{"title":"Polyethylene Glycol Coated Prussian Blue Nanocubes as Water Oxidation Electrocatalysts","authors":"Emine Ülker","doi":"10.18596/jotcsa.554229","DOIUrl":"https://doi.org/10.18596/jotcsa.554229","url":null,"abstract":"","PeriodicalId":17402,"journal":{"name":"Journal of the Turkish Chemical Society, Section A: Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67537253","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}
Sabitu Babatunde Olasupo, A. Uzairu, Gideon Adamu Shallangwa, S. Uba
The Norepinephrine transporter (NET) is a Na+/Cl- coupled neurotransmitter transporter responsible for reuptake of released norepinephrine (NE) into neural terminals in the brain, an important therapeutic agent used in the treatment of psychiatric disorders. A quantitative structural activity relationship (QSAR) investigation was carried out on 50 Molecules of NET Inhibitors to investigate their inhibitory potencies against norepinephrine transporter as novel agents for anti-psychotic disorders. The molecules were optimized by employing Density functional theory (DFT) with basis set of B3LYP/6-31G*. The genetic function Algorithm (GFA) approach was used to generate a highly predictive and statistically significant model with good correlation coefficient R2 Train = 0.952, Cross validated coefficient Q2cv = 0.870 and adjusted squared correlation coefficient R2adj = 0.898. The predictability and accuracy of the developed model was evaluated through external validation using test set molecules, Y-randomization and applicability domain techniques. The results of Molecular docking simulation by using two neurotransmitter transporters PDB ID 2A65 (resolution = 1.65 A ) and PDB ID 4M48 (resolution = 2.955 A) showed that two of the ligands (compound numbers 12 and 44) having higher binding affinity were observed to inhibit the targets by forming hydrogen bonds and hydrophobic interactions with amino acids of the two receptors respectively. The results of this study are envisaged to provide very important new insights into the molecular basis and structural requirements that would help in designing more potent and more specific therapeutic anti-psychotic agents.
去甲肾上腺素转运体(NET)是一种Na+/Cl-偶联的神经递质转运体，负责将释放的去甲肾上腺素(NE)再摄取到大脑的神经末梢，是治疗精神疾病的重要药物。采用定量构效关系(QSAR)研究了50种NET抑制剂作为抗精神病药物对去甲肾上腺素转运体的抑制作用。采用密度泛函理论(DFT)，以B3LYP/6-31G*为基集对分子进行优化。采用遗传函数算法(genetic function Algorithm, GFA)生成的模型具有良好的相关系数R2 Train = 0.952，交叉验证系数Q2cv = 0.870，调整后的平方相关系数R2adj = 0.898，具有较高的预测性和统计学显著性。通过使用测试集分子、y随机化和适用域技术进行外部验证，评估了所开发模型的可预测性和准确性。利用两种神经递质转运体PDB ID 2A65(分辨率= 1.65 A)和PDB ID 4M48(分辨率= 2.955 A)进行分子对接模拟，结果表明，两种具有较高结合亲和力的配体(化合物编号12和44)分别通过与两种受体的氨基酸形成氢键和疏水相互作用来抑制靶标。这项研究的结果预计将为分子基础和结构要求提供非常重要的新见解，这将有助于设计更有效和更特异性的治疗性抗精神病药物。
{"title":"Quantitative Structure-Activity Relationship (QSAR) Studies and Molecular docking Simulation of Norepinephrine Transporter (NET) Inhibitors as Anti-psychotic Therapeutic Agents","authors":"Sabitu Babatunde Olasupo, A. Uzairu, Gideon Adamu Shallangwa, S. Uba","doi":"10.18596/jotcsa.577259","DOIUrl":"https://doi.org/10.18596/jotcsa.577259","url":null,"abstract":"The Norepinephrine transporter (NET) is a Na+/Cl- coupled neurotransmitter transporter responsible for reuptake of released norepinephrine (NE) into neural terminals in the brain, an important therapeutic agent used in the treatment of psychiatric disorders. A quantitative structural activity relationship (QSAR) investigation was carried out on 50 Molecules of NET Inhibitors to investigate their inhibitory potencies against norepinephrine transporter as novel agents for anti-psychotic disorders. The molecules were optimized by employing Density functional theory (DFT) with basis set of B3LYP/6-31G*. The genetic function Algorithm (GFA) approach was used to generate a highly predictive and statistically significant model with good correlation coefficient R2 Train = 0.952, Cross validated coefficient Q2cv = 0.870 and adjusted squared correlation coefficient R2adj = 0.898. The predictability and accuracy of the developed model was evaluated through external validation using test set molecules, Y-randomization and applicability domain techniques. The results of Molecular docking simulation by using two neurotransmitter transporters PDB ID 2A65 (resolution = 1.65 A ) and PDB ID 4M48 (resolution = 2.955 A) showed that two of the ligands (compound numbers 12 and 44) having higher binding affinity were observed to inhibit the targets by forming hydrogen bonds and hydrophobic interactions with amino acids of the two receptors respectively. The results of this study are envisaged to provide very important new insights into the molecular basis and structural requirements that would help in designing more potent and more specific therapeutic anti-psychotic agents.","PeriodicalId":17402,"journal":{"name":"Journal of the Turkish Chemical Society, Section A: Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46297963","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}
