Synthesis and Crystal Structure of N-tert-butyl-N′-(2,4-dichlorobenzoyl)-N- [1-(4-chlorophenyl)-1, 4-dihydro-6-methylpyridazine-4-oxo-3-carbonyl] hydrazine

The title compound N-tert-butyl-N(-(2,4-dichlorobenzoyl)-N-[1-(4-chlorophenyl)- 1,4-dihydro-6-methylpyridazine-4-oxo-3-carbonyl]hydrazine [(C23H_21N4O3Cl3)2·1.5H_2O, Mr = 1042.60] was prepared by the reaction of 1-(4-chlorophenyl)-1,4-dihydro-4-oxo-6- methylpyridazine-3-carboxylic acid with chloroformate ethyl ester, then with N′-tert-butyl-N- (2,4-dichlorobenzoyl) hydrazine in the present of triethylamine. The crystal structure has been determined by X-ray diffraction. The crystal belongs to Monoclinic, space group P21/c, with unit cell constants a =11.4948(9), b=12.7495(10), c=35.854(3) ?, β =92.964(2)°, Z=4, V=5247.6(7) ?3, Dc = 1.320 Mg/m3, F(000) = 2156 , μ (MoKa)= 0.385, R = 0.0661, wR = 0.1875, for 9151 observed reflections( I >2σ(I)). The structure is a dimer linked by intermolecular hydrogen bond which can be observed between N(1)- H...O(6), N(5)- H...O(3). The distances are 2.068 and 2.027? respectively.

Crystal and Molecular Structure of Bis-N,N’(dithiodi-2,1-phennylene)benzamide

The crystal structure of the title compound ((C 6H 5CONC 6H 4S) 2, M r =229) has been determined by X ray diffraction analysis. The crystal belongs to triclinic space group P 1 with cell parameters: a=7.957(4), b=11.570(7), c=12 335(6), α=76.68(4), β=81.48(4), γ=87.26(4)°, V=1092.9 3, Z=2, D c =1 39g/cm 3, F(000)=476, μ (Mo Kα )=2.7mm -1 . The final R factor is 0.0373 for 3764 observed reflections. The result of X ray diffraction analysis indicates that all of these single bond lengths are obviously shorter than that of standard single bond. Those atoms might take part in a conjugate system. The electrons for sp 3 hybridized S(1) and S(2) move toward two sides and the densities of electronic cloud among them are reduced and can be easily broken. The obtained results can explain the reaction mechanism of the title compound.

Synthesis, Crystal Structure and Antitumor Activity of (E)-4-tert-Butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine

The title compound （E）-4-tert-butyl-N-（2,4-dichlorobenzylidene）-5-（1,2,4-triazol-1-yl）-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-（1,2,4-triazol-1-yl）-thiazol-2-amine with 2,4-dichlorobenzaldehyde, and its crystal structure was determined by singlecrystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 7.9748（4）, b = 10.1803（5）, c = 11.4603（6）, α = 102.882（1）, β = 100.253（1）, γ = 104.457（1）°, V = 850.95（7）3, Z = 2, F（000） = 392, C16H15Cl2N5S, Mr = 380.29, Dc = 1.484 g/cm3, S = 1.095, μ = 0.512 mm-1, the final R = 0.0301 and wR = 0.0965 for 3334 observed reflections （I 〉 2σ（I））. The preliminary antitumor activity shows that for the title compound the IC50 of Hela is 0.175 μmol/mL and that of Bel7402 is 0.156 μmol/mL.

Synthesis, Crystal Structure and Antitumor Activity of 4-tert-Butyl-N-(2-fluorophenyl)-5- (1H-1,2,4-triazol-1-yl)-thiazol-2-amine

The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl- 1 - （1 H- 1,2,4-triazol- 1 -yl）butan-2-one with 1 -（2-fluorophenyl）thiourea, and its crystal struc- ture was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a = 15.2568（6）, b = 12.1533（5）, c = 16.7307（7） A, Z = 8, V = 3102.2（2） A3, Mr = 317.39, Dc = 1.359 g/cm3, S = 1.05, μ = 0.223 mm-1, F（000） = 1328, the final R = 0.034 and wR = 0.097 for 2590 observed reflections （I 〉 2σ（I））. X-ray crystal structure presents the intramolecular N-H…N hydrogen bond, which plays an important role in stabilizing the crystal structure. In addition, the preliminary biological test on the title compound shows good antitumor activity, with IC50 of 0.122 μmol/mL against the Hela cell line.

