Browsing by Author "Cetin, Adnan"

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Amino Acid and Dicyclohexylurea Linked Pyrazole Analogues: Synthesis, in Silico and in Vitro Studies
(Wiley-v C H verlag Gmbh, 2023) Cetin, Adnan; Donmez, Ali; Dalar, Abdullah; Bildirici, Ishak
Pancreatic lipase (PL) inhibitors have received considerable attention by several researchers because of its ability to hydrolyse the triglycerides in the small intestine. This study reports the (i) synthesize of new pyrazole derivatives binding amino acid and Dicyclohexylurea (DCU), (ii) their pharmaceutical potentials- via enzyme inhibitory activity towards PL and antioxidant activities (using complementary antioxidant methods including FCR, FRAP and ORAC), (iii) the possible interactions between pyrazole compounds and PL enzyme through in silico studies, and the pharmacokinetic properties of the tetra-substituted pyrazole analogues by PreADMET. Enzyme activities with IC50 values of the pyrazole analogues were found to be in a high range of 6.6 +/- 0.4 mu M to 13.5 +/- 0.2 mu M. However, antioxidant activities of the pyrazole analogues exhibited low binding affinities against FCR, FRAP, and ORAC. The pyrazole analogues with docking scores were in the range of -7.3 to -15.2 and their SAR analysis were demonstrated to highlight the importance of amino acid and DCU linked scaffolds. Two web tools were utilized for the purpose of predicting ADMET parameters of drugs and drug-like pyrazole analogues. These results suggested that the amino acid and DCU linked pyrazole analogues have potential as PL inhibitors.
Aqueous Tpgs-750 Synthesis of Pyrano[2,3-C] a Sustainable and Efficient Approach
(Springer, 2024) Cetin, Adnan; Bayden, Mehmet Yasin
The article describes a green and efficient synthesis method for pyrano[2,3-c]-pyrazoles, employing DL-alpha-tocopherol methoxypolyethylene glycol succinate solution (TPGS-750-M) as a green and biodegradable surfactant in water. The utilization of water as a reaction medium and TPGS-750-M as a surfactant obviates the necessity for organic solvents, thereby enhancing the environmental sustainability of the synthesis. The compounds synthesized using this novel method was characterized using various spectroscopic techniques, including 1H-NMR, 13C-NMR, and mass spectrometry.
Assessment of Biological Activities and Genomic Changes on Microorganisms, Wheat, and Wilding Arise From Poly(Pyrazole)
(Wiley-v C H verlag Gmbh, 2023) Bozari, Sedat; Cetin, Adnan; Kurt, Havva
The rapidly growing human population has led to duplicate food production and also reduced product loss. Although the negative effects of synthetic chemicals were recorded, they are still used as agrochemical. The production of non-toxic synthetics makes their use particularly safe. The goal of our research is to evaluate antimicrobial activity of previously synthesized Poly(p-phenylene-1-(2,5-dimethylphenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxy amide) (poly(PDPPD)) against selected Gram-negative, Gram-positive bacteria, and fungus. In addition, the possible genotoxic effects of the poly(PDPPD) were searched on Triticum vulgare and Amaranthus retroflexus seedlings using Random Amplified Polymorphic DNA (RAPD) marker. The binding affinity and binding energies of the synthesized chemical to B-DNA were simulated with AutoDock Vina.It was observed that the poly(PDPPD) affected most of the organisms in a dose-dependent manner. Pseudomonas aeruginosa was the most affected species in tested bacteria at 500 ppm with 21.5 mm diameters. Similarly, a prominent activity was observed for tested fungi. The poly(PDPPD) decreased root and stem length of the Triticum vulgare and Amaranthus retroflexus seedlings and also reduced the genomic template stability (GTS) value of Triticum vulgare more than Amaranthus retroflexus. The binding energy of poly(PDPPD) was found in range of -9.1 and -8.3 kcal/mol for nine residues of B-DNA.
