Mixed ligand complexes: Synthesis, characterization and antibacterial activity investigation

Hossain, Md. Selim; Nasira, Saiyad; Uddin, Nayon; Ashrafuzzaman, Md.; Habib, Md. Ahsan; Rashid, Md. Al Mamunur; Haque, M. M.

doi:10.22271/chemi.2020.v8.i1d.8267

Cited by 7 publications

(9 citation statements)

References 10 publications

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“…Mixed-ligand complexation has received intensive study and is the basis for biochemistry and chemical synthesis applications. − Some mixed-ligand complexes, such as Cu(HS)Cl – and Au(NH 3 )(OH), may play important roles in the transport of metals in hydrothermal fluids. , Watenphul et al concluded that CrCl x (H 2 O) y (OH) z 3 – x – z complexes ( x < 3; CN ≤ 6) are likely predominant in solutions with low activity of Cl – . Mixed ligand complexes of Zn, Au, Y, and Sn coordinated with OH – and Cl – or OH – and HS – are predominant in near-neutral to alkaline solutions. ,,− Mixed sulfide-hydroxide complexes including Cd(OH)S – , Zn(OH)(HS), and Zn(OH)(HS) 2 – were proposed to be formed in reduced and alkaline conditions. , However, Dyrssen found limited experimental support for such complexes.…”

Section: Discussionmentioning

confidence: 99%

Speciation and Thermodynamic Properties of Pb-HS Complexes in Sulfur-Rich Hydrothermal Fluids: Insights from Ab Initio Molecular Dynamics Simulations

Wu,

Liu,

Dick

et al. 2023

ACS Earth Space Chem.

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The speciation and thermodynamic properties of Pb(II) complexes with different ligands in aqueous solutions are critical for understanding Pb mineralization in the crust and Pb pollution in soil and groundwater. Although HS − is an important ligand for Pb(II) in hydrothermal solutions, little is known about the structure and thermodynamic properties of Pb(II)−HS complexes, especially at temperatures higher than 350 °C. In this study, we applied ab initio molecular dynamics (AIMD) simulations to investigate the speciation and geometrical properties of different Pb(II)−HS complexes in sulfur-rich solutions from ambient to magmatic-hydrothermal conditions (25−600 °C, 1−2000 bar). The AIMD simulations show that Pb(II)−HS complexes are coordinated with 2 or 3 H 2 O molecules to form a 4-fold saddle-like structure at 25 °C and then transform into a 3-fold pyramidal structure at temperatures ≥200 °C. The complexes Pb(HS) 3 − , Pb(HS) 2 (H 2 O), and Pb(HS) 2 (OH) − are predominant in sulfur-rich solutions. The mixed−ligand complex Pb(HS) 2 (OH) − has not been described in previous studies, but we found that it is stable at high temperatures. In addition, the formation constants (log K) of different Pb(II)−HS complexes were calculated by thermodynamic integration simulations at 200−600 °C and 20−2000 bar. The calculated log K values are in good agreement with the theoretical and experimental data. Furthermore, the log K values were extrapolated to a wide range of temperatures and pressures based on the modified Ryzhenko−Bryzgalin model. The newly obtained thermodynamic data were used for thermodynamic modeling. The results demonstrate that Pb(HS) 2 (OH) − is dominant in high-temperature hydrothermal solutions with low sulfur concentration and high pH (>7). These results provide new insight into the complexation behavior of Pb(II) in sulfur-rich solutions.

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Section: Discussionmentioning

confidence: 99%

Speciation and Thermodynamic Properties of Pb-HS Complexes in Sulfur-Rich Hydrothermal Fluids: Insights from Ab Initio Molecular Dynamics Simulations

Wu,

Liu,

Dick

et al. 2023

ACS Earth Space Chem.

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“…According to recent research, mixed ligand complexes play an important function in biological systems 1 , the main method for adjusting the properties of transition metal ions to achieve the intended applications involves the use of various ligands with different structures and properties 2 . The mixed ligand complexes can be di ligand, tri ligand, tetra ligand, or multi ligand complexes depending on the number of ligands linked to the metal ion.…”

Section: Introductionmentioning

confidence: 99%

Mixed ligand complex: Synthesis, characterization, and investigation of biomedical activity