Synthesis and Crystal Structure of 4,4'-(4-(1-Naphthyl)-4-phenyl-1,3-butadienylidene)-bis[N,N-diethylbenzenamine]

The title compound （C40H42N2） has been synthesized by the reaction of l-（l- naphthyl）-l-phenyl-3-chloropropylene and bis（4-（diethylamino） phenyl）methanone, and characterized by IR, ^1H NMR, MS and X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c with a = 17.047（3）, b = 10.807（2）, c = 18.494（4） A, β = 105.727（4）°, V= 3279.4（11） A^3, Mr = 550.76, Z = 4, Dc = 1.115 g/cm^3,μ（MoKa） = 0.085 mm^-1, F（000） = 1184, the final R = 0.0625 and wR = 0.1384 for 2276 observed reflections （1 〉 2σ（I））. X-ray analysis reveals that the butadiene fragment adopts a planar cisiod conformation and makes a dihedral angel of 69.4（2）° with the naphthalene ring.

Synthesis, Crystal Structure and Antitumor Activity of 4-(tert-butyl)-5-(1H-1,2,4-triazol-1-yl)-N-(2-hydroxy-3,5-diiodinebenzyl)-thiazol-2-amine

The title compound, 4-（tert-butyl）-5-（1 H- 1,2,4-triazol- 1 -yl）-N-（2-hydroxy-3,5-diio- dinebenzyl）thiazol-2-amine, was synthesized via the reduction of 4-（tert-butyl）-5-（1H-l,2,4- triazol-l-yl）-N-benzylidene-thiazol-2-amine with NaBH4, and its crystal structure was determined by single-crystal X-ray diffraction. The compound crystallizes in monoclinic system, space group P21/c with a = 7.91944（19）, b = 10.5250（3）, c = 24.4985（6） A, Z = 4, V = 2041.66（9） A3, Mr = 599.22, Dc = 1,949 Mg/m3, S = 1.120, p = 3.203 mm-1, F（000） = 1152, the final R = 0.0283 and wR = 0.0592 for 3490 observed reflections （I 〉 2σ（I））. X-ray analysis displays that the crystal water takes part in three intermolecular hydrogen bonds of O（2）-H（2A）…O（1）, O（2）-H（2B）…N（I） and N（5）-H（5）…O（2）, and an octatomic ring R^（8） is formed via intramolecular hydrogen bond of O（I）-H（IA）…N（4）. Furthermore, the I…I contacts are involved in stabilizing the overall three-dimensional network structure. The preliminary biological test shows the title compound has good antitumor activity with the IC50 value of 26 μM against the Hela cell line.

Synthesis and Crystal Structure of (1S)-1,1'-Bis{[N-ethyl-N-(1-methylethyl)-amino]-carbonyl}-2-(hydroxydiphenylmethyl)-ferrocene

The title complex,(1S)-1,1'-bis{[N-ethyl-N-(1-methylethyl)-amino]carbonyl}-2-(hydroxyldiphenylmethyl)-ferrocene([Fe(C_(24)H_(22)NO_(2))(C_(11)H_(16)NO)]_(2)·H_(2)O,Mr=1207.13),was synthesized via(-)-Sparteine-mediated enantioselective directed ortho-lithiation of 1,1‘-bis{[N-ethyl-N-(1-methylethyl)-amino]carbonyl}-2-(hydroxydiphenylmethyl)-ferrocene.The structure of the rifle compound was determined by X-ray single-crystal diffraction.The crystal belongs to the orthorhombic system,space group P2_(1)2_(1)2_(1),with a=10.266(2),b=17.676(4),c=34.097(7)A,V=6187(2)A3,Z=4,C_(70)H_(86)Fe_(2)N_(4)O_(7),Dc=1.296 g/cm^(3),μ=0.527 mm^(-1),T=113(2)K,F(000)=2568,the final R=0.0469 and wR=0.0984 for 13940 observed reflections with I〉2σ(I).The neighboring ferrocene derivatives are joined into dimers via O-H…O=C intermolecular hydrogen bonding by a water molecule.Besides,the dimers form neat rows along the a axis.