Gaba-At Inhibitors: Design, Synthesis, Pharmacological Characterization, Molecular Docking and Admet Studies
(Wiley-v C H verlag Gmbh, 2023) Sevincli, Zekiye Seyma; Bildirici, Nurettin; Cetin, Adnan; Bildirici, Ishak
& gamma;-aminobutyric acid (GABA) is the main neuroinhibitory transmitter and a non-proteinogenic amino acid in the brain. When the brain concentration of GABA diminishes below a threshold level, it can cause excess neuronal excitation and lead to convulsions. & gamma;-Aminobutyric acid aminotransferase (GABA-AT) is an enzyme that catalyzes the conversion of GABA to succinic semialdehyde in the GABA shunt pathway and responsible for breaking down GABA in the brain. By inhibiting GABA-AT activity, it may be possible to increase the levels of GABA in the brain and reduce the likelihood of seizures. Herein, the synthesis and evaluation of & alpha;-pyrazolo-(aryl/alkyl)methyl-ketone and pyrazolo[5,1-a]isoquinoline derivatives were carried out anticonvulsant activity, with a focusing on GABA-AT inhibition. In total, 20 novel compounds were synthesized, and characterized with binding assays at GABA-AT receptor, in the 0.060 & PLUSMN;0.01 to 5.99 & PLUSMN;0.10 micromolar range. The ADMET predictions and drug-like characteristics of & alpha;-pyrazolo-(aryl/alkyl)methyl-ketone and pyrazolo[5,1-a]isoquinoline compounds were identified by pharmacokinetic investigations. Furthermore, the predicted analogue-enzyme complexes with docking scores were in the range of -7.3 to -10.5, and their SAR analysis was found to be significant of & alpha;-pyrazolo-(aryl/alkyl)methyl-ketone and pyrazolo[5,1-a]isoquinoline structures in medicinal chemistry. Our results revealed that this new structural information will be useful for the future design and synthesis of activity-based GABA-AT inhibitors. The research presented in this manuscript is focused on the development of new high affinity ligands for GABA-AT receptor. These analogues for GABA-AT inhibitor candidates were designed using the scaffold from the pyrazole and isoquinoline by omitting the substituent in the 3,5-positions. The pharmacological profile of these analogues was determined using an in vitro method. This has aided in the design of a novel selective inhibitor for the GABA-AT receptor.image
A Novel Oligo-Pyrazole Thin Film: Synthesis, Characterization, Optical and Morphological Properties
(Springer, 2018) Cetin, Adnan; Korkmaz, Adem; Bildirici, Ishak
Pyrazole-3,4-dicarboxylic acid 2 was synthesized via the hydrolysis of pyrazole-3-carboxylic acid 1 and subsequently heated with thionyl chloride to give the novel pyrazole-3,4-dicarbonyl dichloride 3, which was easily converted into oligo-pyrazole 4 upon its reaction with p-phenylene-diamine. These newly synthesized compounds were characterized by H-1-NMR, C-13-NMR, and FT-IR spectroscopy, and gel permission chromatography (GPC). Three novel oligo-pyrazole thin films were prepared using oligo-pyrazole 4 with these respective values of thickness: 20, 21, and 24 mu m. The optical properties of the films, including the absorbance, transmittance, and optical band gap, were determined using UV-vis spectroscopy. The E (g) values of the films were found to be 1.426, 1.537, and 1.648 eV for the 20, 21, and 24 mu m thick organic films, respectively. Atomic force microscopy (AFM) was used to examine the surface morphology and properties of the organic films. In the AFM images, a few black regions were observed and several yellow regions appeared over a large area, and the surface of the oligo-pyrazole films had an extremely low roughness value. The as-synthesized oligo-pyrazole has great potential in optoelectronic applications according to the optical properties of the as-prepared films.
