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1. chinaXiv:201711.00122 [pdf]

Synthesis, Crystal Structure and Antitumor Activity of Tectochrysin-6-sulfonate

LI Wu-Wu; ZHANG Zun-Ting
分类: 化学 >> 物理化学

In order to enhance water-solubility and biological utilization rate of tectochrysin, sodium 5-hydroxyl-7-methoxyflavone-6-sulfonate (1) was synthesized and its structure was identified on the basis of 1H NMR, FT-IR and elemental analysis. 5-Hydroxyl-7-methoxyflavone-6-sulfonate was assembled with Ni(II) or Mn(II), hexaquanickel(II) bis(5-hydroxyl-7-methoxyflavone-6-sulfonate) tetrahydrate (2) and hexaquamanganese(II) bis(5-hydroxyl-7-methoxyflavone-6-sulfonate) tetrahydrate (3) were obtained and characterized by IR spectroscopy. The crystal structures of 2 and 3 were determined by X-ray single-crystal diffraction analysis. The results showed that 2 and 3 are isomorphous crystals and crystallize in monoclinic crystal system, space group C2/c. In 2 and 3, the supramolecular structures are organized into hydrophilic and hydrophobic regions. Hydrophilic regions are generated by O–H×××O hydrogen bonds among sulfonate groups, latticed water molecules and coordinated water molecules. The π-π stacking interactions assemble the flavone skeletons into columns and these columns form hydrophobic regions. The sulfonate groups play an important role as a bridge of the hydrophilic and hydrophobic regions as well as the inorganic and organic components. Three-dimensional networks of 2 and 3 are furnished by extensive array of hydrogen bonds, π-π stacking interactions and electrostatic interactions. The anti-proliferative activities of 1~3 in vitro against human leukemia cells K562 and human lung cancer cells A549 were evaluated by the standard MTT assay. The pharmacological activity results showed that the introduction of sulfonic acid groups enhanced the antitumor activity of tectochrysin.

提交时间: 2017-11-05 来自合作期刊:《结构化学》 点击量217下载量46 评论 0

2. chinaXiv:201711.00123 [pdf]

Structural Features and Biological Activities of Bioactive Compounds from Fortunella margarita (Lour.) Swingle: A Review

ZENG Hong-Liang; CHEN Pei-Lin; HUANG Can-Can; SHEN Jin-Ye; CHANG Qing; ZHENG Bao-Dong; ZHANG Yi
分类: 化学 >> 物理化学

Fortunella margarita (Lour.) Swingle, commonly known as kumquat, is the smallest citrus fruit. It thrives in southeastern China and is widely cultivated and consumed in the world due to its multiple health benefits. It has been used as an important herbal medicine in traditional Chinese medicine and also as one of the most popular fruits. There are various kinds of bioactive compounds in F. margarita, such as polysaccharides, limonoids, essential oils, flavonoids, phenolic acids, vitamins, dietary fiber, etc. In addition, many studies have reported that these bioactive compounds can be used as antioxidant, antimicrobial, hypolipidemic, drosophila lure components in functional foods, pharmaceuticals and daily chemical products due to their biological activities. This review focuses on the structural features and biological activities of polysaccharides, limonoids, essential oils and flavonoids and other bioactive substances from F. margarita and their potential applications in food, daily chemical and pharmaceutical industries.

提交时间: 2017-11-05 来自合作期刊:《结构化学》 点击量191下载量24 评论 0

3. chinaXiv:201711.00124 [pdf]

Syntheses, Crystal Structures and Characterization of Two Coordination Polymers Based on Mixed Ligands

WANG Yu-Fang; HE Chao-Jun
分类: 化学 >> 物理化学

Two new coordination polymers, namely, {[Cd1.5(bc)2(HL)].H2O}2n (1) and [Mn(ip)(H2L)(H2O)]n (2) (H2L = 3-(1H-pyrazol-4-yl)-5-(pyridin-2-yl)-1,2,4-triazole, Hbc = benzoic acid, H2ip = isophthalic acid) were constructed by solvothermal reaction. The compounds were characterized by elemental analysis, FT-IR spectroscopy, and single-crystal X-ray diffraction. Compound 1 displays a two-dimensional plane structure consisting of [Cd3(bc)2(HL)] subunits. Compound 2 possesses a one-dimensional chain structure and is further extended into a 3-D supramolecular architecture via hydrogen bonds. Moreover, photoluminescence studies showed compound 1 exhibits luminescent emissions with emission maxima at 375 nm. Magnetic susceptibility measurements of 2 indicate that domain antiferromagnetic interactions exist between Mn(II) ions. In addition, thermogravimetric properties of 1 and 2 were also measured.

