This study used an organophoto-oxidative material to degrade the toxic azo dye, methylene blue (MB), due to its hazardous effects on aquatic life and humans. MB is traditionally degraded using metal-based catalysts, resulting in high costs. Several organic acids were screened for organo-photooxidative applications against various azo dyes, and ascorbic acid (AA), also known as vitamin C, was found to be best for degradation due to its high photooxidative activity. It is an eco-friendly, edible, and efficient photooxidative material. A photocatalytic box has been developed for the study of organo-photooxidative activity. It was found that when AA was added, degradation efficiency increased from 42 to 95% within 240 min. Different characterization techniques, such as HPLC and GC-MS, were used after degradation for the structural elucidation of degraded products. DFT study was done for the investigation of the mechanistic study behind the degradation process. A statistical tool, RSM, was used for the optimization of parameters (concentration of dye, catalyst, and time). This study develops sustainable and effective solutions for wastewater treatment.
Escherichia coli biofilms are a major cause of gastrointestinal tract diseases, such as esophageal, stomach and intestinal diseases. Nowadays, these are the most commonly occurring diseases caused by consuming contaminated food. In this study, we evaluated the efficacy of probiotics in controlling multidrug-resistant E. coli and reducing its ability to form biofilms. Our results substantiate the effective use of probiotics as antimicrobial alternatives and to eradicate biofilms formed by multidrug-resistant E. coli. In this research, surface enhanced Raman spectroscopy (SERS) was utilized to identify and evaluate Escherichia coli biofilms and their response to the varying concentrations of the organometallic compound bis(1,3-dihexylimidazole-2-yl) silver(i) hexafluorophosphate (v). Given the escalating challenge of antibiotic resistance in bacteria that form biofilms, understanding the impact of potential antibiotic agents is crucial for the healthcare sector. The combination of SERS with principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) enabled the detection and characterization of the biofilm, providing insights into the biochemical changes induced by the antibiotic candidate. The identified SERS spectral features served as indicators for elucidating the mode of action of the potential drug on the biofilm. Through PCA and PLS-DA, metabolic variations allowing the differentiation and classification of unexposed biofilms and biofilms exposed to different concentrations of the synthesized antibiotic were successfully identified, with 95% specificity, 96% sensitivity, and a 0.75 area under the curve (AUC). This research underscores the efficiency of surface enhanced Raman spectroscopy in differentiating the impact of potential antibiotic agents on E. coli biofilms.
In the current study, surface-enhanced Raman scattering (SERS) was performed to evaluate the antibacterial activity of lab-synthesized drug (1-isopentyl-3-pentyl-1H-imidazole-3-ium bromide salt) and commercial drug tinidazole againstBacillus subtilis. The changes in SERS spectral features were studied for unexposed bacillus and exposed one with various dosages of drug synthesized in the lab (1-isopentyl-3-pentyl-1H-imidazole-3-ium bromide salt), and SERS bands were assigned associated with the drug-induced biochemical alterations in bacteria. Multivariate data analysis tools including principal component analysis (PCA) and partial least-squares discriminant analysis (PLS-DA) have been utilized to analyze the antibacterial activity of the imidazole derivative (lab drug). PCA was employed in differentiating all the SERS spectral data sets associated with the various doses of the lab-synthesized drug. There is clear discrimination among the spectral data sets of a bacterial strain treated with different concentrations of the drug, which are analyzed by PLS-DA with 86% area under the curve in receiver operating curve (ROC), 99% sensitivity, 100% accuracy, and 98% specificity. Various dominant spectral features are observed with a gradual increase in the different concentrations of the applied drug including 715, 850, 1002, 1132, 1237, 1396, 1416, and 1453 cm-1, which indicate the possible biochemical changes caused in bacteria during the antibacterial activity of the lab-synthesized drug. Overall, the findings show that imidazole and imidazolium compounds generated from tinidazole with various alkyl lengths in the amide substitution can be effective antibacterial agents with low cytotoxicity in humans, and these results indicate the efficiency of SERS in pharmaceuticals and biomedical applications.
