Syntheses and Crystal Structures of 3-Chloro-N'-(3,5-dichloro-2-hydroxybenzylidene)-benzohydrazide and Its Oxovanadium(V) Complex with Antimicrobial Activity

A hydrazone compound 3-chloro-N＇-（3,5-dichloro-2-hydroxybenzylidene）benzo-hydrazide（H2L） derived from the condensation of 3,5-dichlorosalicylaldehyde with 3-chloro-benzohydrazide and its oxovanadium（V） complex [VOL（CH3OH）（OCH3）] have been successfully prepared and characterized by physico-chemical methods and single-crystal X-ray diffraction.The hydrazone ligand coordinates to the V atom through the phenolate O,imine N,and enolic O atoms.The V atom is hexa-coordinated in a distorted octahedral geometry.The antimicrobial activities（MIC） of the hydrazone ligand and the oxovanadium（V） complex have been evaluated against the bacteria Staphylococcus aureus,Baccilus subtilis,Pseudomonas aeruginosa,and Escherichia coli.

Novel Sum-of-Sinusoids Simulation Channel Modeling for 6G Multiple-Input Multiple-Output Vehicle-to-Everything Communications

In this paper,a statistical cluster-based simulation channel model with a finite number of sinusoids is proposed for depicting the multiple-input multiple-output(MIMO)communications in vehicleto-everything(V2X)environments.In the proposed sum-of-sinusoids(SoS)channel model,the waves that emerge from the transmitter undergo line-of-sight(LoS)and non-line-of-sight(NLoS)propagation to the receiver,which makes the model suitable for describing numerous V2X wireless communication scenarios for sixth-generation(6G).We derive expressions for the real and imaginary parts of the complex channel impulse response(CIR),which characterize the physical propagation characteristics of V2X wireless channels.The statistical properties of the real and imaginary parts of the complex CIRs,i.e.,autocorrelation functions(ACFs),Doppler power spectral densities(PSDs),cross-correlation functions(CCFs),and variances of ACFs and CCFs,are derived and discussed.Simulation results are generated and match those predicted by the underlying theory,demonstrating the accuracy of our derivation and analysis.The proposed framework and underlying theory arise as an efficient tool to investigate the statistical properties of 6G MIMO V2X communication systems.

Photocleavage Properties and DNA-Binding Studies of Oxovanadium Complexes Incorporating 2-(2-Hydroxybenzylideneamino) Isoindoline-1,3-Dione and Fluoro-Phenanthroline Derivatives

Three mononuclear oxovanadium complexes [VO(Hbid)(CF3PIP)] (1) (Hbid=(E)-2-(2-hydroxybenzylideneamino) isoindoline-1,3-dione, CF3PIP=2-(2-trifluoromethyl phenyl)imidazole[4,5-f][1,10] phenanthroline), [VO(Hbid)(m-CF3PIP)];(2) (m-CF3PIP=2-(3-trifluoromethyl phenyl)imidazole [4, 5-f][1,10]phenanthroline) and [VO(Hbid)(p-CF3PIP)];(3) (p-CF3PIP=2-(4-trifluoromethyl phenyl) imidazole[4,5-f][1,10]phenanthroline) have been synthesized and characterized by elemental analysis, IR, molar conductance, ES-MS and 1H NMR. The DNA-binding properties of these complexes were studied by using UV-Vis absorption titration, fluorescence spectra, viscosity measurements and thermal denaturation studies. The results show that 1, 2 and 3 interact with calf thymus DNA (CT-DNA) by intercalation modes and the magnitude of their intrinsic binding constants (Kb values) follows the order: 2 < 1 < 3. Furthermore, their photocleavage properties with pBR322 plasmid DNA were investigated by agarose gel electrophoresis experiments. The DNA cleavage capacity of complex 3 is also stronger than that of 1 and 2.

Nonheme Oxovanadium(V,IV) Complexes Catalyze the Oxidative Cleavage of Catechols

It was found that the oxovanadium(V) complex of triethanolamine (TEA) exhibits catalytic activity to the oxidative cleavage of catechols. On the other hand. the vanadyl nitrilotriacetic acid (NTA) complex is inactive. but leads to the formation of stable ternary complex. The main products of the catalytic oxidative cleavage of 3.5-di-tert-butylcatechol were separated and characterized. Based on the results. a reaction mechanism was discussed

New Square-Pyramidal Oxovanadium (IV) Complexes Derived from Polydentate Ligand (L1)