Novel Pyrazole-Centered Derivatives Having Mono/Di Chiral Centered Group as Organocatalyst for Henry Reaction
(Soc Chemists Technologists Madeconia, 2020) Cetin, Adnan; Bildirici, Ishak; Gumus, Selcuk
The chiral substituted pyrazole-3-carboxamides (4a-c), pyrazole-3-carboxylates (5a-c), pyrazole-3-thioureides (7a-c) and pyrazole-3,4-dicarboxamides (10a-c) were prepared via the pyrazolo-3-chlorocarbonyl 2, pyrazolo-3,4-dicarboxy methyl ester 3 with pyrazole-3-isothiocyanate 6 with different (R)-chiral amino alcohols. All of the synthesized chiral compounds binding a pyrazole skeleton were investigated as organocatalysts for asymmetric aldol reactions between nitromethane and p-nitrobenzaldehyde in the presence of CuCl. Enantiomeric excesses and the reaction yields were found to be appropriate values. Furthermore, the best organocatalyst applied in this study was identified after careful optimization of conditions. Lastly, all of the novel compounds were subjected to computational analysis at the B3LYP/6-31++G(d,p) level of theory to obtain information about their structural and electronic properties.
Pharmacological Assessment of Disulfide-Triazine Hybrids: Synthesis, Enzyme Inhibition, and Molecular Docking Study
(Springer Birkhauser, 2024) Turkan, Fikret; Cetin, Adnan; Rozbicki, Przemyslaw; Oguz, Ercan; Wolinska, Ewa; Branowska, Danuta
Acetylcholinesterase (AChE) is indispensable for neurotransmission, while glutathione S-transferase (GST) plays a crucial role in cellular detoxification and protection. These enzymes are pivotal subjects in scientific investigations aimed at understanding neurological functions and maintaining cellular equilibrium. In pursuit of this objective, a set of disulfide-triazine hybrids (1, 2, and 3a-h) was effectively synthesized and methodically examined for their capacity to inhibit both AChE and GST (the Ki values for AChE range from 0.893 +/- 0.117 mu M to 7.961 +/- 0.421 mu M, while the IC50 values fall within the range of 1.919-6.243 mu M. For GST, the Ki values span from 2.093 +/- 0.276 mu M to 8.840 +/- 1.934 mu M, with IC50 values ranging from 2.152 to 4.747 mu M). After synthesizing the compounds and studying their biological effects, molecular docking analyses were conducted to understand how these compounds interact with target enzymes. This helped identify how the compounds bind and which amino acid residues are crucial for inhibition. The positive results highlight the potential of disulfide-triazine hybrids as strong inhibitors of AChE and GST, suggesting they could be further developed and optimized as therapeutic agents.
Pyrazole[3,4-D]pyridazine Derivatives: Molecular Docking and Explore of Acetylcholinesterase and Carbonic Anhydrase Enzymes Inhibitors as Anticholinergics Potentials
(Academic Press inc Elsevier Science, 2019) Taslimi, Parham; Turkan, Fikret; Cetin, Adnan; Burhan, Hakan; Karaman, Muhammet; Bildirici, Ishak; Sen, Fatih
Recently, the pyridazine nucleus has been widely studied in the field of particular and new medicinal factors as drugs acting on the cardiovascular system. Additionally, a number of thienopyridazines have been claimed to possess interacting biological macromolecules and pharmacological activities such as NAD(P)H oxidase inhibitor, anticancer, and identified as a novel allosteric modulator of the adenosine A1 receptor. The literature survey demonstrates that coumarin, 1,2-pyrazole benzothiazole, and 1,3- thiazole scaffolds are the most versatile class of molecules. In this study, a series of substituted pyrazole[3,4-d]pyridazine derivatives (2a-n) were prepared, and their structures were characterized by Mass analysis, NMR, and FT-IR. These obtained pyrazole [3,4-d]pyridazine compounds were very good inhibitors of the carbonic anhydrase (hCA I and II) isoenzymes and acetylcholinesterase (AChE) with K-i values in the range of 9.03 +/- 3.81-55.42 +/- 14.77 nM for hCA I, 18.04 +/- 4.55-66.24 +/- 19.21 nM for hCA II, and 394.77 +/- 68.13-952.93 +/- 182.72 nM for AChE, respectively. The possible inhibition mechanism of the best-posed pyrazole[3,4-d]pyridazine and pyrazole-3-carboxylic acid derivatives and their interaction with catalytic active pocket residues were determined based on the calculations.