提交时间: 2017-11-05 来自合作期刊:《结构化学》 点击量188下载量25 评论 0

4. chinaXiv:201711.00125 [pdf]

Synthesis, Crystal Structure and Fluorescent Properties of Silver and Cadmium Complexes

WANG Qing-Wei; LIU Bo; SUI Wei
分类: 化学 >> 物理化学

Two new complexes [Ag(bix)]n·nNAA·nH2O (1) and [Cd(NAA)(phen)2(H2O)]2·2CH3COO-·H2O (2) (bix = 1,4-bis(imidazol-1-ylmethyl)benzene, HNAA = α-naphthylacetic acid, phen = 1,10-phenanthroline) have been successfully synthesized under hydrothermal conditions. Their structures have been determined by elemental analyses, IR spectroscopy, TG and single-crystal X-ray diffraction analysis. The intermolecular hydrogen bonding or π-π stacking interactions extend the complexes into a 3D supramolecular structure. Moreover, the luminescent properties of complex 2 have been investigated in the solid state.

提交时间: 2017-11-05 来自合作期刊:《结构化学》 点击量201下载量33 评论 0

5. chinaXiv:201711.00126 [pdf]

A New Cd(II) Coordination Compound Based on 4-(1,2,4-Triazol-4-yl)phenylacetic Acid: Synthesis, Structure and Photoluminescence Property

ZHU Mei-An; GUO Xing-Zhe; XIAO Li; CHEN Shui-Sheng
分类: 化学 >> 物理化学

A new complex [Cd2(L)2(Cl)2(H2O)]n (1) was synthesized by reacting CdCl2·2.5H2O with 4-(1,2,4-triazol-4-yl)phenylacetic acid (HL) ligand. The structure of the complex was characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and PXRD. Complex 1 crystallizes in triclinic, space group P21/c with a = 11.4303(8), b = 14.1792(10), c = 14.6857(10) Å, β = 96.3780(10)º, V = 2365.4(3) Å3, Z = 4, C20H16Cl2N6O5Cd2, Mr = 716.09, Dc = 2.011 g/cm3, μ = 2.069-1, S = 1.051, F(000) = 1392, the final R = 0.0458 and wR = 0.0949 for 5402 observed reflections (I > 2σ(I)). Complex 1 is a two-dimensional (2D) layer structure and non-covalent bonding interactions such as C–H···π and π···π extend the 2D to form a three-dimensional supramolecular polymer.

提交时间: 2017-11-05 来自合作期刊:《结构化学》 点击量188下载量27 评论 0

6. chinaXiv:201711.00127 [pdf]

Synthesis, Structure and Photoelectric Property of a 3D Supramolecular Zinc Coordination Polymer

LUO Ya-Nan; LIU Zhi-Chen; JIANG Hui-Ying; YU Li-Ying; YU Xiao-Yang
分类: 化学 >> 物理化学

Using a rigid azo ligand 4-[(8-hydroxy-5-quinolinyl)azo]-benzoic acid (H2L), a new supramolecular compound [Zn(L)(H2O)2]n (1) has been solvothermally synthesized and structurally characterized by X-ray single-crystal diffraction, infrared spectrum, elemental analysis, power X-ray diffraction and thermal analysis. Compound 1 crystallizes in monoclinic, space group C2/c with a = 30.372(8), b = 11.415(3), c = 9.248(3) Å, β = 106.94(3)º, V = 3067.20(15) Å3, C16H13N3O5Zn, Mr = 392.66, Z = 8, Dc = 1.701 Mg/m3; F(000) = 1600, μ = 1.636 mm−1, reflections collected: 7290, reflections unique: 2735, Rint = 0.0282, R = 0.0351, wR (all data) = 0.0919, GOOF on F2 = 1.036. Compound 1 exhibits a one-dimensional (1D) zig-zag chain structure connected into a three-dimensional (3D) supramolecular network through hydrogen bonding interactions. Fluorescent property and electrochemical property were detected on compound 1.

提交时间: 2017-11-05 来自合作期刊:《结构化学》 点击量198下载量34 评论 0

7. chinaXiv:201711.00128 [pdf]

Up-conversion Properties of Er3+/Yb3+ Co-doped Li3Ba2Gd3(MoO4)8 Phosphors

SONG Ming-Jun; ZHANG Yan; ZHANG Na-Na; WANG Lin-Tong; MENG Qin-Guo
分类: 化学 >> 物理化学

Er3+/Yb3+ co-doped Li3Ba2Gd3(MoO4)8 phosphors were synthesized by conventional solid state reaction method, and their structure and spectral properties were investigated. The diffuse reflectance spectra showed that the 4I15/2 → 4I11/2 transition of Er3+ and the 2F7/2 → 2F5/2 transition of Yb3+ ions were highly overlapped. Under the excitation of 980 nm, three up-conversion (UC) luminescence bands around 530, 555 and 660 nm were observed, corresponding to the 2H11/2 → 4I15/2, 4S3/2 → 4I15/2 and 4F9/2 → 4I15/2 transitions of Er3+ ions, respectively. The effects of the concentration and pumping power on the UC intensities of Li3Ba2Gd3(MoO4)8:Er3+/Yb3+ phosphors were investigated, and the possible UC mechanism was proposed based on the results.

