Morphologically controlled eco-friendly synthesis of a novel 2D Hg(II) metal-organic coordination polymer: Biological activities and DFT analysis

Mehrabadi, Zohreh; Ahmadi, Sara; Gutiérrez, Ángel; Karimi, Mehdi; Hayati, Payam; Sharafi-Badr, Paria; Moaser, Azra Ghiasi; Rostamnia, Sadegh; Hasanzadeh, Amir; Khaksar, Samad; Rouhani, Shamila; Msagati, Titus A.M.

doi:10.1016/j.molstruc.2020.129335

Cited by 15 publications

(3 citation statements)

References 65 publications

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“…Becke’s three-parameter hybrid (B3LYP) level was chosen for DFT calculation by the basis set of 6-31G (d, p) for the C, H, O, and N atoms, , and DFT-D3 dispersion correction was performed on it, whereas Cu atoms were calculated using the LANL2DZ basis set. , The atomic coordinates utilized in the computation are derived from crystallographic data, and the initial model is a molecule from the unit cell. The Gaussian 09 application is used to execute all computations on a colored computer …”

Section: Methodsmentioning

confidence: 99%

Fabrication of Substituent-Regulated Two-Dimensional Copper-Based Coordination Polymers as Urease Inhibitors

Duan,

Li,

Yan

et al. 2024

Crystal Growth & Design

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This article reports the design and synthesis of two copper-based coordination polymers (Cu-CPs) constructed from mixed ligands containing a bis-pyridine-bis-amide group and trimellitic acid. By using substituent-regulated acids, the simplified two-dimensional (2D) double layers for the Cu-CP-1 and Cu-CP-2 possess different grid windows, which can be served as a kind of urease inhibitors (UIs) and their inhibition mechanisms were explored in details. The results show that both Cu-CPs exhibited good urease inhibitory activity, and the inhibitory activities of all derivatives were higher than that of the standard thio urea, with UI-2 exhibiting better urease inhibitory performance. To better understand the potential mechanism of urease inhibition by these CPs, enzyme kinetics analysis was performed using Lineweaver− Burk (L−B) plots at different inhibitor concentrations, which indicated that UI-1 and UI-2 exhibited noncompetitive inhibitory nature. Additionally, molecular docking confirmed the binding interactions of UI-1 and UI-2 with the active site of urease. The urease inhibition experiments were successfully verified, and the effects of the structures of CPs on urease inhibition were measured through DFT calculations.

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Section: Methodsmentioning

confidence: 99%

Fabrication of Substituent-Regulated Two-Dimensional Copper-Based Coordination Polymers as Urease Inhibitors

Duan,

Li,

Yan

et al. 2024

Crystal Growth & Design

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show abstract

“…In modern society, polymers assume a significant job in our daily life, which are widely used in fields of packaging, 1 automotive, 2 building 3 and industrial catalysis. [4][5][6][7][8] However, while polymers are widely used, the pollution caused by polymers waste is becoming increasingly severe. It is estimated that there are 34 million tonnes of polymers waste generated annually, and only 7% of those are recycled while 93% being discarded as land or ocean fills.…”

Section: Introductionmentioning

confidence: 99%

“…In modern society, polymers assume a significant job in our daily life, which are widely used in fields of packaging, 1 automotive, 2 building 3 and industrial catalysis 4–8 . However, while polymers are widely used, the pollution caused by polymers waste is becoming increasingly severe.…”

Section: Introductionmentioning

confidence: 99%

Preparation of rigidity toughness balance and stable poly(glycolic acid) based on chain extension reaction

Chen,

Meng,

Xin

et al. 2023

J of Applied Polymer Sci

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As a completely degradable material, poly(glycolic acid) (PGA) has excellent rigidity, barrier properties, degradability and biocompatibility. However, the inherent brittleness and easily hydrolysable characteristics limit its widespread application. Herein, we introduced chain extension ADR to modify PGA to ameliorate these defects. The results showed that ADR could react with PGA to form “comb‐like” and “cross‐linked” chain extension structures resulting in the improvement of complex viscosity and formation of gel. Because of the chain entanglement of chain extension structures, the toughness of modified PGA was improved (which was verified by the impact strength value of 4.3 kJ/m2 that was about 126% of virgin PGA) without sacrificing its rigidity. Furthermore, the hydrolysis results indicated that the representative PGA/1.0ADR had better hydrolysis stability, it had more complete morphology and slower degradation rate than virgin PGA in the 17‐day hydrolysis experiment. Apart from better toughness and hydrolysis stability, there was also improvements in crystallization performance, the sample PGA/1.0ADR endowed with higher crystallization peak temperature (2.3°C higher than virgin PGA) and lower crystallization activation energy. In short, this work prepared a kind of modified PGA with rigidity toughness balance and better hydrolysis stability, which could expand the application range of PGA‐based materials.

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Application of nanoscale metal-organic coordination polymers in cancer therapy

Yu,

Li,

Wang

et al. 2024

Chemical Engineering Journal

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Morphologically controlled eco-friendly synthesis of a novel 2D Hg(II) metal-organic coordination polymer: Biological activities and DFT analysis

Cited by 15 publications

References 65 publications

Fabrication of Substituent-Regulated Two-Dimensional Copper-Based Coordination Polymers as Urease Inhibitors

Fabrication of Substituent-Regulated Two-Dimensional Copper-Based Coordination Polymers as Urease Inhibitors

Preparation of rigidity toughness balance and stable poly(glycolic acid) based on chain extension reaction

Application of nanoscale metal-organic coordination polymers in cancer therapy

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