“…In this paper, we report the synthesis of mono-azo chromophores by diazotization of aromatic amines by using various coupling components. [31,32] The structures of the synthesized dyes were con rmed by spectral analysis. Computational studies are performed to understand the relationship between the HOMO-LUMO gap.…”
Novel Azo-linked substituted sulfonamides were synthesized via diazo coupling reactions and characterized by FT-IR, UV-vis, HR-MS and 1H NMR spectroscopic techniques. The newly synthesized compounds were examined for their in vitro antibacterial activity against Staphylococcus aureus and Escherichia coli strains using the disc-agar diffusion method, the dye F1 exhibited more zone inhibition 25mm in the concentration 75µl/ml in gram-negative bacteria when compared with common antibiotic Ciprofloxacin. The photophysical properties was estimated using DFT-B3LYP-6-31 + G (d) basis set. The correlation between the HOMO LUMO energy gap and antibacterial activity was investigated computationally. Additionally, in silico molecular docking was carried out. Among four compounds, compound F2 has the highest binding energy against cyclin dependent kinase (ΔGb = -9.8 kcal/mol).
“…In this paper, we report the synthesis of mono-azo chromophores by diazotization of aromatic amines by using various coupling components. [31,32] The structures of the synthesized dyes were con rmed by spectral analysis. Computational studies are performed to understand the relationship between the HOMO-LUMO gap.…”
Novel Azo-linked substituted sulfonamides were synthesized via diazo coupling reactions and characterized by FT-IR, UV-vis, HR-MS and 1H NMR spectroscopic techniques. The newly synthesized compounds were examined for their in vitro antibacterial activity against Staphylococcus aureus and Escherichia coli strains using the disc-agar diffusion method, the dye F1 exhibited more zone inhibition 25mm in the concentration 75µl/ml in gram-negative bacteria when compared with common antibiotic Ciprofloxacin. The photophysical properties was estimated using DFT-B3LYP-6-31 + G (d) basis set. The correlation between the HOMO LUMO energy gap and antibacterial activity was investigated computationally. Additionally, in silico molecular docking was carried out. Among four compounds, compound F2 has the highest binding energy against cyclin dependent kinase (ΔGb = -9.8 kcal/mol).
“…Moreover, Chromene derivatives are an essential class of oxygen-containing heterocyclic compounds that have attracted researcher's attention because of their applications in pigments, cosmetics, and agrochemicals, and their wide range of biological activities 17 , 18 like anti-diabetic 19 , antibacterial 20 , antioxidant 21 , anti-cancer 22 and antiviral activities 23 . Given that chromene sulfonamide hybrids have been shown variable biological activities 24 – 26 , and based on our previous works on the synthesis of sulfonamide hybrids 27 – 31 , accordingly, we were motivated to design and synthesize some novel derivatives of these hybrids (Scheme 1 ). Scheme 1 Synthesis of novel chromene-sulfonamide hybrids.…”
In this study, eleven novel chromene sulfonamide hybrids were synthesized by a convenient method in accordance with green chemistry. At first, chromene derivatives (1–9a) were prepared through the multi-component reaction between aryl aldehydes, malononitrile, and 3-aminophenol. Then, synthesized chromenes were reacted with appropriate sulfonyl chlorides by grinding method to give the corresponding chromene sulfonamide hybrids (1–11b). Synthesized hybrids were obtained in good to high yield and characterized by IR, 1HNMR, 13CNMR, CHN and melting point techniques. In addition, the broth microdilution assay was used to determine the minimal inhibitory concentration of newly synthesized chromene-sulfonamide hybrids. The MTT test was used to determine the cytotoxicity and apoptotic activity of the newly synthesized compounds against fibroblast L929 cells. The 3D‑QSAR analysis confirmed the experimental assays, demonstrating that our predictive model is useful for developing new antibacterial inhibitors. Consequently, molecular docking studies were performed to validate the findings of the 3D-QSAR analysis, confirming the potential binding interactions of the synthesized chromene-sulfonamide hybrids with the target enzymes. Molecular docking studies were employed to support the 3D-QSAR predictions, providing insights into the binding interactions between the newly synthesized chromene-sulfonamide hybrids and their target bacterial enzymes, thereby reinforcing the potential efficacy of these compounds as antibacterial agents. Also, some of the experimental outcomes supported or conflicted with the pharmacokinetic prediction (especially about compound carcinogenicity). The performance of ADMET predictor results was assessed. The work presented here proposes a computationally driven strategy for designing and discovering a new sulfonamide scaffold for bacterial inhibition.
“…The application of this technology is extensive and is increasing rapidly, but its limitations have led to a focus on research. These restrictions include dependence of efficiency and performance of the device on the angle of sunlight, high-cost preparation devices components, limitations of functional materials such as organic-mineral sensitizers, lack of close connection between practical achievements and theoretical results and complicated fabrication process and high weight (Zhi and Dai, 2018; Arjunan and Senthil, 2013; Ghomashi et al , 2022).…”
Purpose
The purpose of this paper is to introduce flexible dye-sensitized solar cells (FDSSCs).
Design/methodology/approach
In the third generation solar cells, glass was used as a substrate, which due to its high weight and fragility, was not possible to produce continuously. However, in flexible solar cells, flexible substrates are used as new technology. The most important thing may choose a suitable substrate to produce a photovoltaic (PV) device with optimal efficiency.
Findings
Conductive plastics or metallic foils are the two main candidates for glass replacement, each with its advantages and disadvantages. As some high-temperature methods are used to prepare solar cells, metal substrates can be used to prepare PV devices without any problems. In contrast to the advantage of high thermal resistance in metals, metal substrates are dark and do not transmit enough light. In other words, metal substrates have a high loss of photon energy. Like all technologies, PV devices with polymer substrates have technical disadvantages.
Practical implications
In this study, the development of FDSSCs offers improved photovoltaic properties.
Social implications
The most important challenge is the poor thermal stability of polymers compared to glass and metal, which requires special methods to prepare polymer solar cells. The second important point is choosing the suitable components and materials for this purpose.
Originality/value
Dependence of efficiency and performance of the device on the angle of sunlight, high-cost preparation devices components, limitations of functional materials such as organic-mineral sensitizers, lack of close connection between practical achievements and theoretical results and complicated fabrication process and high weight.
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