Synthesis and Crystal Structure of N1-(2-(4-Bromo-2-nitrophenoxy)-2-dimethyl acyloxymethyl)-5-fluorouracil

The title compound N1-（2-（4-bromo-2-nitrophenoxy）-2-dimethyl acyloxymethyl）-5-fluorouracil（C15H13BrFN3O7, Mr = 446.19） was synthesized and structurally characterized by ^1H-NMR, -（13）C-NMR, ESI-MS and single-crystal X-ray diffraction. The compound crystallizes in triclinic, space group P1, with a = 8.3325（6）, b = 10.1808（13）, c = 11.8194（16） A, α = 73.194（12）, β= 72.351（9）, γ = 89.509（8）o, V = 911.2（2） A^3, Z = 2, T = 300.79（10） K, μ（Cu Kα） = 3.578 mm^-1, Dc = 1.626 g/cm3, F（000） = 448.0, GOF = 1.060, 5723 reflections measured（8.232≤2θ≤139.592°）, 3339 unique（Rint = 0.0184, Rsigma = 0.0254） which were used in all calculations. The final R = 0.0517（I 〉 2s（I）） and wR = 0.1494（all data）. Hydrogen bonds and π-π interactions together stabilize the structure of the molecule. The preliminary biological test shows that the title compound has good antitumor activity against A549 in vitro and lower toxicity to normal cells.

CDIO教学模式在基层医院N0-N1级护士临床教学中的应用

分析CDIO教学模式在基层医院N0-N1级护士规范化培训临床教学中的应用价值。方法 选取60名象山县第一人民医院N0-N1级护士随机分为观察与对照两组,分别采用CDIO模式与常规模式,对比临床教学效果。结果 观察组护士的理论与实践成绩,带教护生对教学效果评价结果,护生专业水平都比对照组更高,差异有统计学意义(P<0.05)。结论 在基层医院N0-N1级护士临床教学中,引入CDIO教学模式(Conceive & Design & Implement & Operate Teaching mode),可辅助提高护生学习主动性与积极性,从而提升考核成绩与专业能力。

Structure and Anti-influenza A(H1N1) Virus Activity of Three Polysaccharides from Eucheuma denticulatum

Three polysaccharides （EW, EH and EA） were prepared from a red alga Eucheuma denticulatum by sequential extraction with cold water, hot water and sodium hydroxide water solution. Their monosaccharide compositions, relative molecular mass and structural characterization were determined by gas chromatography, high performance liquid chromatography, fourier transform infrared spectroscopy and nuclear magnetic resonance spectroscopy methods. EW was hybrid l/k/v-carrageenan （701/17k/13v-car- rabiose）, EH was mainly t-carrageenan, and EA was mainly α-1,4-Glucan （88%） but mixed with small amount of t-carrageenan （12%）. The relative molecular mass ofEW, EH and EA was 480, 580 and 510kDa, respectively. The anti-influenza A （H1N1） virus activity of these three polysaccharides was evaluated using the Madin-Darby canine kidney cells model. EW showed good anti-H1N1 virus activity, its ICso was 276.5 μg mL-1, and the inhibition rate to H1N1 virus was 52% when its concentration was 250 μgmL-1. The ICs0 of t-carrageenan EH was 366.4 μgmL1, whereas EA showed lower anti-H1N1 virus activity （IC50〉430μgmL-1）. Available data obtained give positive evidence that the hybrid carrageenan EW from Eueheuma denticulatum can be used as potential anti-H1N1 virus inhibitor in future.

基于新型“1+X+N”人才培养模式的一流本科课程建设探索

为了适应时代的发展需求,响应国务院提出的在应用型本科高校启动“学历证书+若干职业技能等级证书”制度(即“1+X”证书制度)的试点工作,民办本科院校积极探索“1+X+N”人才培养新模式。在人才培养新模式下,省级一流本科课程光纤通信技术课程组从明确课程定位、推动教学改革、加大资源建设、优化教学内容与实施过程、推进课程思政、改善课程成绩评定等方面开展工作,努力提升学生在光纤通信方面的综合应用能力,培养出满足新时代通信发展需求的高质量人才。

Electronic structure and infrared spectrum of a W_n C^(0,±) (n = 1-6) cluster

WnC0＇± （n= 1-6） clusters are investigated by using the density functional theory （DFT） at the B3LYP/LANL2DZ level. We find that the neutral, anionic and cationic ground state structures are similar within the same size, and constituted by substituting a C atom for one W atom in the structures of Wn＋1 clusters. The natural bond orbital （NBO） charge analyses indicate that the direction of electron transfer is from the W atom to the 2p orbital of the C atom. In addition, the calculated infrared spectra of the WnC0＇± （n= 2-6） clusters manifest that the vibrational frequencies of neutral, anionic and cationic clusters are similar in a range of 80 cm-1-864 cm-1. The high frequency, strong peak modes are found to be an almost stretched deformation of the carbide atom. Finally, the polarizabilities of WnC0＇± （n= 1-6） clusters are also discussed.

