Syntheses, crystal structures and photo physical aspects of azido-bridged tetranuclear cadmium (II) complexes: DFT/TD-DFT, thermal, antibacterial and anti-biofilm properties

Majumdar, Dhrubajyoti; Dey, Swapan; Sreejith, S. S.; Mondal, Monojit; Shukla, Pooja; Das, Sourav; Pal, Tapan Kumar; Das, Dhiraj; Bankura, Kalipada; Mishra, Dipankar

doi:10.1016/j.molstruc.2018.11.010

Cited by 31 publications

(19 citation statements)

References 111 publications

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“… b Crystallographic data of [Cd (phen) 2 (SO 4 )H 2 O]cnge•5H 2 O complex taken from Majumdar et al 15 …”

Section: Resultsmentioning

confidence: 99%

“…aureus , with a marked potentiation for the last one 14 . The antimicrobial (antibacterial and antifungal) properties of Cd (II)‐salen‐type Schiff bases complexes were assessed 15 . The same group studied the antimicrobial and anticancer action (against A549 and Panc‐1 cell lines) of thiocyano and azide Cd complexes with the Schiff bases 16 .…”

Section: Introductionmentioning

confidence: 99%

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Computational studies, antimicrobial activity, inhibition of biofilm production, and safety profile of the cadmium complex of 1,10‐phenanthroline and cyanoguanidine

Falkievich

Medina

Alegre

et al. 2022

Applied Organom Chemis

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We have previously determined the crystal structure of the metal complex [Cd (1,10-phenanthroline) 2 (SO 4 )H 2 O]cyanoguanidine•5H 2 O that was characterized by spectroscopic measurements. The antibacterial activity was also determined by the agar diffusion test (zones of inhibition). In the present work, calculations based on density functional theory were performed to determine the contributions of the two different tautomers of cyanoguanidine to the vibrational IR and Raman experimental spectra. Moreover, the antimicrobial (antibacterial and antifungal) activity of the complex and cadmium ion was assessed and the minimum inhibitory concentration (MIC) was determined.The complexation increased the antimicrobial activity against Pseudomonas aeruginosaATCC 27853 and inhibited the biofilm production of this pathogen.Antimicrobial studies were coupled with the evaluation of safety, using the Artemia salinaand Ames test. At the concentrations tested, the cadmium complex behaved as a non-mutagenic and non-toxic compound. Therefore, the interaction of cadmium (II) with N and O-containing ligands may provide a promising strategy for the development of novel and safe drugs with antimicrobial activity.

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“… b Crystallographic data of [Cd (phen) 2 (SO 4 )H 2 O]cnge•5H 2 O complex taken from Majumdar et al 15 …”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Computational studies, antimicrobial activity, inhibition of biofilm production, and safety profile of the cadmium complex of 1,10‐phenanthroline and cyanoguanidine

Falkievich

Medina

Alegre

et al. 2022

Applied Organom Chemis

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“…Salen-based ligands were obtained following the literature method. 11,12,61 H 2 L 1 . The standard protocol was used to synthesize this type of ligand.…”

Section: Synthesis Of Ligandsmentioning

confidence: 99%

“…The two trendy Salen ligands were synthesized using a previous literature method (Scheme 1). 11,12,61 The two complexes containing the Salen ligands are iso-structural, and SCN − co-ligands were prepared in moderate yields by a self-assembly in situ procedure (Scheme 1). Generally, a methanol solution of the two Salen ligands was treated with Cd(OAc) 2 $2H 2 O in sodium thiocyanate, which produces isostructural complexes aer solvent evaporation at room temperature.…”

Section: Synthetic Perspectivementioning

confidence: 99%

“…Consequently, SCN − ligand-derived CPs with intriguing architectural frameworks have recently attracted much attention in coordination chemistry (Scheme S1A and B †). [11][12][13][14][15][16][17][18][19][20][21][22] The attraction is due to the diverse bonding functionalities in their X-ray crystal structures. In this way, the fruitful synthesis of CPs using compartmentalized N 2 O 4 scaffolds stands out due to its convenient synthesis, product stability, and versatility.…”

Section: Introductionmentioning

confidence: 99%

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The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering

Majumdar¹,

Roy

Frontera

2022

RSC Adv.