New series of oxovanadium (IV) complexes isolated from 2,4,6-tris-(2-pyridyl)-1,3,5-triazine (L1) are incorporated and portrayed using spectroscopic (IR, UV-Vis, ESR, mass spectrometric), magnetic moment, thermal and cyclic voltammetry measurements. The results demonstrate that L1 acts in various styles of chelation with [V3O3(L1)(SO4)3(EtOH)1/2(H2O)3/2] 1), [VO(L1)(2,4-pentadionate)]·Cl·4HCl 2), [V2O2(L1)(SO4)2(EtOH)5/2] 3), [V2O2(L1)(SO4)2(EtOH)3/2(H2O)1/2] 4), [VO(L1)SO4 (H2O)3/2]·2.5H2O 5) and [V2O2(L1)(SO4)2(H2O)]·H2O 6). The values of magnetic moments and spectral studies suggest a square-pyramidal geometry around the V (IV) ion for all complexes. The molar conductance values suggest that the complexes are non-electrolyte, except the [VO(L1) (2,4-pentadionate)] Cl·4HCl. Molecular modeling calculates the bond length, bond angle, chemical reactivity, energy components (Kcal/mol) and binding energy (Kcal/mol) for the isolated complexes. The in vitro antibacterial studies of these complexes screened against pathogenic bacteria prove them as growth inhibiting agents. Antitumor activity is carried out in vitro on human mammary gland (breast) MCF-7 and cervical cancer cell-HeLa has shown that [VO(L1)SO4(H2O)3/2]·2.5 H2O and [VO(L1)(2,4-pentadionate)] Cl·4HCl complexes display the highest powerful activity between all of the investigated complexes.

The influence of pore structure on P-& S-wave velocities in complex carbonate reservoirs with secondary storage space

Secondary storage spaces with very complex geometries are well developed in Ordovician carbonate reservoirs in the Tarim Basin,which is taken as a study case in this paper.It is still not clear how the secondary storage space shape influences the P-＆ S-wave velocities （or elastic properties） in complex carbonate reservoirs.In this paper,three classical rock physics models （Wyllie timeaverage equation,Gassmann equation and the Kuster-Toks z model） are comparably analyzed for their construction principles and actual velocity prediction results,aiming at determining the most favourable rock physics model to consider the influence of secondary storage space shape.Then relationships between the P-＆ S-wave velocities in carbonate reservoirs and geometric shapes of secondary storage spaces are discussed from different aspects based on actual well data by employing the favourable rock physics model.To explain the influence of secondary storage space shape on V P-V S relationship,it is analyzed for the differences of S-wave velocities between derived from common empirical relationships （including Castagna＇s mud rock line and Greenberg-Castagna V P-V S relationship） and predicted by the rock physics model.We advocate that V P-V S relationship for complex carbonate reservoirs should be built for different storage space types.For the carbonate reservoirs in the Tarim Basin,the V P-V S relationships for fractured,fractured-cavernous,and fractured-hole-vuggy reservoirs are respectively built on the basis of velocity prediction and secondary storage space type determination.Through the discussion above,it is expected that the velocity prediction and the V P-V S relationships for complex carbonate reservoirs should fully consider the influence of secondary storage space shape,thus providing more reasonable constraints for prestack inversion,further building a foundation for realizing carbonate reservoir prediction and fluid prediction.

Synthesis,Crystal Structure and Properties of Complex VO(C_(12)H_(12)N_2O_2)(C_(13)H_(10)NO_2)

Complex VO(C\-\{12\}H\-\{12\}N\-2O\-2)(C\-\{13\}H\-\{10\}NO\-2)(C\-\{12\}H\-\{12\}N\-2O\+\{\{\}\+\{2-\}\}\-2=acetylacetone benzoylhydrozanate,C\-\{13\}H\-\{10\}NO\+_\-2=\%N\%\|phenylbenzohydroxamate) was synthesized and characterized by means of elemental analysis,IR and UV spectroscopies,cyclic voltammetry and single crystal X\|ray diffraction. The complex crystallized in the monoclinic system with space group \%P\%2\-1/\%n\% and the crystal cell parameters \%a\%=1\^3003(1) nm,\%b\%=0\^88836(6) nm,\%c\%=2\^0196(2) nm,\%β\%=95\^065(8)°,\%V\%=2\^3238(3) nm\+3,\%M\%\-r=495\^40 and \%Z\%=4. The two oxygen and one nitrogen atoms of the tridentate hydrazone ligand coordinate to the vanadium atom,forming an equatorial plane. And the coordinated vanadium atom exhibits a distorted octahedral geometry. The atom in the transposition to the oxo O atom is the carbonyl oxygen atom of the hydroxamate ligand in the complex. The half\|wave redox potential of the title complex in the three different solvents positively shifts in the order of CH\-2Cl\-2<CH\-3CN<DMF.