Two Cobalt(II) Complexes Derived from the Hydrolysis Product of Di-Schiff Base Ligand N,N'-Bis-(1-benzimidazo-2-yl-ethylidene)-ethane-1,2-diamine:Preparation,Characterization and Crystal Structure of the 6-Coordinate Species [CoL_2]X·H_2O (X = ClO_4^-, N

The reactions of Co（C1O4）2·6H2O and Co（NO3）2.6H2O with the di-Schiff base ligand N,N＇-bis-（1-benzimidazo-2-yl-ethylidene）-ethane-1,2-diamine （LA） in ethanol have been investigated. The reactions of LA with excess amount of cobalt salts yield the six-coordinate complexes [CoL2]（ClO4）E·H2O 1 and [CoL2]（NO3）E·H2O 2 as isolatable products （L= N-（1- benzimidazo-2-yl-ethylidene）-ethane-1,2-diamine）, where L is a tri-dentate mono-Schiff base ligand, resulting from the hydrolysis of the precursor di-Schiff base LA. Both complexes were characterized by X-ray crystallography. Crystal data for complex 1： monoclinic, space group P21/c, a = 11.9214（10）, b = 23.5828（17）, c = 14.0387（12）A, β = 135.219（4）°, C22H30Cl2CoN8O9, Mr = 680.37, V = 2780.1（4） A^3 ,Z = 4, Dc = 1.625 g/cm^3,μ（MoKa） = 0.876 mm^-1, F（000） = 1404, the final R = 0.0725 and wR = 0.1530 for 5726 observed reflections （I 〉 2σ（I））. Crystal data for complex 2： monoclinic, space group P21/c, a = 18.2162（16）, b = 10.0610（6）, c = 18.593（2）A, β = 130.099（3）°, C22H30CoN10O7, Mr = 605.49, V = 2606.5（4） A3 Z = 4, Dc = 1.543 g/cm^3,μ（MoKa） = 0.722 mm^-1, F（000） = 1260, the final R = 0.0619 and wR = 0.1429 for 5194 observed reflections （I 〉 2σ（I））. X-ray diffraction analysis reveals that each cobalt atom in the two complexes is chelated by six nitrogen atoms from two tridentate iigands L, exhibiting a slightly distorted octahedral coordination sphere. In both complexes, the strong hydrogen-bonding interactions between the lattice waters and N-H groups of the ligands result in 1D chains which are further connected by ClO4^- （or NO3^-） groups to form a 3D framework. In complex 2, the strong π-π interactions increase the stability of the structure.

Synthesis, Crystal Structure and Antitumor Activities of N,N,1-Triphenyl-1H-benzo[d]imidazol-5-amine Derivatives

In order to discover the novel antitumor agents,a series of N,N,1-triphenyl-1Hbenzo[d]imidazol-5-amine derivatives were designed and synthesized,and the structures were characterized by IR,H-RMS,1H and 13C NMR.X-ray crystallography showed that 4c is in monoclinic system,space group P1 with a=9.209(2),b=9.533(3),c=14.097(3)?,β=102.069(3)°,V=1202.2(5)?3,Z=2,F(000)=528,μ=1.74 mm–1,S=1.024,the final R=0.0448 and wR=0.1109.The in vitro antitumor activities of target compounds were evaluated by MTT assay against human cancer cell lines K562,HL-60,HeLa and BGC-823.The target compounds demonstrated weak or moderate antitumor activities against these cell lines.

Synthesis and Crystal Structure of N,N'-Diphenyl-3, 6-diethyl-1,4-dihydro-s-tetrazine-1,4-dicarbonamide

The crystal structure of the title compound N,N-bisphenyl-3,6-diethyl-1,4- dihydro-s-tetrazine-1,4-dicarbonamide (C20H22N6O2, Mr = 378.44) has been prepared and determi- ned by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group Pbca with a = 16.287(2), b = 11.347(4), c = 20.975(4) ? V = 3876.4(16) ?, Z = 8, Dc = 1.297 g/cm3, F(000) = 1600, m = 0.088 mm-1, MoKa radiation (l = 0.71073 ?. The structure was refined to R = 0.0337 and wR = 0.1038 for 1952 observed reflections with I > 2s(I). X-ray diffraction analysis reveals that two amide groups are located at the 1 and 4 positions, and the tetrazine ring itself shows a boat conformation.