In this study, gamma dose values were measured in the study area around a distance of 60 kmparallel to the Aegean Sea in Gure, Kucukkuyu and Kazdagi regions. In the study, gamma dose values were measured at 25 locations that best represent the area. These measurements were made by keeping the portable Eberline Smart Portable (ESP) scintillator detector constant at a height of 1 meter above ground level. A SPA-6 plastic scintillation sensor isconnected to the instrument tip to perform the measurement. These devices are direct measurement of external radiation. As the measurements were carried out in the open area,0.2 occupancy factor was used in the calculations. In the studies, the highest effective dose value was calculated as 0.3 mSv at the location 2 (Asos Kadirga Bay). The lowest effective dose value is 0.054 mSV at the 15th location (Avcilar Village Mountain slope) and the average annual gamma dose is 0.14 mSv. For the study area, when the lifetime risk of cancer was calculated using gamma effective dose values, it was determined at the highest 2 locations (1,2x10-3) and the lowest at the 15locations (0,21x10-3). The average lifetime cancer risk value (2,39x10 -4 ) of Turkey, were compared with values calculated in this study. In this comparison, the values of locations 9 and 15 were lower and the values of other locations were higher.
{"title":"GAMMA DOSE VALUES OF STRATIGRAPHIC UNITS SURFACED IN BEHRAMKALE (ÇANAKKALE) - ZEYTİNLİ (EDREMİT-BALIKESİR) SECTION OF KAZ MOUNTAINS","authors":"Z. Yümün, E. Kam, M. Önce","doi":"10.18596/jotcsa.565054","DOIUrl":"https://doi.org/10.18596/jotcsa.565054","url":null,"abstract":"In this study, gamma dose values were measured in the study area around a distance of 60 kmparallel to the Aegean Sea in Gure, Kucukkuyu and Kazdagi regions. In the study, gamma dose values were measured at 25 locations that best represent the area. These measurements were made by keeping the portable Eberline Smart Portable (ESP) scintillator detector constant at a height of 1 meter above ground level. A SPA-6 plastic scintillation sensor isconnected to the instrument tip to perform the measurement. These devices are direct measurement of external radiation. As the measurements were carried out in the open area,0.2 occupancy factor was used in the calculations. In the studies, the highest effective dose value was calculated as 0.3 mSv at the location 2 (Asos Kadirga Bay). The lowest effective dose value is 0.054 mSV at the 15th location (Avcilar Village Mountain slope) and the average annual gamma dose is 0.14 mSv. For the study area, when the lifetime risk of cancer was calculated using gamma effective dose values, it was determined at the highest 2 locations (1,2x10-3) and the lowest at the 15locations (0,21x10-3). The average lifetime cancer risk value (2,39x10 -4 ) of Turkey, were compared with values calculated in this study. In this comparison, the values of locations 9 and 15 were lower and the values of other locations were higher.","PeriodicalId":17402,"journal":{"name":"Journal of the Turkish Chemical Society, Section A: Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48394509","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}
{"title":"Syntheses, Spectroscopic and Crystallographic Characterizations of Novel Phosphazenes Bearing Ethyl p-Hydroxybenzoate and Pendant Ferrocenyl Groups","authors":"Y. Tümer, Mahmut Çayırbaşı, O. Şahin, T. Hökelek","doi":"10.18596/jotcsa.540169","DOIUrl":"https://doi.org/10.18596/jotcsa.540169","url":null,"abstract":"","PeriodicalId":17402,"journal":{"name":"Journal of the Turkish Chemical Society, Section A: Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67537231","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}
The major flavonoid glycoside in Syrian ficus leaves extracts (rutin) was identified quantitatively and isolated, then transformed into its aglycone (quercetin) by acidic hydrolysis of ethanolic and aqueous extracts. The influence of the hydrolysis process on isoquercitrin content was investigated too. The determination was carried out by high performance liquid chromatography, and the isolation done by thin layer chromatography plates, then identified by mass spectrum. Results showed that the rutin content in the ethanolic extract 78.79% was higher than the aqueous one 61.90%, by using ultrasonic extraction procedure, the quercetin content by hydrolysis process was more satisfaction in the ethanolic extract 81.00% than the aqueous one 72.53%. Acidic hydrolysis process destroyed some of the isoquercitrin in the extracts, the detection of isoquercitrin was done qualitatively by noticing the mass spectrum and the photo diode array spectrum. Rutin and quercetin were successfully isolated, the relative peak areas for isolated rutin and quercetin were 99.80%, 96.46%, respectively. It was concluded that rutin can be easily converted into quercetin by acidic hydrolysis, allowing the use of Syrian ficus leaves extracts as an optimal cheap natural antioxidants source.