This review presents a comprehensive evaluation for the manufacture of organic molecules via efficient microfluidic synthesis. Microfluidic systems provide considerably higher control over the growth, nucleation, and reaction conditions compared with traditional large-scale synthetic methods. Microfluidic synthesis has become a crucial technique for the quick, affordable, and efficient manufacture of organic and organometallic compounds with complicated characteristics and functions. Therefore, a unique, straightforward flow synthetic methodology can be developed to conduct organic syntheses and improve their efficiency.
In the present study, Raman spectroscopy (RS) along with density functional theory (DFT) calculations have been performed for the successful characterization and confirmation of the formation of three different selenium-based N-heterocyclic carbene (NHC) complexes from their respective salts. For this purpose, mean RS features and DFT calculations of different ligands and their respective selenium NHC complexes are compared. The identified characteristic RS and DFT features, of each of these ligands and their selenium complexes, show that the polarizability of benzimidazolium rings increases after complex formation with selenium. This has been shown by the enhanced intensity of the associated Raman peaks, therefore, confirming the formation of newly formed bonds. The complex formation is also confirmed by the identification of several new peaks in the spectra of complexes and these Raman bands were absent in the spectra of the ligands. Moreover, Raman spectral data sets are analyzed using a multivariate data analysis technique of Principal Component Analysis (PCA) to observe the efficiency of the RS analysis. The results presented in this study have proved the RS technique, along with DFT, an undoubtedly fast approach for the confirmation of synthesis of selenium based NHC-complexes.
In the present research work, a selenium N-heterocyclic carbene (Se-NHC) complex/adduct was synthesized and characterized by using different analytical methods including FT-IR, 1HNMR, and 13CNMR. The antifungal activity of the Se-NHC complex against Aspergillus flavus (A. flavus) fungus was investigated with disc diffusion assay. Moreover, the biochemical changes occurring in this fungus due to exposure of different concentrations of the in-house synthesized compound are characterized by surface-enhanced Raman spectroscopy (SERS) and are illustrated in the form of SERS spectral peaks. SERS analysis yields valuable information about the probable mechanisms responsible for the antifungal effects of the Se-NHC complex. As demonstrated by the SERS spectra, this Se-NHC complex caused denaturation and conformational changes in the proteins as well as decomposition of the fungal cell membrane. The SERS spectra were analyzed using two chemometric tools such as principal component analysis (PCA) and partial least-squares discriminant analysis (PLS-DA). The fungal samples' SERS spectra were differentiated using PCA, while various groups of spectra were discriminated with ultrahigh sensitivity (98%), high specificity (99.7%), accuracy (100%), and area under the receiver operating characteristic curve (87%) using PLS-DA.
N-heterocyclic carbene (NHC) based compounds are remarkably known for astonishing biological potentials. Coordination of metal center with these compounds can substantially improve the biological potential for better efficacy. In this context, three binuclear azolium salts (L1-L3) and subsequent selenium adducts L1Se-L3Se were synthesized and assured through analytical techniques. Synthesized compounds were also simulated through computational approach and results were compared with experimental observations that also relatable with biological potentials. Synthesized compounds were screened against bacterial strains and interestingly, the studied compounds showed good antimicrobial potential with MIC values of 7.01, 10.7 and 10.5 µM for S. Aureus (gram positive bacteria) while 12.5, 11.75 and 14.5 µM against E. Coli (gram negative bacteria). The studied compounds showed good antioxidant activity to scavenge DPPH free radicals among which azolium salts were found better in antioxidant potential (IC50 5.75-6.55 µg/mL) than their respective selenium compounds (IC50 9.50-12.75 µg/mL). The hemolytic assay against red blood cells showed that ligands are least toxic comparative to their Se-adducts and can be further trialed for In Vivo studies.