医学院校思政课“1+3+N”教学实践探析

“1+3+N”教学模式围绕医学院校特色、医学专业和医学生特点,基于移动互联技术,坚持以学生为中心,有机融合网络教学、课堂教学和实践教学3种集中教学形式,辅以N种分散教学形式,实现思政课与医学生医学梦的同频共振。学生通过网络课堂预习基本知识点,教师在课堂教学中着重讲解重难点并解答学生预习遇到的问题,学生通过实践教学把所学理论知识内化于心、外化于行。小班讨论等N种分散教学形式旨在培养学生听、读、看、写、讲、行能力。“1+3+N”教学模式弥补了传统灌输式授课方式的短板,调动了医学生学习思政课的积极性和主动性。影响该教学模式实践效果的因素包括学校网络教学基础设施和信息化教学设备情况、师生相关技术掌握情况、网络教学管理情况、网络教学和课堂教学衔接情况、实践教学组织实施情况等,针对这些影响因素,采取相应优化策略,以提升教学效果。

Quantum Chemical Study of Geometric Structures and Properties for Ag_nH_2S(n = 1～10) Clusters

The stable structures and stabilities of AgnH2S（n = 1-10） clusters have been calculated using the B3P86-DFT method. The results predicate that the stable geometries of AgnH2 S clusters can be got by directly adding the H2 S molecule on different sites of Agn clusters. Agn clusters would like to bond with sulfur atom and the H2 S molecules are partial to adsorb at the top site in the clusters. After adsorption, the structures of Agn clusters and H2 S molecule keep the original structures except Ag9. The binding energy of AgnH2 S is distinctly larger than that of pure Agn clusters. The second difference in energy and the HOMO and LUMO gaps of Agn and AgnH2 S exhibit an obvious odd-even oscillation, which demonstrate that the stabilities of even-numbered silver clusters are relatively more stable than the neighboring odd-numbered silver clusters. Mulliken population analysis shows that charges always transfer from the H2 S molecule to Agn clusters in all clusters.

Crystal Structure of Chlorinate (N,N-1,3-Dibenzyl-benzimidazole) Hydrate

The structure of the title compound consisting of N,N-1,3-dibenzyl-benzimidazole ion, Cl- anion and hydrate was determined by X-ray diffraction method. It crystallizes in the triclinic system, space group P with a = 9.320(2), b = 9.850(2), c = 11.510(2) ? = 68.75(3), = 80.57(3), = 70.20(3)? C21H19ClN2H2O, Mr = 352.85, V = 925.6(3) 3, Z = 2, Dc = 1.266 g/cm3, F(000) = 372, = 0.217 mm-1, R = 0.0452 and wR = 0.1372. The total reflections were 3462 and 3244 (Rint = 0.0206) were independent, of which 1666 were observed with I > 2s(I). The planes of benzyl group are nearly perpendicular to each other. The water molecules with Cl-anions and C(8) atom are involved in hydrogen bonds and interactions, and - stacking interaction exists obviously between the adjacent phenyl and imidazole rings. The title complex forms a three-dimensional network throughout the structure through these hydrogen bonds and interactions.

3-N,N-二甲基氨基-1-芳杂环基-2-丙烯-1-酮合成

目的合成3-N,N-二甲基氨基-1-(3-吡啶基)-2-丙烯-1-酮及其类似物。方法用二甲苯作为溶剂,使N,N-二甲基甲酰胺二甲基缩醛与乙酰基芳杂环类化合物,如乙酰吡啶、乙酰噻吩和乙酰呋喃等,在138℃反应24 h,生成3-N,N-二甲基氨基-1-芳杂环基-2-丙烯-1-酮类化合物,并对目标化合物进行了分析鉴定及表征。结果合成7个目标化合物,产率为86%-92%。结论合成方法简便,反应条件较温和,反应产率较高,目标化合物可用于合成新型抗癌药物甲磺酸伊马替尼及其类似物。

砂西区块N1-N2^1油藏主控因素分析

通过对砂西N1-N12层的构造、断层封闭性、沉积相、储层、隔层厚度等特征研究,认为砂西N1-N12构造是一个复杂的鼻状构造,目的层存在15条断层,其中Ⅱ、(2)、(7)、(9)号断层的封闭性好于其他断层,断层的主要活动期是N22-N23;砂西N1-N12自下而上为一套由湖泊向辫状河三角洲相过渡的反旋回沉积,物源主要来自西部和北西方向,受控于阿拉尔河北沉积体系;Ⅱ号断层上盘储层属于中孔、中渗类型,下盘储层属于低孔、低渗类型;上盘胶结物含量、成分成熟度小于下盘;上盘粒间孔远高于下盘。研究认为,Ⅱ号断层上盘油气产量高的主控因素是构造断裂、储层特征和孔隙类型;Ⅵ～Ⅷ油层组油气富集的主控因素有构造特征、断层封闭性、隔层厚度、沉积特征等。