Silica-gel Supported V Complexes： Preparation, Characterization and Catalytic Oxidative Desulfunzation

In this manuscript, a series of catalyst SG n-[VVO2-PAMAM-MSA] (SG silica gel, PAMAM polyamidoamine, MSA 5-methyl salicylaldehyde, n=0, 1, 2, 3) was prepared and their structures were fully characterized by Fourier transform-infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS) and inductive coupled plasma emission spectrometer (ICP) etc. XPS revealed that the metal V and SG n-PAMAM-MSA combined more closely after the formation of Schiff base derivatives. Their catalytic activities for oxidation of dibenzothiophene were evaluated using tert-butyl hydroperoxide as oxidant. The results showed that the catalyst SG 2.0-[VVO2-PAMAM-MSA] presented good catalytic activity and recycling time. Meanwhile, the optimal condition for the catalytic oxidation of SG 2.0-[VVO2-PAMAM-MSA] was also investigated, which showed that when the oxidation temperature was 90 °C, time was 60 min, the O/S was 3:1, and the mass content of catalyst was 1%, the rate of desulfurization could reach 85.2%. Moreover, the catalyst can be recycled several times without significant decline in catalytic activity.

Syntheses,Structures and Characterizations of Two New Vanadium(V) Complexes:[PyH][V^VO_2(C_(14)H_9N_2O_3Br)] and [V^VO(C_(14)H_9N_2O_3Br)(OCH_3)]

The new oxovanadium (V) complex, [PyH][VO2(L)] 1 (salicyladehyde 5-bromo salicyloylhydrazone is abbreviated as H2L; Hpy is protonated pyridine) was obtained from a refluxed solution of VOSO4 and H2L in acetonitrile-methanol-pyridine. Similarly, another new complex, [VO(L)(OCH3)] 2 was synthesized by refluxing VOSO4 and H2L in methanol-pyridine. Crystal data for 1: C19H15N3O5BrV, Mr= 496.2, monoclinic, P21/n, a = 7.1885(3), b = 9.2718(3), c = 28.803(1) A, β = 96.185(1)°, Z = 4 and V = 1908.6(1) A3; for 2: C15H12N2O5BrV, Mr= 431.1, monoclinic, P2,/n, a = 12.202(2), b = 8.045(2), c = 16.604(3) A, β = 101.29(3)°, Z = 4 and V = 1598.4(2) A3. The structures of 1 and 2 have been determined by X-ray analyses and reveal that the coordination environments of V atoms in both complexes are of square-based pyramid. Three of the four based donor atoms are from the tridentate 'ONO' donor ligand while the fourth is one terminal oxygen atom with the V(1) - O(3) distance 1.646(4) A for 1 and one -OCH3 group with the V(1)-O(3) distance 1.753(3) A for 2. The V(1)-O(4) terminals occupy the axial sites in both cases. The complexes are also characterized by IR and 1H NMR spectroscopies.

Synthesis, Crystal Structure and Properties of Complex VO(C_(10)H_9NO_3)(C_(13)H_(10)NO_2)

Complex VO(C 10H 9NO 3)(C 13H 10NO 2)(C 10H 9NO 2- 3=N-salicylidene-L-alaninate, C 13H 10NO- 2=N-phenylbenzohydroxamate) was synthesized and characterized by means of elemental analysis, IR, UV, 1H NMR spectroscopies, cyclic voltammetry and single crystal X-ray diffraction. The complex crystallized in a monoclinic system with space group P2 1 and crystal cell parameters a=0.9720(1) nm, b=1.8274(2) nm, c=1.2542(1) nm, β=104.868(9)°, V=2.1532(4) nm3, M r=470.34, Z=2. The two oxygen atoms and the one nitrogen atom of the tridentate Schiff base ligand and the one oxime oxygen atom of the hydroxamate ligand coordinate to the vanadium atom, forming an equatorial plane, the two axial positions are respectively occupied by the oxygen atom of the oxovanadium and the carbonyl oxygen atom of the hydroxamate and the vanadium atom exhibits a distorted octahedral VO(ONO)(OO) coordination sphere. The 1H NMR spectrum suggests that the two isomers, endo and exo in a molar ratio of 1/1.7, coexist in the solution of the title complex in CDCl 3. There exists a quasi-reversible one-electron redox reaction corresponding to VⅤ/VⅥ couple in the three non-aqueous solvents, and the redox potential E 1/2 of the title complex substantially shifts in the direction of the positive voltage increase in the order: CH 2Cl 2<CH 3CN<DMF.

