Pub Date : 2023-06-21DOI: 10.54565/jphcfum.1263834
R. Omer, Rzgar Farooq Rashid, Khdir A. Othman
The pharmacological activities of triazole derivatives have been studied extensively by researchers. Different derivatives of triazole have showed promise in treating various diseases. Most triazole derivatives have demonstrated anti-inflammatory, anti-cancer, anti-bacterial and anti-fungal activities. The ability of these compounds to modulate various biological processes has made them attractive for pharmaceutical development. Furthermore, the low cost and wide availability of triazoles have made them even more attractive for drug development. In addition to the pharmacological activities, triazole derivatives have also been reported to possess antioxidant properties. Studies have shown that 1,2,3-triazole can protect against oxidative damage and inhibit lipid peroxidation. Furthermore, 1,2,4-triazole has been found to act as an antioxidant and scavenge free radicals. The antioxidant properties of triazoles make them attractive for the development of new drugs. The synthesis of triazole derivatives has also been studied extensively. Various methods have been developed to synthesize triazole derivatives, including chemical and enzymatic methods. Chemical methods involve the formation of cyclic structures by the reaction of alkyl halides with azides. Enzymatic methods involve the use.
{"title":"Exploring The Synthesis of 1,2,4-Triazole Derivatives: A Comprehensive Review","authors":"R. Omer, Rzgar Farooq Rashid, Khdir A. Othman","doi":"10.54565/jphcfum.1263834","DOIUrl":"https://doi.org/10.54565/jphcfum.1263834","url":null,"abstract":"The pharmacological activities of triazole derivatives have been studied extensively by researchers. Different derivatives of triazole have showed promise in treating various diseases. Most triazole derivatives have demonstrated anti-inflammatory, anti-cancer, anti-bacterial and anti-fungal activities. The ability of these compounds to modulate various biological processes has made them attractive for pharmaceutical development. Furthermore, the low cost and wide availability of triazoles have made them even more attractive for drug development. In addition to the pharmacological activities, triazole derivatives have also been reported to possess antioxidant properties. Studies have shown that 1,2,3-triazole can protect against oxidative damage and inhibit lipid peroxidation. Furthermore, 1,2,4-triazole has been found to act as an antioxidant and scavenge free radicals. The antioxidant properties of triazoles make them attractive for the development of new drugs. The synthesis of triazole derivatives has also been studied extensively. Various methods have been developed to synthesize triazole derivatives, including chemical and enzymatic methods. Chemical methods involve the formation of cyclic structures by the reaction of alkyl halides with azides. Enzymatic methods involve the use.","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"49 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128596090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-06-21DOI: 10.54565/jphcfum.1287104
Tankut Ates, N. Bulut, O. Kaygili, S. Keser
In this study, the effects of the duration of ultrasonication for Pr-doped hydroxyapatite (HA) were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and Fourier transform infrared (FT-IR) analyses. 0.25at.%Pr-containing HA samples were prepared by the ultrasonic-assisted wet chemical route using different ultrasonication times of 0, 30, 60, 90, and 120 min. The formation of the HA phase was confirmed by the FT-IR and XRD data for each sample. The morphology was significantly affected by the duration of ultrasonication. Compared to the untreated sample, remarkable decreases in both the crystallite size and the crystallinity were observed with the duration of ultrasonication.