Recent Advances in Pyrazole-Based Protein Kinase Inhibitors as Emerging Therapeutic Targets
(Bentham Science Publ Ltd, 2024) Cetin, Adnan
Background Pyrazole-scaffold protein kinase inhibitors (PKIs) have emerged as promising therapeutic agents for the treatment of various diseases, such as cancer, inflammatory disorders, and neurological diseases. This review article provides an overview of the pharmacological properties of pyrazole-scaffold PKIs, including their mechanism of action, selectivity, potency, and toxicity. The article also summarizes the recent developments in the design and synthesis of pyrazole-scaffold PKIs, highlighting the structural features and modifications that contribute to their pharmacological activity. In addition, the article discusses the preclinical and clinical studies of pyrazole-scaffold PKIs, including their efficacy, safety, and pharmacokinetic properties.Methods A comprehensive search has been conducted on several online patent databases, including the United States Patent and Trademark Office (USPTO), the European Patent Office (EPO), and the World Intellectual Property Organization (WIPO). The search was conducted using pyrazole as the keyword. The search was limited to patents filed between 2015 and 2022. Patents were included if they involved articles in the fields of protein kinase inhibitors, and included literature on some pyrazoles and their pharmacological activities.Results Data were extracted from each included patent on the following variables: patent title, patent number, inventors, assignee, filing date, publication date, patent type, and field of invention. Data were extracted from each patent using a standardized form to ensure consistency and accuracy.Conclusion The design and pharmacological evaluation of organic compounds containing pyrazole structure as biologically active substances have been done, and the key structures from the pharmacological data obtained as protein kinase inhibitors have been addressed in detail. The review concludes with a discussion on the current challenges and future directions for the development of pyrazole-scaffold PKIs as therapeutic agents. Overall, this review article provides a comprehensive summary of the pharmacological properties of pyrazole-scaffold PKIs, which will be of interest to researchers and clinicians in the field of drug discovery and development.
Some Flavolignans as Potent Sars-Cov Inhibitors Via Molecular Docking, Molecular Dynamic Simulations and Adme Analysis
(Bentham Science Publ Ltd, 2022) Cetin, Adnan
Background: The COVID-19 pandemic emerged at the end of 2019 in China and spread rapidly all over the world. Scientists strive to find virus-specific antivirals against COVID-19 disease. This study aimed to assess some flavolignans as potential SARS-CoV-2 main protease (SARS-CoV-2 Mpro) inhibitors using molecular docking study, molecular dynamic simulations, and ADME analysis. Methods: The detailed interactions between the flavolignans and SARS-CoV-2 Mpro were determined using Autodock 4.2 software. SARS-CoV-2 Mpro was docked with selected flavolignans, and the docking results were analyzed by Autodock 4.2 and Biovia Discovery Studio 4.5. The SARS-CoV-2 Mpro-flavolignans' complexes were subjected to molecular dynamic (MD) simulations for a period of 50ns. To measure the stability, flexibility, and average distance between the SARS-CoV-2 Mpro and flavolignans, root mean square deviations (RMSD) and root mean square fluctuation (RMSF) were calculated, and the binding free energy calculations of SARS-CoV-2 Mpro-flavolignans complexes were found to using the molecular mechanics/Poisson-Boltzmann surface area (MM-PBSA) method. SwissADME web tools were used to evaluate ADME properties and pharmacokinetic parameters of the flavolignans. Results: The binding energies of the SARS-CoV-2 Mpro- flavolignans' complexes were identified from the molecular docking of SARS-CoV-2 Mpro. Sinaiticin was found to be the highest binding affinity of -9.4kcal/mol and formed pi-lone pair and pi-alkyl interactions with the catalytic binding residues Glu166 and Cys145. Silychristin, Dehydrosilybin, Hydrocarpin, Silydianin, and 5'-metoxyhydcaprin also showed high binding affinities of -9.3, -9.2, -9.0, -8.7 and -8.6 kcal/mol, respectively. The flavolignans demonstrated strong Carbon H bond interactions with the binding site residues of the Gln192, Gly143, Leu27, Glu166, and Tyr54, and thereby can act as potent inhibitors of the SARS-CoV 2 Mpro. Conclusion: The selected flavolignans obey Lipinski's rule of five. According to the results obtained from molecular docking studies, molecular dynamic simulations, and ADME analysis, it can be proposed that the flavolignans, which can be used to design effective antiviral drug candidates against the SARS-CoV-2, can be tried for promising and effective inhibitors of the SARS-CoV-2 main protease in vitro and in vivo studies.