基于虚拟电阻的复杂直流网络P-V下垂控制方法

对于复杂直流网络控制困难的问题,现有研究很少有基于虚拟电阻的下垂系数计算方法,设计了一种将复杂电网等效为简单放射状网络的方法,并提出一种基于虚拟电阻的功率-电压(P-V)下垂控制方法。首先,定义虚拟母线及虚拟节点,将节点分为3类并分别处理,得到一个等效的放射状电网拓扑结构。然后,根据简化结果推导出P-V下垂系数的计算公式,得出控制策略。仿真结果表明了所提电网等效方法和基于虚拟电阻的P-V下垂控制策略的有效性和可行性。

Synthesis, Crystal Structure and Properties of a Novel Vanadium(Ⅴ) Oxoperoxo Complex Incorporating a Tridentate Hydrazone Ligand

A novel vanadium（V） oxoperoxo complex [VOO2（APTCH）（CH3OH）] （HAPTCH = 2-acetylpyridine thiophene-2-carboxylic hydrazone） has been synthesized and characterized by IR, TGA and X-ray single-crystal structure determination. The complex crystallizes in the monoclinic system, space group P21/c with a = 11.232（2）, b = 10.762（2）, c = 112.613（3）, β = 99.44（3）°, V = 1504.1（5）3, Dc = 1.657 g·cm-3, Z = 4, F（000） = 768, μ = 0.827 mm-1, the final R = 0.0392 and wR = 0.1073 for 2266 observed reflections with I 〉 2σ（I）. Single-crystal X-ray diffraction studies reveal that the vanadium（V） is coordinated by a tridentate ligand, methanol molecule and peroxo group to form a pentagonal-bipyramidal geometry. The crystal structure is stabilized by intermolecular hydrogen bonds of O-H···N and C-H···O.

胆囊三角“V”字形解剖入路在腹腔镜下复杂胆囊切除术患者中的应用效果

目的 分析胆囊三角“V”字形解剖入路对腹腔镜下复杂胆囊切除术患者应激反应及胆道损伤情况的影响。方法 以随机数字表法将2020年1月至12月100例采取腹腔镜下复杂胆囊切除术治疗的患者分为常规组(50例,传统胆囊三角后侧入路)和观察组(50例,胆囊三角“V”字形解剖入路)。比较两组的临床效果。结果 观察组的手术中转开腹率低于常规组,术中出血量少于常规组,肠鸣音恢复时间、引流管留置时长、手术时长、卧床时长以及住院时长短于常规组(P<0.05)。观察组的术后并发症总发生率显著低于常规组(P<0.05)。术后36、48 h及7 d,观察组的视觉模拟评分法(VAS)评分均显著低于常规组(P<0.05)。术后24 h,两组的C-反应蛋白(CRP)、皮质醇(Cor)、去甲肾上腺素(NE)、前列腺素E_(2)(PGE_(2))、细胞间黏附分子-1(ICAM-1)以及髓过氧化物酶(MPO)水平均升高,但观察组显著低于常规组(P<0.05)。结论 对于腹腔镜下复杂胆囊切除术治疗的患者,选择胆囊三角“V”字形解剖入路可取得理想手术效果。

V法铸造生产复杂件工艺研究

研究了运用V法铸造工艺生产复杂铸件的工艺,分别从铸件结构分析、结构优化、工艺设计、生产过程控制等方面详细讲述了复杂铸件的开发过程,介绍了铸造工艺参数对铸件质量的影响以及主要的控制措施,成功开发了质量优良的复杂铸件,对拓展V法铸造工艺的应用范围具有很大的促进作用。

配合物VO[(C_(15)H_(12)N_2O_4)(OC_2H_5)]的合成晶体结构和氧化还原性质

含有ONO给体原子的N-邻甲氧基苯甲酰基水杨酰肼配体与[VO(acac)2]在乙醇中反应得到钒(V)酰配合物VO[(C15H12N2O4)(OC2H5)].标题化合物晶体属三斜晶系,空间群P墿,晶胞参数:a=0.89411(5)nm,b=1.0063(2)nm,c=1.0392(2)nm,α=110.171(7)°,β=95.219(3)°,γ=93.822(2)°;V=0.8692(2)nm3,Z=2,R1=0.0513,wR=0.1532.研究结果表明:钒原子具有扭曲的四方锥配位构型,钒酰氧原子处在锥顶位置,配体的3个给体原子与溶剂分子形成锥底平面.

