layer structure. In addition, the thermal stability and luminescent property of 1 have been studied in the solid state at room temperature.

Synthesis, Crystal Structure and Fluorescent Property of a New One-dimensional Cadmium(Ⅱ) Coordination Polymer Based on 3,4-Thiophenedicarboxylic Acid and 1,10-Phenanthroline

A new cadmium（Ⅱ） polymer [Cd（tdc）（Phen）]n 1 （H2tdc = thiophene-3,4-dicar-boxylic acid, Phen = 1,10-phenanthroline） was synthesized under hydrothermal conditions. The compound crystallizes in the triclinic system, space group P , with a = 7.3150（10）, b = 10.3598（14）, c = 10.8784（15） , α = 82.2740（10）, β = 72.9730（10）, γ = 80.236（2）°, V = 773.68（18） 3, Z = 2, Mr = 462.74, Dc = 1.986 Mg/m3, μ = 1.58 mm-1, F（000） = 456, the final R = 0.0218 and wR = 0.0465 for 3361 observed reflections with Ⅰ 〉 2σ（Ⅰ）. The compound presents a one-dimensional （1-D） double-stranded structure and exhibits fluorescent emission at room temperature. Furthermore, infrared spectroscopy, elemental analyses, thermogravimetric analysis and powder X-ray diffraction properties of the compound are also investigated.

Synthesis and Structure of a Two-dimensional Double Chain Iron(Ⅱ) L-Trp Coordination Polymer [Fe(L-trp)_2(HL-trp)_2]_n

The title complex [Fe（L-trp）2（HL-trp）2]n （L-trp = L-tryptohan or 2-amino-3-（1H -indol-3-yl）-propanoic acid） has been formed by a hydrothermal method involving hexaaquacobaltous perchlorate and L-tryptophan. The product was characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P211c, with a = 19.828（3）, b = 5.4233（14）, c = 9.2796（16） A, β= 97.691（2）°, V = 988.9（3） A3, Z = 2, Mr = 462.29, Dx = 1.553 g/cm3, F（000） = 480,/a = 0.802 mm^-1, the final R = 0.0399 and wR = 0.0930 for 1738 observed reflections with I 〉 2σ（/）. The structural analysis shows that the complex assumes a two-dimensional double chain plane structure.

Synthesis,Crystal Structure and Properties of a Nanotubular Metal-organic Framework(MOFs) Based on Cu(Ⅱ) Oxide Chains and Benzenedicarboxylates

A new cooper benzenedicarboxylate metal-organic coordination polymer,[Cu（μH2O）（BDC）]n·nDMF（1,H2BDC = 1,4-benzenedicarboxylate acid,DMF = N,N＇-dimethylfor-mamide）,has been successfully synthesized under hydrothermal conditions and characterized by IR spectroscopy,elemental analysis,thermogravimetric analysis and single-crystal X-ray diffraction.This complex crystallizes in triclinic,space group P1 with a = 6.605,b = 10.44780（10）,c = 11.0881（6） ,α = 62.064（11）,β = 73.410（15）,γ = 78.404（16）°,C11H13CuNO6,Mr = 318.76,V = 645.79（8） 3,Z = 2,Dc = 1.639 g/cm3,F（000） = 326,μ = 1.712 mm-1,the final R = 0.0362 and wR = 0.1330 for 2055 observed reflections with I 〉 2σ（I）.The title compound contains infinite inorganic chains constructed by Cu oxygen octahedra by sharing corners and edges.Each chain is connected by BDC linkers to four other chains to form a three-dimensional framework with irregular rhombic channels where the DMF molecules are encapsulated.

Effects of rapid quenching on structure and cycle stability of La-Mg-Ni-Co type hydrogen storage alloy

In order to improve the cycle stability of La-Mg-Ni-Co type alloy electrode, rapid quenching technology was employed. The effects of rapid quenching on the microstructure and cycle stability of the alloy were investigated. The obtained results show that the La2Mg(Ni0.85Co0.15)9M0.1 (M=B, Cr) alloy electrodes are composed of (La, Mg)Ni3 phase, LaNi5 phase and a small amount of the LaNi2 phase. A trace of the Ni2B phase exists in the as-cast MB alloy, and the Ni2B phase in the alloy nearly disappears after rapid quenching. Rapid quenching technology can slightly improve the cycling life of the alloy. When the quenching rate increases from 0 m·s-1 (As-cast is defined as quenching rate of 0 m·s-1) to 30 m·s-1, the cycle lives of the MB, MCr alloys enhance from 86 and 87 cycles to 106 and 119 cycles, respectively. On the other hand, the average capacity decay rates of the MB, MCr alloys decrease from 1.7172 and 1.7178 mAh·g-1·cycle-1 to 1.5751 and 1.3060 mAh·g-1·cycle-1 after 86 charge-discharges cycling, respectively.

