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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >New barium, strontium and strontium‐doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and in vitro in vitro cytotoxicity studies
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New barium, strontium and strontium‐doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and in vitro in vitro cytotoxicity studies

机译：新的钡，锶和锶掺杂的钡系数：合成，晶体结构和DNA / BSA结合，抗氧化和体外体外细胞毒性研究

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摘要

A new set of differently hydrated barium and strontium squarates, namely poly[[triaqua(μ‐1,2‐dioxocyclobut‐3‐ene‐1,2‐diolato)barium] monohydrate], {[Ba(C 4 O 4 )(H 2 O) 3 ]·H 2 O} n ( 1 ), poly[[diaqua(μ‐1,2‐dioxocyclobut‐3‐ene‐1,2‐diolato)strontium] monohydrate], {[Sr(C 4 O 4 )(H 2 O) 2 ]·H 2 O} n ( 2 ), and poly[[triaqua(μ‐1,2‐dioxocyclobut‐3‐ene‐1,2‐diolato)barium/strontium(0.85/0.15)] monohydrate], {[Ba 0.85 Sr 0.15 (C 4 O 4 )(H 2 O) 3 ]·H 2 O} n ( 3 ), is reported. The study of their crystal structures indicates that all the complexes crystallize in the triclinic space group P . Complexes 1 and 3 have a rare combination of squarate units coordinated through monodentate O atoms to two different metal atoms and through two bidentate O atoms to three different metal atoms. Furthermore, they have three coordinated water molecules to give a coordination number of nine. The squarate ligands in complex 2 exhibit two different coordination modes: (i) monodentate O atoms coordinated to four different Sr atoms and (ii) two monodentate O atoms coordinated to two different metal atoms with the other two O atoms bidentate to four different Sr atoms. All the compounds decompose to give the respective carbonates when heated to 800?°C, as evidenced by thermogravimetry/differential thermal analysis (TG‐DTA), which are clusters of nanoparticles. Complexes 1 and 3 show additional endothermic peaks at 811 and 820?°C, respectively, indicating the phase transition of BaCO 3 from an orthorhombic (α‐ Pmcn ) to a trigonal phase (β‐ R 3 m ). All three complexes have significant DNA‐binding constants, ranging from 2.45 × 10 4 to 9.41 × 10 4 ? M ?1 against EB‐CT (ethidium bromide–calf thymus) DNA and protein binding constants ranging from 1.1 × 10 5 to 8.6 × 10 5 with bovine serum albumin. The in vitro cytotoxicity of the complexes is indicated by the IC 50 values, which range from 128.8 to 261.3?μg ml ?1 . Complex 3 shows better BSA binding, antioxidant activity against the DPPH radical and cytotoxicity than complexes 1 and 2 .
机译：一组新的不同水合钡和锶平均，即聚[[Triaqua（μ-1,2-二氧杂环-3-eNE-1,2-Diolato）钡]一水合物]，{[Ba（C 4 O 4）（ H 2 O）3]·H 2 O} N（1），聚类[【Diaqua（μ-1,2-二氧杂环-3-eNE-1,2-二奥拉酸盐）锶]，{[SR（C 4 O 4）（H 2 O）2]·H 2 O} N（2），和聚[Triaqua（μ-1,2-二氧杂环-3-eNE-1,2-二奥拉酸盐）钡/锶（0.85 /报道，0.15），单水合物]，{[Ba 0.85 SR 0.15（C 4 O 4）（H 2 O）3]·H 2 O} N（3）。它们的晶体结构的研究表明所有复合物在三级空间组p中结晶。复合物1和3具有通过单齿O原子配位的平分酸盐单元的罕见组合，以两种不同的金属原子，并通过两只二齿O原子到三种不同的金属原子。此外，它们具有三个协调的水分子，以提供九个的协调数量。复合物2中的平分配体表现出两种不同的配位模式：（i）单常规O原子与四种不同的Sr原子和（II）两个单齿O原子配位两种不同的金属原子，其中两种不同的两个O原子二齿至四个不同的Sr原子。所有化合物在加热至800℃时，将各自的碳酸盐分解为，如热重率/差分热分析（TG-DTA）所证明，其是纳米颗粒的簇。复合物1和3分别在811和820℃下分别显示出额外的吸热峰，表明从正交（α-pmcn）到三角相（β-R 3m）的Baco 3的相转变。所有三种复合物都具有显着的DNA结合常数，范围从2.45×10 4到9.41×10 4？ m？1对eB-CT（溴化乙锭-Calf胸腺）DNA和蛋白质结合常数，范围为1.1×10 5至8.6×10 5与牛血清白蛋白。络合物的体外细胞毒性由IC 50值表示，其范围为128.8至261.3Ω·μg×1。复合物3显示更好的BSA结合，抗氧化活性，抵抗DPPH自由基和细胞毒性而不是复合物1和2。

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