{"title":"Investigation of structural properties of Pr-doped hydroxyapatites synthesized via an ultrasonic-assisted wet chemical method","authors":"Tankut Ates, N. Bulut, O. Kaygili, S. Keser","doi":"10.54565/jphcfum.1287104","DOIUrl":"https://doi.org/10.54565/jphcfum.1287104","url":null,"abstract":"In this study, the effects of the duration of ultrasonication for Pr-doped hydroxyapatite (HA) were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and Fourier transform infrared (FT-IR) analyses. 0.25at.%Pr-containing HA samples were prepared by the ultrasonic-assisted wet chemical route using different ultrasonication times of 0, 30, 60, 90, and 120 min. The formation of the HA phase was confirmed by the FT-IR and XRD data for each sample. The morphology was significantly affected by the duration of ultrasonication. Compared to the untreated sample, remarkable decreases in both the crystallite size and the crystallinity were observed with the duration of ultrasonication.","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"88 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131236866","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-06-21DOI: 10.54565/jphcfum.1263803
Lana Ahmed, N. Bulut, O. Kaygili, R. Omer
The corrosion inhibitor activities of 10 molecules (Benzene (C1), Phenol (C2), Toluene (C3), Benzoic acid (C4), Acetophenone (C5), Chlorobenzene (C6), Bromobenzene (C7), Benzaldehyde (C8), Naphthalene (C9), and Anthracene (C10) were investigated using quantum mechanical methods. The energy of the highest occupied molecular orbital (EHOMO), the energy of the lowest occupied molecular orbital (ELUMO), the energy bandgap (E = ELUMO - EHOMO), and the dipole moment (μ) were all estimated in this study. The parameters mentioned can provide information about the corrosion efficiency of organic compounds. In addition, the density functional theory (DFT) was used to determine the geometry of the molecules as well as the electronic properties of the compounds. Physical parameters such as chemical hardness (ɳ), softness (σ), and electronegativity (χ) were determined using B3LYP/6-31G (d, p). As well as the quantum chemistry properties like the fraction of electrons transported (ΔN) between the iron surface and the titled compounds have been calculated. This research also aimed to find which variables have a significant linear relationship with inhibitory performance. According to the results, the behavior of organic-based corrosion inhibitors is related to the effectiveness of good corrosion inhibitors and the quantum chemical parameters measured during this process. As a result, corrosion inhibitor behavior can be predicted without the need for an experiment.
{"title":"Quantum Chemical Study of Some Basic Organic Compounds as the Corrosion Inhibitors","authors":"Lana Ahmed, N. Bulut, O. Kaygili, R. Omer","doi":"10.54565/jphcfum.1263803","DOIUrl":"https://doi.org/10.54565/jphcfum.1263803","url":null,"abstract":"The corrosion inhibitor activities of 10 molecules (Benzene (C1), Phenol (C2), Toluene (C3), Benzoic acid (C4), Acetophenone (C5), Chlorobenzene (C6), Bromobenzene (C7), Benzaldehyde (C8), Naphthalene (C9), and Anthracene (C10) were investigated using quantum mechanical methods. The energy of the highest occupied molecular orbital (EHOMO), the energy of the lowest occupied molecular orbital (ELUMO), the energy bandgap (E = ELUMO - EHOMO), and the dipole moment (μ) were all estimated in this study. The parameters mentioned can provide information about the corrosion efficiency of organic compounds. In addition, the density functional theory (DFT) was used to determine the geometry of the molecules as well as the electronic properties of the compounds. Physical parameters such as chemical hardness (ɳ), softness (σ), and electronegativity (χ) were determined using B3LYP/6-31G (d, p). As well as the quantum chemistry properties like the fraction of electrons transported (ΔN) between the iron surface and the titled compounds have been calculated. This research also aimed to find which variables have a significant linear relationship with inhibitory performance. According to the results, the behavior of organic-based corrosion inhibitors is related to the effectiveness of good corrosion inhibitors and the quantum chemical parameters measured during this process. As a result, corrosion inhibitor behavior can be predicted without the need for an experiment.","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"27 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115446176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-06-21DOI: 10.54565/jphcfum.1285639
M. Temüz, P. Koparir, M. Yildirim
In this study 4-phenyl-5-(2-thienyl)-2, 4-dihydro-3H-1,2,4-triazol-3-thion was synthesized using experimental method and later characterized using spectroscopic methods. The titled molecule is then designed, optimized and charaterized with theoretical first principle method. The result compared and the titled molecule is solvated with polar and non-polar solvent to see the effect of their interaction and changes that occurs in the spectroscopic results.