A Study on Synthesis and Antimicrobial Activity of 4-Acyl
(Elsevier Science Bv, 2018) Cetin, Adnan; Bildirici, Ishak
4-Acyl-pyrazole-3-carboxylic acids (1) were synthesized via the reaction of 4-acyl-2,3-furandiones (F) with hydrazone (1-benzylidene-2-(2,5-dimethyl-phenyl)-hydrazine) by heating under solid phase and their acid chlorides (2) were obtained. Then these derivatives were easily converted into the corresponding derivatives such as ester, amide, ureide, pyrazolo-pyridazine, etc. Totally 62 new compounds were synthesized. The structures of these new synthesized compounds were determined by spectroscopic methods and the in vitro antibacterial activity of newly synthesized compounds were carried out against some gram-positive and gram-negative bacteria by well diffusion method (zone inhibition). Our results have showed that these new synthesized compounds have much potent of antibacterial activity owing to containing of pyrazole and/or pyridazine, chromone, oxazine, furane, and pyrrole rings. Some of the new pyrazole derivatives exhibited higher activities than reference drugs against the representative bacteria. (C) 2016 King Saud University. Production and hosting by Elsevier B.V.
Sustainable and Environmentally-Friendly Synthesis of 1,4-Dihydropyrano[2,3 From Ketones in Tpgs-750
(Taylor & Francis inc, 2025) Bayden, Mehmet Yasin; Cetin, Adnan
Synthesis and Examination of 1,2,4-Triazine Hybrids as Potential Inhibitory Drugs: Inhibition Effects on Ache and Gst Enzymes in Silico and in Vitro Conditions
(Wiley-v C H verlag Gmbh, 2024) Rozbicki, Przemyslaw; Oguz, Ercan; Wolinska, Ewa; Turkan, Fikret; Cetin, Adnan; Branowska, Danuta
The crucial functions of acetylcholinesterase (AChE) in neurotransmission and glutathione S-transferase (GST) in detoxification and cellular protection underscore their pivotal roles as key enzymes, essential for maintaining the integrity of neurological and cellular homeostasis. For this purpose, a series of 1,2,4-triazine-sulfonamide hybrids (3a-r) was successfully synthesized, and subsequently evaluated for their inhibitory effects on AChE and GST. The investigation was complemented by molecular docking studies and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) predictions. The synthesized hybrids demonstrated significant promise in inhibiting both AChE and GST activities. Molecular docking analyses provided insights into the interactions between the compounds and the target enzymes, shedding light on potential binding modes and key amino acid residues involved. Furthermore, the study benefited from ADMET predictions, offering valuable information on the compounds' pharmacokinetic properties and potential toxicity. The promising results obtained from this comprehensive approach highlight the potential of these 1,2,4-triazine-sulfonamide hybrids as effective inhibitors of AChE and GST, paving the way for further development and optimization in the pursuit of novel therapeutic agents. A series of 1,2,4-triazine-sulfonamide hybrids (3a-r) was synthesized and evaluated for their inhibitory effects on acetylcholinesterase (AChE) and glutathione S-transferase (GST). The hybrids demonstrated promising inhibition of both AChE and GST activities. Molecular docking analyses provided insights into the interactions between the compounds and the target enzymes. image