Heterocyclic Compounds , Organoselenium Compounds , Anti-Bacterial Agents/pharmacology , Anti-Bacterial Agents/chemistry , Organoselenium Compounds/pharmacology , Escherichia coli , Staphylococcus aureus , Salts , Heterocyclic Compounds/pharmacology , Heterocyclic Compounds/chemistry , Microbial Sensitivity Tests
BACKGROUND: Azolium salts are the organic salts used as stable precursors for generating N-Heterocyclic Carbenes and their metal complexes. Azolium salts have also been reported to have significant biological potential. Hence, in the current study, four tetra-dentate azolium salts were derived from bis-azolium salts by a new synthetic strategy. METHODS: The tetra azolium salts have been synthesized by reacting the imidazole or methyl imidazole with dibromo xylene (meta, para)/ 1-bromo methyl imidazole or dibromo ethane resulting in the mono or bis azolium salts namely I-IV. V-VII have been obtained by reacting I with II-IV, resulting in the tetra azolium salts. Each product was analyzed by various analytical techniques, i.e., microanalysis, FT-IR, and NMR (1H & 13C). Salts V-VII were evaluated for their antiproliferative effect against human colon cancer cells (HCT-116) using MTT assay. RESULTS: Four chemical shifts for acidic protons between 8.5-9.5 δ ppm in 1H NMR and resonance of respective carbons around 136-146 δ ppm in 13C NMR indicated the successful synthesis of tetra azolium salts. Salt V showed the highest IC50 value, 24.8 µM among all synthesized compounds. CONCLUSION: Tetra-azolium salts may play a better cytotoxicity effect compared to mono-, bi-& tri-azolium salts.
BACKGROUND: Bacterial resistance against antibiotics remains a challenge and Raman Spectroscopy (SERS) may provide critical information concerning this. OBJECTIVES: In the current study, surface enhances Raman spectroscopy (SERS) has been used to determine the biochemical changes induced during the antibacterial activity of the in house synthesized imidazole derivative (1-benzyl-3-(secbutyl)-1H-imidazole-3-ium bromide) in comparison to commercially available drugs (fasygien) against both gram-positive and gram-negative bacteria. METHODS: For this purpose, the antibacterial activity of this compound was assessed on Bacillus subtilis and Escherichia coli. The SERS spectral changes are detected which can be associated with the biochemical changes in the bacterial cells as a result of the application of both drugs, including fasygien and the imidazole derivative drug demonstrating the technique's potential for analyzing the antibacterial activities of drug candidates. RESULTS: The chemometric techniques such as Principal Component Analysis (PCA) and Partial Least Squares-Discriminant Analysis (PLS-DA) were performed for the differentiation of SERS spectral data sets of unexposed, exposed with imidazole derivative and commercially available antibacterial drugs for two different bacteria including E. coli and Bacillus. CONCLUSIONS: PCA was found helpful for the qualitative differentiation of all drug-treated E. coli and Bacillus in the form of separate clusters of spectral data sets and PLS-DA discriminated the unexposed and the exposed bacteria with imidazole derivative and commercially available drug with 93% sensitivity and 96% specificity for Bacillus and with 90% sensitivity and 89% specificity for E. coli.
Bacillus subtilis , Photochemotherapy , Escherichia coli , Anti-Bacterial Agents/pharmacology , Spectrum Analysis, Raman/methods , Bromides , Gram-Negative Bacteria , Photosensitizing Agents , Photochemotherapy/methods , Imidazoles/pharmacology
BACKGROUND: Surface Enhanced Raman Spectroscopy (SERS) is a very promising and fast technique for studying drugs and for detecting chemical nature of a molecule and DNA interaction. In the current study, SERS is employed to check the interaction of different concentrations of n-propyl imidazole derivative ligand with salmon sperm DNA using silver nanoparticles as SERS substrates. OBJECTIVES: Multivariate data analysis technique like principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) are employed for the detailed analysis of the SERS spectral features associated with the mode of action of the imidazole derivative ligand with DNA. METHODOLOGY: Silver nanoparticles were used as a SERS substrate in DNA-drug interaction. Five different concentrations of ligands were interacted with DNA and mix with Ag-NPs as substrate. The SERS spectra of were acquired for all seven samples and processed using MATLAB. Additionally, PCA and PLS-DA were used to assessed the ability SERS to differentiate interaction of DNA-drug. RESULTS: Differentiating SERS features having changes in their peak position and intensities are observed including 629, 655, 791, 807, 859, 1337, 1377 and 1456 cm-1. These SERS features reveal that binding of ligand with DNA is electrostatic in nature, and have specificity to major groove where it forms GC-CG interstrand cross-linking with the DNA double helix. CONCLUSIONS: SERS give significant information regarding to Drug-DNA interaction mechanism, SERS spectra inferred the mode of action of anticancer compound that are imidazole in nature.