{"title":"Determination of the isolated Rutin And Quercetin Contents In Syrian Ficus Carica L. Leaves Extracts","authors":"Shaza Alshaal, M. Daghestani, F. Karabet","doi":"10.18596/jotcsa.622442","DOIUrl":"https://doi.org/10.18596/jotcsa.622442","url":null,"abstract":"The major flavonoid glycoside in Syrian ficus leaves extracts (rutin) was identified quantitatively and isolated, then transformed into its aglycone (quercetin) by acidic hydrolysis of ethanolic and aqueous extracts. The influence of the hydrolysis process on isoquercitrin content was investigated too. The determination was carried out by high performance liquid chromatography, and the isolation done by thin layer chromatography plates, then identified by mass spectrum. Results showed that the rutin content in the ethanolic extract 78.79% was higher than the aqueous one 61.90%, by using ultrasonic extraction procedure, the quercetin content by hydrolysis process was more satisfaction in the ethanolic extract 81.00% than the aqueous one 72.53%. Acidic hydrolysis process destroyed some of the isoquercitrin in the extracts, the detection of isoquercitrin was done qualitatively by noticing the mass spectrum and the photo diode array spectrum. Rutin and quercetin were successfully isolated, the relative peak areas for isolated rutin and quercetin were 99.80%, 96.46%, respectively. It was concluded that rutin can be easily converted into quercetin by acidic hydrolysis, allowing the use of Syrian ficus leaves extracts as an optimal cheap natural antioxidants source.","PeriodicalId":17402,"journal":{"name":"Journal of the Turkish Chemical Society, Section A: Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44447061","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}
In this work, new trans-diamide derivatives were synthesized with the reaction between fumaryl chloride and substituted anilines. After successful synthesis of trans-amides, antioxidant activity of all synthesized molecules was investigated via DPPH method and calculated IC50 values. All trans-amides were characterized by 1H-NMR, 13C-NMR, 19F-NMR, GC-MS and FTIR spectroscopic techniques.
{"title":"Synthesis of trans-diamide derivatives from fumaryl chloride and determination of DPPH scavenging activity of synthesized molecules","authors":"Ö. Yılmaz","doi":"10.18596/jotcsa.627805","DOIUrl":"https://doi.org/10.18596/jotcsa.627805","url":null,"abstract":"In this work, new trans-diamide derivatives were synthesized with the reaction between fumaryl chloride and substituted anilines. After successful synthesis of trans-amides, antioxidant activity of all synthesized molecules was investigated via DPPH method and calculated IC50 values. All trans-amides were characterized by 1H-NMR, 13C-NMR, 19F-NMR, GC-MS and FTIR spectroscopic techniques.","PeriodicalId":17402,"journal":{"name":"Journal of the Turkish Chemical Society, Section A: Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44249962","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}
The aim of the study was to synthesise novel photo-exchangeable photochromic fluorescence compounds. Starting from N-butyl-4-bromo-3-iodo-1,8-naphthalimide new compounds: 3,4-Bis(3,5-dimethyl-4-pyrazolyl)-N-butyl-1,8-Naphthalimide 6 and 3,4-Bis (1,3,5-trimethyl-4-pyrazolyl)-N-butyl-1,8-Naphthalimide 7 were prepared via two step Suzuki coupling reaction of pyrazolyl boronic acid esters, and characterized by 1 H-NMR, 13 C-NMR, MS and FTIR. Their photochromic fluorescence properties were investigated. Additionally, a solvent effect on the fluorescence properties of 6 and 7 was investigated. Increase of organic solvent polarity results in a red shift (to longer wavelengths) of the fluorescence emissions.