{"title":"Solvents Effect on 4-Phenyl-5-(2-Thienyl)-2,4-Dihydro-3H-1,2,4-Triazol-3-Thion Molecule: Experimental And Theoretical Study","authors":"M. Temüz, P. Koparir, M. Yildirim","doi":"10.54565/jphcfum.1285639","DOIUrl":"https://doi.org/10.54565/jphcfum.1285639","url":null,"abstract":"In this study 4-phenyl-5-(2-thienyl)-2, 4-dihydro-3H-1,2,4-triazol-3-thion was synthesized using experimental method and later characterized using spectroscopic methods. The titled molecule is then designed, optimized and charaterized with theoretical first principle method. The result compared and the titled molecule is solvated with polar and non-polar solvent to see the effect of their interaction and changes that occurs in the spectroscopic results.","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130467127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-06-21DOI: 10.54565/jphcfum.1273771
Othman Hamad, Rebaz OBAID KAREEM, O. Kaygili
2-Nitrophenol (2-NP) is utilized in the production of bio-refractory organic compounds, and petrochemicals, and in the synthesis of many drugs and weed killers. The chemical structure of 2-NP is C6H5NO3. The structure of 2-NP is important as the nitro group (NO2. In this present investigation, the Gaussian 5.0 program was used to compute the difference in energy level that exists between the HOMO and LUMO states of the BGs.This information was then used to optimize the shape of the 2-NP structures using DFT methods. The 3-21G/B3LYP base set has a minimum value for the BG energy of 3.48 eV. This is the minimum value that can be achieved. The DOS for 2-NP was measured to have its maximum possible value of 2.23 ev/atom. According to the results of the IR, and Raman spectrum, the C-H stretching vibration peak for 2-NP was found to be between 3208.96 cm-1 and 3243.76 cm-1. The maximum excitation energy was analyzed at a wavelength of 382.1 nm, and the oscillator strength was determined at 0.0537 UV Spectroscopy. In the potential energy map (PE), the colors are changed from blue to red in the range of -4.442e-2 to 4.442e-2.
{"title":"Density Function Theory Study of the Physicochemical Characteristics of 2-nitrophenol","authors":"Othman Hamad, Rebaz OBAID KAREEM, O. Kaygili","doi":"10.54565/jphcfum.1273771","DOIUrl":"https://doi.org/10.54565/jphcfum.1273771","url":null,"abstract":"2-Nitrophenol (2-NP) is utilized in the production of bio-refractory organic compounds, and petrochemicals, and in the synthesis of many drugs and weed killers. The chemical structure of 2-NP is C6H5NO3. The structure of 2-NP is important as the nitro group (NO2. In this present investigation, the Gaussian 5.0 program was used to compute the difference in energy level that exists between the HOMO and LUMO states of the BGs.This information was then used to optimize the shape of the 2-NP structures using DFT methods. The 3-21G/B3LYP base set has a minimum value for the BG energy of 3.48 eV. This is the minimum value that can be achieved. The DOS for 2-NP was measured to have its maximum possible value of 2.23 ev/atom. According to the results of the IR, and Raman spectrum, the C-H stretching vibration peak for 2-NP was found to be between 3208.96 cm-1 and 3243.76 cm-1. The maximum excitation energy was analyzed at a wavelength of 382.1 nm, and the oscillator strength was determined at 0.0537 UV Spectroscopy. In the potential energy map (PE), the colors are changed from blue to red in the range of -4.442e-2 to 4.442e-2.","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129202146","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-11-28DOI: 10.54565/jphcfum.1201785
Mücahit Yilmaz, Hanifi Kebiroglu
In this study, the K- Serotonin structure formed by adding potassium to Serotonin (5-HT) was investigated by quantum chemical methods. 5-hydroxytryptamine is a neurotransmitter that affects mood, making people feel happy and energetic. 5-HT and 5-HT-potassium were optimized with some base sets to find the optimal band gap using the density function theory (DFT) and Hartree-Fock (HF) method. The most suitable DFT/LanL2DZ was selected for the structure with and without additives. By calculating the values for 5-HT and K-5-HT, the effects of potassium on 5-HT binding were compared.
{"title":"Investigation of K- Serotonin Structure Using Nuclear Magnetic Resonance by Quantum Chemical Methods","authors":"Mücahit Yilmaz, Hanifi Kebiroglu","doi":"10.54565/jphcfum.1201785","DOIUrl":"https://doi.org/10.54565/jphcfum.1201785","url":null,"abstract":"In this study, the K- Serotonin structure formed by adding potassium to Serotonin (5-HT) was investigated by quantum chemical methods. 5-hydroxytryptamine is a neurotransmitter that affects mood, making people feel happy and energetic. 5-HT and 5-HT-potassium were optimized with some base sets to find the optimal band gap using the density function theory (DFT) and Hartree-Fock (HF) method. The most suitable DFT/LanL2DZ was selected for the structure with and without additives. By calculating the values for 5-HT and K-5-HT, the effects of potassium on 5-HT binding were compared.","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129549520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-11-27DOI: 10.54565/jphcfum.1198578
Emmanel Nleonu
The adsorption and inhibition performance of thiourea and lithium ion on aluminium corrosion in 3.5% NaCl were investigated using gravimetric measurement, scanning electron microscope (SEM) analysis and quantum chemical computational techniques respectively. Gravimetric analysis revealed that thiourea has a good inhibitory efficacy of 82% at 1 mM concentration of thiourea on the corrosion inhibition of aluminum under the conditions studied. Also, poor inhibitory effects were recorded with an increase in the concentration of inhibitor, and improvement in inhibition efficiency was observed with the addition of lithium ion. In addition, the effects of temperature (303–333K) on corrosion inhibition was investigated. The findings showed that the effectiveness of the inhibition rises with temperature. The adsorption of thiourea molecules onto an aluminium surface followed the Temkin adsorption isotherm, while the mixed inhibitor of thiourea and lithium ion followed the Langmuir adsorption isotherm model. SEM results confirmed that the inhibition mechanism is due to the formation of a protective thin film on the aluminium surfaces that prevents corrosion. Quantum chemical calculations based on the density functional theory (DFT) revealed that the presence of sulphur and nitrogen in the structure of thiourea molecules is responsible for the strong inhibitory performance due to possible adsorption with Al atoms on the metal surface. The computed experimental and theoretical parameters in this investigation are in good agreement.