Metal Nanoparticles , Photochemotherapy , Animals , Male , Spectrum Analysis, Raman/methods , Metal Nanoparticles/chemistry , Silver/chemistry , Salmon , Ligands , Semen , Photochemotherapy/methods , Photosensitizing Agents , Imidazoles
Surface-enhanced Raman spectroscopy (SERS) is used to identify the biochemical changes associated with the antifungal activities of selenium and zinc organometallic complexes against Aspergillus niger fungus. These biochemical changes identified in the form of SERS peaks can help to understand the mechanism of action of these antifungal agents which is important for development of new antifungal drugs. The SERS spectral changes indicate the denaturation and conformational changes of proteins and fungal cell wall decomposition in complex exposed fungal samples. The SERS spectra of these organometallic complexes exposed fungi are analyzed by using statistical tools like principal component analysis (PCA) and partial least square discriminant analysis (PLS-DA). PCA is employed to differentiate the SERS spectra of fungal samples exposed to ligands and complexes. The PLS-DA discriminated different groups of spectra with 99.8% sensitivity, 100% specificity, 98% accuracy and 86 % area under receiver operating characteristic (AUROC) curve.
Organometallic Compounds , Selenium , Antifungal Agents/pharmacology , Selenium/pharmacology , Zinc/pharmacology , Spectrum Analysis, Raman/methods , Discriminant Analysis , Principal Component Analysis
BACKGROUND: Raman spectroscopy is an effective tool for determining the antibacterial actitivites of organometallic compounds against different bacterial strains. OBJECTIVES: The purpose of current study is to check the anibacterial activites of ligand (3-chlorobenzoic acid) and its respective zinc complex against gram positive and gram-negative bacterial strains by using surface enhanced Raman spectroscopy (SERS). METHODS: The ligand (3-chlorobenzoic acid) and its respective zinc complex caused different biochemical changes in gram-positive and gram-negative bacterial strains such as lipid contents, DNA/RNA contents, proteins contents, peptidoglycan contents and bacterial spore contents which can be observed with different SERS spectral features. Furthermore, PCA was employed for differentiating the mechanism of action of zinc complexes against gram-positive bacterial strain and gram-negative bacterial strain. RESULTS: Surface enhanced Raman spectroscopy (SERS) has been employed for analyzing the antibiotic activities of 3-chlorobenzoic acid ligands and their respective zinc complexes against Escherichia coli (gram-negative) and Bacillus subtilis (gram-positive) bacterial strains. The bioactivity assay and SERS spectral results clearly show that the complex causes more degradation in both bacterial cells (E. coli and B. subtilis) as compared to ligand. Furthermore, PCA was employed for differentiating the mechanism of action of zinc complexes against gram-positive bacterial strain and gram-negative bacterial strain. CONCLUSION: SERS technique along with chemometric tools have successfully differentiated the antibiotic activities of 3-chlorobenzoic acid ligands and their respective zinc complexes against Escherichia coli (gram-negative) and Bacillus subtilis (gram-positive) bacterial strains.