{"title":"Investigation of Photochromic Fluorescence Features and Synthesis of Diarylethene Type Naphthalimide Compounds","authors":"Ersin Orhan, Mustafa Narin","doi":"10.18596/jotcsa.622256","DOIUrl":"https://doi.org/10.18596/jotcsa.622256","url":null,"abstract":"The aim of the study was to synthesise novel photo-exchangeable photochromic fluorescence compounds. Starting from N-butyl-4-bromo-3-iodo-1,8-naphthalimide new compounds: 3,4-Bis(3,5-dimethyl-4-pyrazolyl)-N-butyl-1,8-Naphthalimide 6 and 3,4-Bis (1,3,5-trimethyl-4-pyrazolyl)-N-butyl-1,8-Naphthalimide 7 were prepared via two step Suzuki coupling reaction of pyrazolyl boronic acid esters, and characterized by 1 H-NMR, 13 C-NMR, MS and FTIR. Their photochromic fluorescence properties were investigated. Additionally, a solvent effect on the fluorescence properties of 6 and 7 was investigated. Increase of organic solvent polarity results in a red shift (to longer wavelengths) of the fluorescence emissions.","PeriodicalId":17402,"journal":{"name":"Journal of the Turkish Chemical Society, Section A: Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43809436","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}
The free radical scavenging properties of 1,3,4-oxadiazoles have been explored by the application of quantitative structure activity relationship (QSAR) studies. The entire data set of the oxadiazole derivatives were minimized and subsequently optimized at the density functional theory (DFT) level in combination with the Becke's three-parameter Lee-Yang-Parr hybrid functional (B3LYP) hybrid functional and 6-311G* basis set. Kennard Stone algorithm was employed in data division into training and test sets. The training set were employed in QSAR model development by genetic function algorithm (GFA), while the test set were used to validate the developed models. The applicability domain of the developed model was accessed by the leverage approach. The varation inflation factor, degree of contribution and mean effect of each descriptor were calculated. Quantum chemical and molecular descriptors were generated for each molecule in the data set. Five predictive models that met all the requirements for acceptability with good validation results were developed. The best of the five models gave the following validation results: , , and c , rmsep . The QSAR analysis revealed that the sum of e-state descriptors of strength for potential hydrogen bonds of path length 9 ( SHBint9) and topological radius ( topoRadius ) are the most crucial descriptors that influence the free radical scavenging activities of 1,3,4-oxadiazole derivatives .
{"title":"Development of Predictive Antioxidant Models for 1,3,4-Oxadiazoles by Quantitative Structure Activity Relationship","authors":"I. O. Alisi, A. Uzairu, S. Abechi, S. Idris","doi":"10.18596/JOTCSA.406207","DOIUrl":"https://doi.org/10.18596/JOTCSA.406207","url":null,"abstract":"The free radical scavenging properties of 1,3,4-oxadiazoles have been explored by the application of quantitative structure activity relationship (QSAR) studies. The entire data set of the oxadiazole derivatives were minimized and subsequently optimized at the density functional theory (DFT) level in combination with the Becke's three-parameter Lee-Yang-Parr hybrid functional (B3LYP) hybrid functional and 6-311G* basis set. Kennard Stone algorithm was employed in data division into training and test sets. The training set were employed in QSAR model development by genetic function algorithm (GFA), while the test set were used to validate the developed models. The applicability domain of the developed model was accessed by the leverage approach. The varation inflation factor, degree of contribution and mean effect of each descriptor were calculated. Quantum chemical and molecular descriptors were generated for each molecule in the data set. Five predictive models that met all the requirements for acceptability with good validation results were developed. The best of the five models gave the following validation results: , , and c , rmsep . The QSAR analysis revealed that the sum of e-state descriptors of strength for potential hydrogen bonds of path length 9 ( SHBint9) and topological radius ( topoRadius ) are the most crucial descriptors that influence the free radical scavenging activities of 1,3,4-oxadiazole derivatives .","PeriodicalId":17402,"journal":{"name":"Journal of the Turkish Chemical Society, Section A: Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43784061","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}