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Syntheses, characterizations, crystal structures, DFT/TD‐DFT, luminescence behaviors and cytotoxic effect of bicompartmental Zn (II)‐dicyanamide Schiff base coordination polymers: An approach to apoptosis, autophagy and necrosis type classical cell death

Majumdar

Agrawal

Thomas³

et al. 2019

Applied Organom Chemis

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Two new Zn (II)‐dicyanamide (dca) 1‐D chain coordination polymers (CPs), [Zn (LOMe)(μ1‐dca)(μ1,5‐dca)]n (1) and [Zn (LOEt)(μ1‐dca)(μ1,5‐dca)]n (2) have been successfully synthesized from bicompartmental Schiff base ligands N,N′‐Bis(3‐methoxysalicylidenimino)‐1,3‐diaminopropane (H2LOMe), N,N′‐Bis(3‐ethoxysalicylidenimino)‐1,3‐diaminoproane (H2LOEt) respectively and structurally characterized using various spectroscopic protocols like 1H NMR, IR, Raman, UV–Vis, fluorescence as well as elemental analysis, TGA, PXRD and SCXRD studies. X‐ray single crystal study revealed that both the complexes have two different geometrical arrangement of Zn metal centres with distorted square pyramidal Zn(2) and trigonal prismatic geometry Zn(1). Ab‐initio DFT (Density functional theory) has been executed at B3LYP (Becke, 3‐parameter, Lee‐Yang‐Parr) using DGDVP (Diffuse gradient double valence polarised) basis set to explain FMO (Frontier molecular orbital), TD‐DFT (Time‐dependent density functional theory) and photovoltaic efficiency in Dye Sensitized Solar Cell (DSSC). Hirshfeld surface (HS) and 2D fingerprint plot analyses are shed more light on the non‐covalent supramolecular interactions. The steady state and time‐resolved fluorescence measurements have been conducted in DMSO and solid‐state. CPs exhibited bi‐exponential decay in DMSO as well as solid‐state where fluorescence behaviors are mainly intra‐ligand (π → π*) in nature with lifetimes in the range (1.11–1.06 ns). In particular, in vitro cytotoxic activities were evaluated towards MCF7 (breast cancer) cell line, MDA‐MB‐231 (breast carcinoma) cell line and MCF10A (breast epithelial) cell line using MTT assay. CP1 had lower cytotoxic effect against MCF7 (20 μM), MDA‐MB‐231 (15 μM) cell lines in comparison with cisplatin (42.2 ± 8, 128.2 ± 7 μM). CP1 induced classical cell death apoptosis, autophagy and necrosis. Lower IC50 value of CP1 against MDA‐MB‐231 cell line provide new insights in the development of cancer therapeutics.

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Syntheses, crystal structures and photo physical aspects of azido-bridged tetranuclear cadmium (II) complexes: DFT/TD-DFT, thermal, antibacterial and anti-biofilm properties

Cited by 31 publications

References 111 publications

Computational studies, antimicrobial activity, inhibition of biofilm production, and safety profile of the cadmium complex of 1,10‐phenanthroline and cyanoguanidine

Computational studies, antimicrobial activity, inhibition of biofilm production, and safety profile of the cadmium complex of 1,10‐phenanthroline and cyanoguanidine

The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering

Syntheses, characterizations, crystal structures, DFT/TD‐DFT, luminescence behaviors and cytotoxic effect of bicompartmental Zn (II)‐dicyanamide Schiff base coordination polymers: An approach to apoptosis, autophagy and necrosis type classical cell death

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