Anti-Bacterial Agents , Photochemotherapy , Anti-Bacterial Agents/pharmacology , Bacteria , Chlorobenzoates , Escherichia coli , Gram-Negative Bacteria , Gram-Positive Bacteria , Ligands , Photochemotherapy/methods , Spectrum Analysis, Raman/methods , Zinc/pharmacology
In this study, Raman spectroscopy is employed to analyze and characterize two salts (N-heterocyclic carbene) and their respective selenium N-heterocyclic carbene compounds. The features observed as differences among Raman spectral data of two different N-heterocyclic carbene salts are called Salt-I and Salt-II and their respective Se compounds, called Compound-I & Compound-II, are used to confirm the formation covalent bond between Se atom carbon atom of carbene. Enhancement in peak intensities and shifting of peak positions is directly related with compound formation. Raman spectral data provide a detail information about bond formation, chemical and structural differences between salts and compounds. The observed Raman spectral features of both salts and compounds are in consistent with computationally calculated Raman spectral features. Raman spectral features of each salt and its respective compound was further analyzed with principal component analysis, which was found helpful for differentiating each salt from its respective compound.
Heterocyclic Compounds , Selenium Compounds , Selenium , Methane/analogs & derivatives , Spectrum Analysis, Raman
Benzimidazolium salts (3-6) were synthesized as stable N-Heterocyclic Carbene (NHC) precursors and their selenium-NHC compounds/Selenones (7-10) were prepared using water as a solvent. Characterization of each of the synthesized compounds was carried out by various analytical and spectroscopic (FT-IR, 1H-, 13C NMR) methods. X-ray crystallographic analyses of single crystals obtained for salts 3 and 5 were carried out. Synthesized salts and their Se-NHCs were tested in-vitro for their anticancer potential against Cervical Cancer Cell line from Henrietta Lacks (HeLa), Breast cancer cell line (MDA-MB-231), Adenocarcinoma cell line (A549) and human normal endothelial cell line (EA.hy926). MTT assay was used for analysis and compared with standard drug 5-flourouracil. Benzimidazolium salts (3-6) and their selenium counter parts (7-10) were found potent anticancer agents. Salt 3-5 were found to be potent anticancer against HeLa with IC50 values 0.072, 0.017 and 0.241 µM, respectively, which are less than standard drug (4.9 µM). The Se-NHCs (7-10) had also shown significant anticancer potential against HeLa with IC50 values less than standard drug. Salts 3, 4 against EA.hy926, compounds 3,5,6, and 10 against MDA-MB-321, and compounds 4, 10 against A-549 cell line were found more potent anticancer agents with IC50 values less than standard drug. Molecular docking for (7-10) showed their good anti-angiogenic potential having low binding energy and significant inhibition constant values with VEGFA (vascular endothelial growth factor), EGF (human epidermal growth factor), COX1 (cyclooxygenase-1) and HIF (hypoxia inducible factor).
Antineoplastic Agents/pharmacology , Chemistry Techniques, Synthetic , Heterocyclic Compounds/pharmacology , Methane/analogs & derivatives , Molecular Docking Simulation , Selenium/pharmacology , Antineoplastic Agents/chemical synthesis , Antineoplastic Agents/chemistry , Cell Proliferation/drug effects , Drug Screening Assays, Antitumor , Heterocyclic Compounds/chemistry , Humans , Ligands , Methane/chemistry , Methane/pharmacology , Selenium/chemistry , Tumor Cells, Cultured
The motive of this study is the rapid increase of industrial and domestic wastewater application for the growth of agricultural crops, which is closely associated with human health. In this study, the accumulation of eight heavy metals (Zn, Cu, Fe, Mn, Pb, Cr, Ni, and Cd) in the edible parts of five different species of common vegetables-cauliflower, bitter gourd, radish, pumpkin, and apple gourd-irrigated by two different water irrigation sources (wastewater/freshwater) grown in Pakistan's industrial and agricultural city Gujranwala and human health risks associated with the consumption of vegetables were evaluated. The mean concentration of each metal (Zn, Cu, Fe, Mn, Pb, Cr, Ni, and Cd) in five selected freshwater irrigated vegetables was observed as 48.91, 38.47, 133, 87.5, 4.62, 0.92, 1.46, and 0.36 mg/kg, respectively, while the mean concentration of each corresponding metal in wastewater irrigated vegetables was found to be 59.2, 49.5, 188, 90.9, 6.08, 2.66, 3.98, and 1.76 mg/kg, respectively. The estimated daily intake of metals (EDI), target health quotient (THQ), hazard index (HI), and target cancer risk (TCR) were computed to assess the impact of a raised level of metals in vegetables on human health. The grand THQ (G-THQ) values of individual freshwater irrigated vegetables were lower than the G-THQ values of individual wastewater irrigated vegetables and the G-THQ values of Cu, Cr, Pb, and Cd were found to be greater than the safety limit in wastewater irrigated vegetables. The HI values were found to be 7.94 and 4.01 for the vegetables irrigated with wastewater and freshwater, respectively. The TCR data reveal adverse carcinogenic risks induced by Ni, Cr, and Cd through the consumption of wastewater irrigated vegetables and Ni and Cd from the consumption of freshwater fed vegetables. The principal component analysis (PCA) to predict the sources of metals and Monte Carlo simulation were conducted to reduce the uncertainty in the data. The results indicate that higher significant health risks (carcinogenic and non-carcinogenic) would be posed to the adult population through the consumption of wastewater irrigated vegetables comparatively.