Synthesis and Sar Studies of Pyrazole-3 And-3 Thioureides Including Chiral Moiety: Novel Candidates as Antibacterial Agents
(Serbian Chemical Soc, 2018) Bildirici, Ishak; Cetin, Adnan; Menges, Nurettin; Alan, Yusuf
A series of tetrasubstituted pyrazole-3-carboxamides (3a-c) and pyrazole-3-carbonyl thioureides (6a-c) were synthesized and their structures characterized by IR, NMR and elemental analysis. The antibacterial potential against specific Gram-positive and Gram-negative strains and the antifungal activities of all novel compounds were investigated. Structure-activity relationships (SAR) studies and some theoretical parameters (ClogP, CMR, PSA and ESP) of the compounds were performed on these two pyrazole derivatives. Pyrazole-3-carboxylate ester 2 was used for the synthesis of the carboxamide derivatives. The reactions of pyrazole-3-carbonyl isothiocyanate 5 with appropriate chiral amino alcohols were utilized for synthesizing the thioureide derivatives. Both of these types of pyrazole derivatives including a chiral moiety exhibited pronounced antibacterial activities. According to the present in vitro study, some of the promising compounds might be new candidates for a new generation of antibacterial drugs.
Synthesis of 4-Diazocyclohexane Sulfonamide Drug Scaffolds: Investigating Enzyme Inhibition, Antioxidant, and Admet Properties
(Elsevier, 2025) Cetin, Adnan; Oguz, Ercan; Kazancioglu, Elif Akin; Guven, Betul; Kazancioglu, Mustafa Zahrittin; Turkan, Fikret
The inhibitory effects of several sulfonamide derivatives with a 4-diazocyclohexane backbone on alpha-glucosidase and alpha-amylase enzymes were explored. IC50 values for five sulfonamide derivatives were determined, ranging from 2.10 +/- 0.115 to 3.22 +/- 0.227 mu M for alpha-glucosidase and from 1.90 +/- 0.379 to 3.19 +/- 0.604 mu M for alpha-amylase. The results indicated that the inhibitory activity of these derivatives was comparable to the standard inhibitor acarbose. Additionally, the antioxidant potential of the sulfonamide derivatives was assessed using in vitro assays, including cupric ion (Cu2+) reduction, ferric ion (Fe3+) reduction (FRAP assay), DPPH radical scavenging, and ABTS+ radical scavenging methods. While no significant radical scavenging activity was observed in the ABTS assay, minimal antioxidant activity was detected in other methods compared to standard antioxidants. These findings suggest the potential of sulfonamide derivatives as dual enzyme inhibitors with limited antioxidant properties. Additionally, molecular docking and molecular dynamics (MD) simulations demonstrated the stability of 4-diazocyclohexane-based sulfonamide compounds-selected proteins complexes and provided detailed insights into 4a-e compounds-protein interactions at the molecular level. These findings formed the foundation for biologic activity these compounds with optimized binding properties and anticipated inhibitory activities. Moreover, an analysis of physicochemical descriptors and absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles was conducted to obtain deeper insights into ADMET properties in alpha-glucosidase and alpha-amylase candidate inhibitors.