Hydrothermal Synthesis,Crystal Structure and Thermal Stability of a Binuclear Copper(Ⅱ) Complex with 3-(Pyridin-2-yl)-1,2,4-triazole

One novel binuclear copper（Ⅱ） complex [Cu 2 （Hpt） 2 （CO 3） 2 （H 2 O） 2 ]·H 2 O with copper carbonate and 3-（pyridin-2-yl）-1,2,4-triazole （Hpt） was hydrothermally synthesized and characterized by IR and X-ray diffraction analysis.The complex crystallizes in triclinic,space group P2 1 /n with a=0.6862（1）,b=0.7805（1）,c=1.1983（2） nm,α=72.03（2）,β=107.72（3）,γ=75.28（2）o,V=0.5884 nm 3,D c=2.105 g/cm 3,Z=1,F（000）=357,GOOF=1.041,the final R=0.01859 and wR=0.04348.The whole molecule is composed of two cooper ions,two Hpt molecules,two carbonate and three water molecules,forming a binuclear structure.The crystal structure shows that the cooper ion is coordinated with three nitrogen atoms from two Hpt molecules,two oxygen atoms from one carbonic acid and one water molecule,forming a distorted square pyramidal geometry.The TG analysis result shows that the title complex is stable under 131.0 ℃.

Synthesis,Crystal Structure and Theoretical Calculations of a Nickel(Ⅱ) Coordination Polymer Assembled by 4,4'-Oxydibenzoic Acid and 1,3-Bis(imidazol-1-ylmethyl)-benzene Ligands

A new metal-organic coordination polymer [Ni（oba）（mbix）（H2O）]n·n H2O（H2oba = 4,4‘-oxydibenzoic acid,mbix = 1,3-bis（imidazol-1-ylmethyl）-benzene） 1 has been hydrothermally synthesized and structurally characterized by elemental analysis,IR,TG,UV and single-crystal X-ray diffraction.Green crystals crystallize in the triclinic system,space group P1 with a = 10.1915（18）,b = 11.415（2）,c = 12.314（2）A,α = 74.263（3）,β = 84.545（2）,γ = 74.369（3）o,V = 1327.6（4） A,C28H26N4 Ni O7,Mr = 589.24,Dc = 1.474 g/cm3,F（000） = 612,Z = 2,μ（Mo Kα） = 0.786 mm-1,the final R = 0.0332 and w R = 0.0869 for 4622 observed reflections（I 〉 2σ（I））.The structure of 1 exhibits a one-dimensional chain-like structure.In addition,natural bond orbital（NBO） analysis was performed by the PBE0/LANL2 DZ method in Gaussian 03 Program.The calculation results show obvious covalent interaction between the coordinated atoms and Ni（Ⅱ） ion.

Urothermal Synthesis and Crystal Structure of a Zn(Ⅱ) Coordination Polymer with a 3-D Supramolecular Structure

A new metal-organic coordination polymer [Zn（hfipbb）（e-urea）]n（1,H2hfipbb = 4,4＇-（hexafluoroisopropylidene）bis（benzoic acid）,e-urea = ethylene urea） has been urothermally synthesized and characterized by elemental analysis and single-crystal X-ray diffraction.The title complex crystallizes in monoclinic,space group P21/c with a = 13.302（4）,b = 10.981（3）,c = 13.804（4） ,β = 93.587（5）°,V = 2012.3（10） 3,C20H14N2O5F6Zn,Mr = 541.72,Z = 4,Dc = 0.447 g/cm3, = 0.328 mm-1,F（000） = 272,R = 0.0340 and wR = 0.1107 for 4528 observed reflections（I 〉2σ（I））.In the structure of compound 1,two Zn（Ⅱ） ions are bridged by two carboxylate groups from two hfipbb ligands to form a dinuclear unit,and each dinuclear Zn（Ⅱ） unit is linked with its two adjacent dinuclear units through four hfipbb ligands into an infinite one-dimensional double-chain.The interesting structural feature of compound 1 is that the one-D double-chains are self-interconnected into a three-D supramolecular structure through hydrogen bonds between the coordinated e-urea molecules and carboxylate oxygen atoms（N1 and O2,N2 and O4）.