Fresh Water/chemistry , Metals, Heavy/adverse effects , Vegetables/chemistry , Wastewater/chemistry , Environmental Monitoring , Humans , Metals, Heavy/analysis , Pakistan , Principal Component Analysis , Risk Assessment
Development of novel metallodrugs with pharmacological profile plays a significant role in modern medicinal chemistry and drug design. Metal complexes have shown remarkable clinical results in current cancer therapy. Gold complexes have attained attention due to their high antiproliferative potential. Gold-based drugs are used for the treatment of rheumatoid arthritis. Gold-containing compounds with selective and specific targets are capable to assuage the symptoms of a range of human diseases. Gold (I) species with labile ligands (such as Cl in TEPAuCl) interact with isolated DNA; therefore, this biomolecule has been considered as a target for gold drugs. Gold (I) has a high affinity towards sulfur and selenium. Due to this, gold (I) drugs readily interact with cysteine or selenocysteine residue of the enzyme to form protein-gold(I) thiolate or protein-gold (I) selenolate complexes that lead to inhibition of the enzyme activity. Au(III) compounds due to their square-planner geometriesthe same as found in cisplatin, represent a good source for the development of anti-tumor agents. This article aims to review the most important applications of gold products in the treatment of human colon cancer and to analyze the complex interplay between gold and the human body.
Antineoplastic Agents/pharmacology , Colonic Neoplasms/drug therapy , Organogold Compounds/pharmacology , Antineoplastic Agents/chemistry , Cell Death/drug effects , Cell Proliferation/drug effects , Colonic Neoplasms/metabolism , Colonic Neoplasms/pathology , Humans , Molecular Structure , Organogold Compounds/chemistry
Two meta-xylyl linked tetrakis-benzimidazolium salts (L1-L2) as multidentate ligands and two respective silver complexes (C1 and C2) were synthesized. A multistep reaction was done at room temperature, starting with simple benzimidazole and alkyl halides, going through precursors and salt formation by reflux and finally in situ deprotonation of tetrabenzimidazolium salts with Ag2O to yield respective tetra-nuclear Ag(I)-N-heterocyclic Carbene (NHC) complexes. Propyl and butyl groups were bonded at the terminal positions of tetra-azolium open chain salts. Characterization of compounds was done by analytical and spectroscopic techniques. On the basis of spectroscopic data, a chemical structure with open chains having four Ag(I) ions sandwiched between NHC layers was established. Potential of synthesized complexes (C1 & C2) for wound contraction was evaluated and compared with standard wound contraction gel. Percentage wound contraction of both complexes was found very close to that of standard drug used in parallel.