酰腙氧钒(V)配合物的合成、结构及其抑制幽门螺旋杆菌脲酶研究(英文)

为了探索新型高效脲酶抑制剂,本文合成了2个新的酰腙氧钒(V)配合物,[VOL1(OCH3)(CH3OH)](1)和[VOL2(μ-OCH3)]2(2)(H2L1=N′-(5-氯-2-羟基苯亚甲基)-3-硝基苯甲酰肼;H2L2=N′-(5-氯-2-羟基苯亚甲基)-4-氯苯甲酰肼),并通过物理化学方法和单晶X-射线衍射表征了它们的结构。化合物1是一个单核配合物,而化合物2是由两个甲氧基配体桥连的具有中心对称性的双核配合物。在每个配合物中,V原子都采取八面体配位构型。本文还研究了这两个配合物的热稳定性和它们对幽门螺旋杆菌脲酶的抑制活性。在浓度为100μmol.L-1时,配合物1和2对脲酶的抑制率分别为71.4%和73.3%,其IC50值分别为63.6和37.7μmol.L-1。

新型氧钒(Ⅳ)席夫碱配合物[VO(dtbsal-met)(phen)和VO(naph-met)(phen)]的合成及其抗肿瘤活性

以L-蛋氨酸(met),1,10-邻菲啰啉(phen)和3,5-二叔丁基水杨醛(dbsal)[或2-羟基-1-萘醛(naph)]为原料,经胺醛缩合反应合成了两个新型的氧钒(Ⅳ)席夫碱配合物[VO(dtbsal-met)(phen)(1)和VO(naph-met)(phen)(2)],其结构经IR,HR-ESI-MS,摩尔电导和X-射线单晶衍射表征。1(CCDC:1 429 158)和2(CCDC:1 429 159)分别属单斜晶系和三斜晶系。用MTT法研究了1和2对人肺腺癌细胞(A549)和人源肝癌细胞(HepG2)的体外抗肿瘤活性。结果表明:1和2对A549和HepG2均表现出一定的抑制活性。

CuNi-VTiFe复合型矿化镁铁-超镁铁杂岩体岩相学及岩石地球化学特征:以新疆北部为例

铜镍硫化物矿床和钒钛磁铁矿矿床是镁铁-超镁铁杂岩重要的矿床类型,但二者共生的情况在国内还不多见。新疆北部这类铜镍-钒钛铁复合型矿化岩体较为发育,目前已发现有香山、牛毛泉、土墩南和哈拉达拉等4个岩体属于此类。它们的成岩时代多集中在早二叠世,出露面积在2.8～22km^2,介于通道型铜镍矿化小岩体和大型层状岩体之间,韵律构造发育;岩石组合为超基性-基性-中性岩类,以出现浅色的闪长岩或淡色辉长岩为特点,岩石中金属矿物氧化物(钛铁矿、磁铁矿)和硫化物(黄铁矿、磁黄铁矿、黄铜矿,有时有镍黄铁矿)共存和共生;含矿岩石组合和岩石化学特征与典型铜镍硫化物矿床和钒钛磁铁矿矿床相比,具有重叠和过渡特征;稀土和微量元素特征反映出杂岩体不同岩石类型可能具有相同或相似岩浆来源,是经过强烈分异和演化的产物。新疆北部这类复合型矿化,与北疆地区典型铜镍矿床和典型钒钛磁铁矿矿床,共同构成了新疆北部后碰撞幔源岩浆矿床成矿谱系。

某些酸性磷(膦)酸酯VO(Ⅱ)配合物在四氢呋喃中的氧化过程的ESR研究

本文用电子顺磁共振法对某些酸性磷(膦)酸酯VO(Ⅱ)配合物在四氢呋中的氧化过程进行了动力学研究,研究了温度、浓度和配合物性质对反应速度及反应可逆性的影响,并计算得到动力学参数-氧化反应级数,反应速度常数和反应的表观活化能。

蝎型钒氧配合物Tp*VO(OOCHCCHCOOCH_3)(pz*H)和Tp*VO(DMSO)(NCS)的合成、结构及量子化学研究

本文在室温条件下,甲醇体系中,设计并首次合成了2种蝎型半夹心钒氧配合物Tp*VO(OOCHCCHCOOCH3)(pz*H)(1)和Tp*VO(DMSO)(NCS)(2)(Tp*=三聚3,5-二甲基吡唑硼酸根),通过元素分析、红外光谱对配合物进行了表征,利用X-射线单晶衍射方法对晶体结构进行了测定,并结合从头计算结果进一步分析了配合物的稳定性及分子中配键的共价特征。分析结果表明,配合物1和2的稳定性相近,且中心钒原子周围的价键类型都属于共价键范畴,键序分析结果与晶体结构测定的键长结果是一致的。