Hydrothermal Synthesis, Crystal Structure and Luminescence Property of a 2D Manganese(Ⅱ) Coordination Polymer

Solvothermal reactions of MnCl_2·4H_2O with(pyridin-2-yl)methyl 4-(2-(4-((pyridin-2-yl)methoxy)phenyl)diazenyl)benzoate(L1) via an in situ ligand transformation reaction produced a new coordination polymer, {[Mn_(2.5)Cl_3L_2(H_2O)]·H_2O}_n(1, where HL = 4-(2-(4-((pyridin-2-yl)methoxy)phenyl)diazenyl)benzoic acid). The L1 ligand was decomposed in situ to L^- which was coordinated with Mn(Ⅱ) to form compound 1 in the solvothermal synthesis process. Complex 1 was characterized by IR spectroscopy, powder X-ray diffraction and single-crystal X-ray diffraction.Compound 1 possesses a 2D network. In addition, stability and photoluminescent property of 1 were also investigated.

Tree species diversity and stand structure along major community types in lowland primary and secondary moist deciduous forests in Tripura,Northeast India

Tree species diversity and population structure at different community types were described and analyzed for primary and secondary lowland moist deciduous forests in Tripura. Overall 10,957 individual trees belonging to 46 family, 103 genera and 144 species were counted at ≥30 cm DBH （diameter at breast height） using 28 permanent belt transects with a size of 1 ha （10 m × 1000 m）. Four different tree communities were identified. The primary forests was dominated by Shorea robusta （mean density 464.77 trees.ha^-1, 105 species） and Schima wallichii （336.25 trees.ha^-1, 82 species）, while the secondary forests was dominated by Tectona grandis （333.88 trees.ha^-1, 105 species） and Hevea brasiliensis （299.67 trees.ha^-1, 82 species）. Overall mean basal area in this study was 18.01m2.ha^-1; the maximum value was recorded in primary Shorea forest （26.21 m2.ha^-1）. Mean density and diversity indices were differed significantly within four different communities. No significant differences were observed in number of species, genera, family and tree basal cover area. Significant relationships were found between the species richness and different tree population groups across the communities. Results revealed that species diversity and density were increased in those forests due to past disturbances which resulted in slow accumu- lation of native oligarchic small tree species. Seventeen species were recorded with 〈2 individuals of which Saraca asoka （Roxb.） de Wilde and Entada phaseoloides （L.） Men＇. etc. extensively used in local ethnomedicinal formulations. The present S. robusta Gaertn dominated forest was recorded richer （105 species） than other reported studies. Moraceae was found more speciose family instead of Papilionaceae and Euphorbiaceae than other Indian moist deciduous forests. Seasonal phenological gap in such moist deciduous forests influenced the population of Trachypithecus pileatus and capped langur. The analysis of FIV suggested a slow trend of shifting the population of Lamiaceae group by Moraceae species in secondary T. grandis L. dominated community.

Synthesis, Crystal Structure and Antitumor Activity in Vitro of a New Benzoate Binuclear Cupper(Ⅱ ) Complex

The title compound, [Cu2（C7H5O2）4（C2H6O）2], was synthesized by the reaction of benzoic acid, copper acetate and ethanol in an aqueous solution. Trypan blue dye exclusion method was used in experiment. X-ray single-crystal analysis has revealed that compound 1 （C32H32Cu2O10） crystallizes in the monoclinic system, space group C2/c, Mr = 703.66, a = 47.340（5）, b = 6.6613（4）, c = 22.028（2）A,β = 113.284（4）°, V = 6380.6（10） A^3, Z = 8, Dc= 1.465 g/cm^3, F（000） = 2896,μ = 1.388 mm^-11, the final R = 0.0515 and wR = 0.1172 for 5712 observed reflections with I 〉 2σ（I）. X-ray crystal structure analysis suggests that compound [CH2（C7H5O2）4（C2H6O）2] has a binuclear structure with two Cu（II） atoms coordinated by four benzoate groups and two ethanol molecules. The crystal packing is stabilized by intermolecular O-H...O hydrogen bonds. The compound inhibits the proliferation of K562 cells （chronic myeloid leukemic cells） significantly and dose-dependently in 48 h, and IC50 of K562 is 17.3μg/mL by trypan blue dye exclusion method.

Plant Type and Its Effects on Canopy Structure at Heading Stage in Various Ecological Areas for a Two-line Hybrid Rice Combination,Liangyoupeijiu

A two-line hybrid rice combination, Liangyoupeijiu, was used to estimate several factors of plant type, and environmental models for these factors at the heading stage were established using the data of eight ecological experimental sites in 2006 and 2007. According to climatic data from 1951 to 2005, the differences in those factors and their effects on plant canopy were analyzed for four rice cropping areas in China, including South China, the middle-lower reaches of the Yangtze River, Sichuan Basin, and river valley in Yunnan, China. The thickness of leaf layer （the distance from pulvinus of the third leaf from the top to the tip of flag leaf） and distribution of leaf area could be used as candidate indices for the plant type of a rice canopy.