Benzimidazoles/chemical synthesis , Silver/chemistry , Wound Healing/drug effects , Animals , Benzimidazoles/administration & dosage , Benzimidazoles/chemistry , Benzimidazoles/pharmacology , Disease Models, Animal , Heterocyclic Compounds/administration & dosage , Heterocyclic Compounds/chemical synthesis , Heterocyclic Compounds/chemistry , Heterocyclic Compounds/pharmacology , Molecular Structure , Rabbits , Structure-Activity Relationship
In this study, Raman spectroscopy has been employed for the characterization of two structurally different monodentate N-heterocyclic carbene ligands (ligand-1 and ligand-2) and their respective complexes (complex-1 and complex-2). The Raman spectral features are found helpful for the confirmation of formation of complexes. The significant Raman spectral features are identified for benzimidazole ring with higher intensities in carbene complexes having more polarizability as compared to their ligands, providing the evidence for the formation of coordinate covalent bond. The successful complexation is further supported by using multivariate data analysis technique, Principal Component Analysis (PCA), which is found very helpful to highlight the variability of Raman spectral data of both ligands and their respective metal complexes from each other. Moreover, the coordination of carbene with Ag(I) is confirmed from the dominant spectral markers of higher intensities at 359 cm-1 in complex-1 and 338 cm-1 in complex-2. The effective and reliable characterization and confirmation of metal complexes indicates the potential of Raman spectroscopy for its use for the characterization of the organometallic complexes and other chemical products.
Synthesis and anticancer studies of three symmetrically and non-symmetrically substituted silver(I)-N-Heterocyclic carbene complexes of type [(NHC)2-Ag]PF6 (7-9) and their respective (ligands) benzimidazolium salts (4-6) are described herein. Compound 5 and Ag-NHC-complex 7 were characterized by the single crystal X-ray diffraction technique. Structural studies for 7 showed that the silver(I) center has linear C-Ag-C coordination geometry (180.00(10)o). Other azolium and Ag-NHC analogues were confirmed by H1 and C13-NMR spectroscopy. The synthesized analogues were biologically characterized for in vitro anticancer activity against three cancer cell lines including human colorectal cancer (HCT 116), breast cancer (MCF-7), and erythromyeloblastoid leukemia (K-562) cell lines and in terms of in vivo acute oral toxicity (IAOT) in view of agility and body weight of female rats. In vitro anticancer activity showed the values of IC50 in range 0.31-17.9 µM in case of K-562 and HCT-116 cancer cell lines and 15.1-35.2 µM in case of MCF-7 while taking commercially known anticancer agents 5-fluorouracil, tamoxifen, and betulinic acid which have IC50 values 5.2, 5.5, and 17.0 µM, respectively. In vivo study revealed vigor and agility of all test animals which explores the biocompatibility and non-toxicity of the test analogues.
Antineoplastic Agents/pharmacology , Methane/analogs & derivatives , Silver/pharmacology , Animals , Antineoplastic Agents/chemistry , Benzimidazoles/chemistry , Drug Screening Assays, Antitumor , Female , HCT116 Cells , Humans , Inhibitory Concentration 50 , K562 Cells , Ligands , MCF-7 Cells , Magnetic Resonance Spectroscopy , Male , Methane/chemistry , Methane/pharmacology , Molecular Structure , Rats , Silver/chemistry , Spectroscopy, Fourier Transform Infrared , Structure-Activity Relationship , X-Ray Diffraction
In this study Raman spectroscopy is employed for the characterization of two different ligands called as S1 and S2 and their respective co-ordinate complexes called C1 and C2. Specific Raman spectral signatures are observed for each of these Silver(I)-N-heterocyclic carbene complexes Ag(I)-(NHCs), which can be associated with the imidazolium ring, part of both of the ligands, indicating the formation of new coordinate covalent bond. For the detailed analysis, Raman spectral data of these ligands and complexes is analyzed by multivariate data analysis technique, Principal Component Analysis (PCA) which is found very helpful to differentiate two ligands and complexes from each other. The significant Raman peaks with higher intensities in the complexes as compared to the respective ligands are associated with imidazole ring which can be attributed to the enhanced polarizability of this ring on complex formation. Moreover, the spectral features associated with (AgC) bond are observed with higher intensity at 360 in (C1) and 383 in (C2). This study indicates the potential of Raman spectroscopy for the characterization and confirmation of formation of organometallic complexes and other chemical products.