提交时间: 2017-11-05 来自合作期刊:《结构化学》 点击量185下载量24 评论 0

8. chinaXiv:201711.00129 [pdf]

A New Iodiplumbate-based Hybird Constructed from Asymmetric Viologen and Polyiodides: Structure, Properties and Photocatalytic Activity for the Degradation of Organic Dye

WANG Dao-Hua; LIN Xiao-Yan; WANG Yu-Kang; ZHANG Wen-Ting; SONG Kai-Yue; LIN Heng; LI Hao-Hong; CHEN Zhi-Rong
分类: 化学 >> 物理化学

A new iodiplumbate/organic hybrid constructed from asymmetric viologen and polyiodides, (PBPY-H2)2[PbI4(I3)2] (1, PBPY = N-(propionate)-4,4΄-bipyridinium), has been synthesized via solvothermal reaction and structurally determined by X-ray diffraction method. Compound 1 crystallizes in monoclinic system, space group P21/c with Mr = 1936.72, a = 11.622(2), b = 14.839(3), c = 13.372(2) Å, β = 109.447(3)°, V = 2174.6(7) Å3, Z = 2, Dc = 2.958 g/cm3, F(000) = 1712, μ(MoKα) = 11.011 mm–1, the final R = 0.0389 and wR = 0.0854 for 3866 observed reflections with I > 2σ(I). [PbI4(I3)2]4- mononuclear cluster of 1 features a seldom example of coordinated I3- donors for the lead center. Intermolecular hydrogen bonds between [PbI4(I3)2]4- clusters and (PBPY-H)24+ dimmers contribute to the formation of a 2-D layer. Its absorption spectrum was investigated, and lower energy band gap of 1.42 eV was explained by DFT calculation. Interestingly, 1 exhibits photocatalytic activity for the degradation of rhodamine B.

提交时间: 2017-11-05 来自合作期刊:《结构化学》 点击量191下载量25 评论 0

9. chinaXiv:201711.00130 [pdf]

Investigation of the Substituent Effects on π-Type Pnicogen Bond Interaction

XU Hui-Ying; CAO Sheng-Wei; WANG Wei; ZHU Jian-Qing; ZOU Jian-Wei; XU Xiao-Lu LU Yin
分类: 化学 >> 物理化学

Intermolecular interactions between PH2Cl and Ar–R (R = H, OH, NH2, CH3, Br, Cl, F, CN, NO2) were calculated by using MP2/aug-cc-pVDZ quantum chemical method. It has been shown from our calculations that the aromatic rings with electron-withdrawing groups represent much weaker binding affinities than those with electron-donating groups. The charge-transfer interaction between PH2Cl and Ar–R plays an important role in the formation of pnicogen bond complexes, as revealed by NBO analysis. Nevertheless, AIM analysis shows that the nature of the interactions between PH2Cl and Ar–R is electrostatic, and the interaction energies of the complexes are correlated positively with the electron densities in the bond critical points (BCPs). RDG/ELF graphical analyses were performed to visualize the positions and strengths of the pnicogen bonding, as well as the spatial change of the electron localization upon the formation of complexes. The π-type halogen bond was also calculated, and it has been revealed that the π-type pnicogen bond systems are more stable than the halogen bond ones.

提交时间: 2017-11-05 来自合作期刊:《结构化学》 点击量195下载量34 评论 0

10. chinaXiv:201711.00131 [pdf]

Construction of Two Inorganic-organic Hybrid Vanadogermanates Based on Di-Cd-Substituted Ge-V-O Cluster and Transition-metal Complex Bridges

RU Jing-Jing; GU Ya-Nan; MA Xiang; CHEN Jian-Zhong; ZHENG Shou-Tian; LI Xin-Xiong
分类: 化学 >> 物理化学

Two new inorganic-organic hybrid vanadogermanates H[Cd(en)(phen)(H2O)][Cd(en)(phen)]{[Cd(phen)]2[Ge8V12O41(OH)7]}�H2O (1) and [Cd(dien)2][Cd(dien)]2{[Cd(phen)]2Ge8V12O42(H2O)(OH)6}�.5H2O (2) (en = ethylenediamine, dien = diethylenetriamine, phen = 1,10-phenanthroline) have been synthesized by hydrothermal method. Their structures were measured by single-crystal X-ray diffractions, thermogravimetric analysis, powder X-ray diffractions and infrared spectra. Structural analysis reveals that compound 1 is an infrequent dimeric structure based on di-Cd-substituted Ge-V-O cluster and transition-metal complex bridges, while compound 2 is an infinite 1-D chain constructed from di-Cd-substituted Ge-V-O clusters and dinuclear bridging complexes. Magnetic measurement indicated that both 1 and 2 exhibit antiferromagnetic behaviors.

提交时间: 2017-11-05 来自合作期刊:《结构化学》 点击量196下载量35 评论 0

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