Mousa,

Al-Abdaly

2024

Baghdad Sci.J

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تحضيرمركب جديد, تم تحضير معقد النحاس الجديد عن طريق تفاعل CuCl2.2H2O مع الميلاتونين وأحد الأحماض الأمينية (L-cysteine) بنسبة مولية (M:L1:L2) (1:1:1), وتم تشخيص المعقد بواسطة طرق طيفية تتضمن الأشعة تحت الحمراء (FT-IR) والرنين النووي المغناطيسي للبروتون (1H-NMR) والتحليل الحراري (TG) والامتصاص الذري اللهبي (AAS)، وتحليل العناصرالدقيق (CHNS)، وكذلك قياس درجة الانصهار (m.p) وتقديرمحتوى الكلوريد. من معطيات الطرق الطيفية المشاراليها آنفا تشيرالى أن الشكل الهندسي المقترح للمعقد هو ثماني السطوح. أظهرت قياسات التوصيل الكهربائي والمغناطيسية بأن معقد النحاس غيرالكتروليتي وذي صفة بارامغناطيسية. تم فحص فعالية تركيز المعقد المحضر كعامل مضاد للبكتيريا من نوع Escherichia coli (G)و Staphylococcus aureus (G+) ومضاد للفطريات (fungus Candida) حيث اظهر المعقد فعالية افضل من الليكاندين وتم اختبارخاصيته كمضاد للسرطان.

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“…Mixed ligand complexes were derived from acid (phthalic, oxalic, or succinic) which mixed with heterocyclic bases to prepare Zn(II) and Cd(II) mixed-ligand complexes. Such complexes were investigated to characterize their tetrahedral geometry and then their antimicrobial activity was evaluated versus different bacteria . Quercetin and diimine ligands were mixed to isolate some bivalent metal ion complexes.…”

Section: Introductionmentioning

confidence: 99%

“…Such complexes were investigated to characterize their tetrahedral geometry and then their antimicrobial activity was evaluated versus different bacteria. 9 Quercetin and diimine ligands were mixed to isolate some bivalent metal ion complexes. These complexes were screened versus cancer cell lines and the mixed ligand Cu(II) complex showed the most toxic activity toward breast cancer cell.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and Characterization of New Mixed-Ligand Complexes; Density Functional Theory, Hirshfeld, and In Silico Assays Strengthen the Bioactivity Performed In Vitro

et al. 2023

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N′-Acetyl-2-cyanoacetohydrazide (H2L1) and 2-cyano-N-(6-ethoxybenzo thiazol-2-yl) acetamide (HL2) ligands were used to synthesize [Cr(OAc)(H2L1)(HL2)]·2(OAc) and [Mn(H2L1)(HL2)]·Cl2·2H2O as mixed ligand complexes. All new compounds were analyzed by analytical, spectral, and computational techniques to elucidate their chemical formulae. The bidentate nature was suggested for each coordinating ligand via ON donors. The electronic transitions recorded are attributing to 4A2g(F) → 4T2g(F)(υ2) and 4A2g(F) → 4T1g(F)(υ3) types in the octahedral Cr(III) complex, while 6A1 → 4T2(G) and 6A1 → 4T1(G) transitions are attributing to the tetrahedral Mn(II) complex. These complexes were optimized by the density functional theory method to verify the bonding mode which was suggested via N(3), O(8), N(9), and N(10) donors from the mixed-ligands. Hirshfeld crystal models were demonstrated for the two ligands to indicate the distance between the functional groups within the two ligands and supporting the exclusion of self-interaction in between. Finally, the biological activity of the two mixed ligand complexes was tested by in silico ways as well as in vitro ways for confirmation. Three advanced programs were applied to measure the magnitude of biological efficiency of the two complexes toward kinase enzyme (3nzs) and breast cancer proliferation (3hy3). All in silico data suggest the superiority of the Mn(II) complex. Moreover, the in vitro assays for the two complexes that measure their antioxidant and cytotoxic activity support the distinguished activity of the Mn(II) complex.

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Mixed ligand complexes: Synthesis, characterization and antibacterial activity investigation

Cited by 7 publications

References 10 publications

Speciation and Thermodynamic Properties of Pb-HS Complexes in Sulfur-Rich Hydrothermal Fluids: Insights from Ab Initio Molecular Dynamics Simulations

Speciation and Thermodynamic Properties of Pb-HS Complexes in Sulfur-Rich Hydrothermal Fluids: Insights from Ab Initio Molecular Dynamics Simulations

Mixed ligand complex: Synthesis, characterization, and investigation of biomedical activity

Synthesis and Characterization of New Mixed-Ligand Complexes; Density Functional Theory, Hirshfeld, and In Silico Assays Strengthen the Bioactivity Performed In Vitro

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