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• W2958506070 abstract "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 overline{1}. 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 ." @default.
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• W2958506070 date "2019-07-09" @default.
• W2958506070 modified "2023-10-16" @default.
• W2958506070 title "New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies" @default.
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• W2958506070 doi "https://doi.org/10.1107/s2053229619009082" @default.
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