Synthesis of Chiral Substituted Meta-Bromoanilines as Ligands for Copper-Catalyzed Asymmetric Aldol Addition Reactions
(Taylor & Francis inc, 2025) Cetin, Adnan
Tetra-Substituted Pyrazole Analogues: Synthesis, Molecular Docking, Admet Prediction, Antioxidant and Pancreatic Lipase Inhibitory Activities
(Springer Birkhauser, 2023) Cetin, Adnan; Donmez, Ali; Dalar, Abdullah; Bildirici, Ishak
The development of novel analogues for the pancreatic lipase (PL) inhibitors and antioxidant candidates remains a significant research objective, as these studies are essential to our understanding of the role of PL receptor in obesity. Herein, we report on the synthesis, molecular docking, absorption, distribution, metabolism, excretion and toxicity (ADMET) properties, and biological evaluation of ten tetra-substituted pyrazole analogues as agents of PL inhibitors and antioxidant activities. The tetra-substituted pyrazole analogues displayed good binding affinity against Folin-Ciocalteu Reducing (FCR), Ferric Reducing Antioxidant Power (FRAP). However, the synthesized analogues displayed low binding affinity against Oxygen Radical Absorbance Capacity (ORAC). The tetra-substituted pyrazole analogues exhibited effective PL inhibition in the range of 2.0 +/- 0.0 and 34.3 +/- 0.3 mu M according to the enzyme assays. Furthermore, the detailed interactions and binding energies of the PL-tetra-substituted pyrazole analogues' complexes were determined using molecular docking studies. The binding energies of the PL-tetra-substituted pyrazole analogues' complexes were found in range of -9.4 to -13.2 kcal/mol. In addition, the ADMET predictions of tetra-substituted pyrazole analogues were carried out using PreADMET software. Overall, the obtained results revealed that antioxidant and PL inhibitory activities of tetra-substituted pyrazole analogues were in consensus with the ADMET predictions results.
Unraveling the Synthesis, Characterization, and Optical Behaviors of Thin Films: a Comprehensive Study
(Springer, 2024) Cetin, Adnan; Bildirici, Ishak
Thin films have significant importance both in academia and industry due to their unique properties and wide range of applications in electronic devices, solar cells, sensors, flat panel displays, and more. The current study aimed to synthesize and characterize polymers that exhibit semiconductor behavior and investigate their potential use in optoelectronic devices. For this purpose, thin films were prepared from the synthesized polymers. The optical properties of thin films with thicknesses of 23 mu m and 4 mu m were measured using UV-Vis spectroscopy, and the Eg values were found to be 1.30 eV and 2.16 eV, respectively. Results indicated that the obtained values of the optical bandgap energy and refractive index of the thin films suggested that they can be promising materials for the fabrication of optoelectronic devices such as solar cells, sensors, and light-emitting diodes. The observed dependence of these properties on the thickness of the films also suggested that their performance can be tuned by controlling their deposition parameters. Overall, these results demonstrated the potential of thin films as versatile building blocks for various applications in the fields of photonics and electronics.
Unsymmetrical Pyrazole-Based New Semiconductor Oligomer: Synthesis and Optical Properties
(Springer, 2017) Cetin, Adnan; Gunduz, Bayram; Menges, Nurettin; Bildirici, Ishak
Poly(p-phenylene-1-(2,5-dimethylphenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxyamide)(poly(PDPPD)) was synthesized from reactions of p-phenylenediamine and 1-(2,5-dimethylphenyl)-5-phenyl-1H-pyrazole-3,4-dicarbonyl dichloride (monomer) by heating under solvent. This newly synthesized poly(PDPPD) was characterized by 1 H, 13 C-NMR, FT-IR, gel permeation chromatography (GPC). In addition, we investigated optical properties of the poly(PDPPD) containing the substituted pyrazole ring at different molarities. The average transmittance (T-avg) values of the poly(PDPPD) in the visible (V) region were higher than the Tavg values in the near-ultraviolet (NU) region. The Tavg values of the poly(PDPPD) in the NU and visible (V) region decreased with increasing molarity. The absorption band edge (Absbe) value of the poly(PDPPD) decreased with increasing molarity. It was observed that the optical band gap (E-g) of the poly(PDPPD) value decreased more with increasing molarity. The refractive index of the poly(PDPPD) decreased with increasing wavelength and decreasing molarity. The structure of the poly(PDPPD) in the lowest energy was optimized by DFT calculation and its HOMO-LUMO orbitals were plotted.