{"title":"Inhibition of Aluminium Alloy Corrosion by Thiourea and Lithium Ion in 3.5 % NaCl Solution Using Gravimetric, Adsorption and Theoretical Studies.","authors":"Emmanel Nleonu","doi":"10.54565/jphcfum.1198578","DOIUrl":"https://doi.org/10.54565/jphcfum.1198578","url":null,"abstract":"The adsorption and inhibition performance of thiourea and lithium ion on aluminium corrosion in 3.5% NaCl were investigated using gravimetric measurement, scanning electron microscope (SEM) analysis and quantum chemical computational techniques respectively. Gravimetric analysis revealed that thiourea has a good inhibitory efficacy of 82% at 1 mM concentration of thiourea on the corrosion inhibition of aluminum under the conditions studied. Also, poor inhibitory effects were recorded with an increase in the concentration of inhibitor, and improvement in inhibition efficiency was observed with the addition of lithium ion. In addition, the effects of temperature (303–333K) on corrosion inhibition was investigated. The findings showed that the effectiveness of the inhibition rises with temperature. The adsorption of thiourea molecules onto an aluminium surface followed the Temkin adsorption isotherm, while the mixed inhibitor of thiourea and lithium ion followed the Langmuir adsorption isotherm model. SEM results confirmed that the inhibition mechanism is due to the formation of a protective thin film on the aluminium surfaces that prevents corrosion. Quantum chemical calculations based on the density functional theory (DFT) revealed that the presence of sulphur and nitrogen in the structure of thiourea molecules is responsible for the strong inhibitory performance due to possible adsorption with Al atoms on the metal surface. The computed experimental and theoretical parameters in this investigation are in good agreement.","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"44 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132125752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-11-24DOI: 10.54565/jphcfum.1184174
Hanifi Kebiroglu, Öznur Büyük, N. Bulut
Computational chemistry approaches were used to manage the phenazone molecule. The phenazone molecule was optimized at the 3-21G (d) level. The structural parameters were investigated. IR and NMR techniques, which are spectroscopic approaches, were used to determine the structure. The highest occupied molecular orbital (HOMO) energy, the lowest unoccupied molecular orbital (LUMO) energy, hardness (η), softness (σ), chemical potential (μ), electronegativity (χ), electrophilicity index (ω), nucleophilicity index (ε), the electron accepting power (ω+), electron-donating power (ω-), and polarizability of the propyphenazone molecule were investigated. NMR spectra for 1H and 13C, as well as UV-Vis spectra, were obtained. HOMO-LUMO and molecular electrostatic potential (MEP) analyses were carried out. The theoretical calculations for the molecular structure and spectroscopy were done using the Gaussian 09 software with HF and 3-211G (d) basis set calculations. The GaussSum 3 software was used to compute the density of state (DOS).
{"title":"Investigation of Propyphenazone Molecule by Quantum Chemical Methods","authors":"Hanifi Kebiroglu, Öznur Büyük, N. Bulut","doi":"10.54565/jphcfum.1184174","DOIUrl":"https://doi.org/10.54565/jphcfum.1184174","url":null,"abstract":"Computational chemistry approaches were used to manage the phenazone molecule. The phenazone molecule was optimized at the 3-21G (d) level. The structural parameters were investigated. IR and NMR techniques, which are spectroscopic approaches, were used to determine the structure. The highest occupied molecular orbital (HOMO) energy, the lowest unoccupied molecular orbital (LUMO) energy, hardness (η), softness (σ), chemical potential (μ), electronegativity (χ), electrophilicity index (ω), nucleophilicity index (ε), the electron accepting power (ω+), electron-donating power (ω-), and polarizability of the propyphenazone molecule were investigated. \u0000NMR spectra for 1H and 13C, as well as UV-Vis spectra, were obtained. HOMO-LUMO and molecular electrostatic potential (MEP) analyses were carried out. The theoretical calculations for the molecular structure and spectroscopy were done using the Gaussian 09 software with HF and 3-211G (d) basis set calculations. The GaussSum 3 software was used to compute the density of state (DOS).","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"40 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124433766","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-11-07DOI: 10.54565/jphcfum.1193117
Tankut Ates, S. Keser, N. Bulut, O. Kaygili
This work aims to explain the effects of sonication periods, ranging from 0 to 4 h with a step of 1 h, on the morphology and structural properties of Ni-doped hydroxyapatites at a constant amount of 0.4 at.%. The lattice parameters, crystallinity, and crystallite size were affected by the sonication time. Among the sonicated samples, it was observed that the increasing sonication period reduced the c/a ratio. It was also found that the morphology was affected by the ultrasonication duration.
{"title":"The effects of duration of ultrasonication on the morphology and structural properties of Ni-doped hydroxyapatite structure","authors":"Tankut Ates, S. Keser, N. Bulut, O. Kaygili","doi":"10.54565/jphcfum.1193117","DOIUrl":"https://doi.org/10.54565/jphcfum.1193117","url":null,"abstract":"This work aims to explain the effects of sonication periods, ranging from 0 to 4 h with a step of 1 h, on the morphology and structural properties of Ni-doped hydroxyapatites at a constant amount of 0.4 at.%. The lattice parameters, crystallinity, and crystallite size were affected by the sonication time. Among the sonicated samples, it was observed that the increasing sonication period reduced the c/a ratio. It was also found that the morphology was affected by the ultrasonication duration.","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"107 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134542100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-11-07DOI: 10.54565/jphcfum.1192938
S. Keser, Fatma Keser, S. Tekin, I. Türkoǧlu, O. Kaygili, Ersin Demir, Prof. Dr. Ökkeş Yilmaz, S. Sandal, S. Kırbağ, M. Karatepe
W. orientalis is a one-year herbaceous plant, located in the Lamiaceae family, and is called Ballıbaba in Turkish. In the presented study, the antimicrobial and anticancer properties of flowers extracts of endemic W. orientalis were investigated for the first time. Also, it was investigated the antiradical activity and phytochemical contents of this plant extracts. According to our study results, endemic W. orientalis flowers extract show very high anticancer activity against MCF-7, HCT-116 and LNCaP cancer cell lines, high antiradical activity against ABTS radicals, and effective antimicrobial activity against some microorganism caused infection in humans. In conclusion, endemic W. orientalis can be used as an anticancer and antimicrobial agent and this plant can be the subject of further studies in the field of herbal medicine.
{"title":"In vitro anticancer, antimicrobial and antiradical properties and bioactive compounds of endemic Wiedemannia orientalis Fisch. & Mey. flowers","authors":"S. Keser, Fatma Keser, S. Tekin, I. Türkoǧlu, O. Kaygili, Ersin Demir, Prof. Dr. Ökkeş Yilmaz, S. Sandal, S. Kırbağ, M. Karatepe","doi":"10.54565/jphcfum.1192938","DOIUrl":"https://doi.org/10.54565/jphcfum.1192938","url":null,"abstract":"W. orientalis is a one-year herbaceous plant, located in the Lamiaceae family, and is called Ballıbaba in Turkish. In the presented study, the antimicrobial and anticancer properties of flowers extracts of endemic W. orientalis were investigated for the first time. Also, it was investigated the antiradical activity and phytochemical contents of this plant extracts. According to our study results, endemic W. orientalis flowers extract show very high anticancer activity against MCF-7, HCT-116 and LNCaP cancer cell lines, high antiradical activity against ABTS radicals, and effective antimicrobial activity against some microorganism caused infection in humans. In conclusion, endemic W. orientalis can be used as an anticancer and antimicrobial agent and this plant can be the subject of further studies in the field of herbal medicine.","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"61 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129575640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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