In this study, 2H-1,1,3,4,4-pentachloro-1,3-butadiene ( 1 ) reacted with different thiols (2-Methyl-2-propanethiol 2a , Benzyl mercaptan 2b , 4-tert-butylbenzenethiol 2c , 4-Nitrothiophenol 2d ) in ethanol in the presence of NaOH to afford mono-thio-substituted-1,3-butadienes and mono- and tris-thio-substituted-1-buten-3-ynes. Among them, (4-tert-butylphenyl)(1,3,4,4-tetrachlorobuta-1,3-dienyl)sulfane ( 4c ) exhibited two isomers of mono products. And, the reaction of compound ( 1 ) with 2-Hydroxythiophenol ( 2e ) in dimethylformamide in the presence of triethylamine took place formation of OH protected butadiene structure 2-((Z)-1,3,4,4-tetrachlorobuta-1,3-dienylthio)phenol ( 4e ) and ring-closed butadiene structure (E)-2-(2,3,3-trichloroallylidene)benzo[d][1,3]oxathiole ( 6 ), together and with two isomers of each. Their structures identified on the basis of GC-MS(+EI) analysis with different retention times (RT). Characterization of the synthesized compounds was done using different methods, mass spectrometry (GC-MS(+EI)), 1 H-, 13 C-, APT- NMR, IR and elemental analysis.
{"title":"Synthesis of (Thio)substituted -1,3-Butadienes and -Butenynes","authors":"Aysecik Kacmaz","doi":"10.18596/JOTCSA.536853","DOIUrl":"https://doi.org/10.18596/JOTCSA.536853","url":null,"abstract":"In this study, 2H-1,1,3,4,4-pentachloro-1,3-butadiene ( 1 ) reacted with different thiols (2-Methyl-2-propanethiol 2a , Benzyl mercaptan 2b , 4-tert-butylbenzenethiol 2c , 4-Nitrothiophenol 2d ) in ethanol in the presence of NaOH to afford mono-thio-substituted-1,3-butadienes and mono- and tris-thio-substituted-1-buten-3-ynes. Among them, (4-tert-butylphenyl)(1,3,4,4-tetrachlorobuta-1,3-dienyl)sulfane ( 4c ) exhibited two isomers of mono products. And, the reaction of compound ( 1 ) with 2-Hydroxythiophenol ( 2e ) in dimethylformamide in the presence of triethylamine took place formation of OH protected butadiene structure 2-((Z)-1,3,4,4-tetrachlorobuta-1,3-dienylthio)phenol ( 4e ) and ring-closed butadiene structure (E)-2-(2,3,3-trichloroallylidene)benzo[d][1,3]oxathiole ( 6 ), together and with two isomers of each. Their structures identified on the basis of GC-MS(+EI) analysis with different retention times (RT). Characterization of the synthesized compounds was done using different methods, mass spectrometry (GC-MS(+EI)), 1 H-, 13 C-, APT- NMR, IR and elemental analysis.","PeriodicalId":17402,"journal":{"name":"Journal of the Turkish Chemical Society, Section A: Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42861261","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}
Two novel boron-dipyrromethene (BODIPY) based fluorescence turn-off sensors, which demonstrate high selectivity and sensitivity toward Fe 2+ and Fe 3+ ions have been reported. A simple and high yielded synthesis of fluorescent BODIPY derivatives with malonyl unit for sensitization have been described. This approach provides quick, high yielded and low-cost preparation of probes. The two sensors have been comprised of combination of one and two BODIPY fluorophore and a malonyl unit, substituted on meso position of BODIPYs. Synthesized BODIPY derivatives have been characterized via elemental analyses, mass spectrometry, 1 H and 13 C spectroscopy and their photophyisical properties were investigated by UV- Vis absorption and fluorescence emission spectroscopy. The synthesized sensors ( 2, 3 ) have been used as a fluorescent probe towards the selective and sensitive detection of biologically important Fe 2+ and Fe 3+ ions in tetrahydrofuran by fluorescence spectroscopy. The limit of detection (LOD) have been calculated to be for the BODIPY 2 , 14.61 (Fe 2+ ), 1.22 (Fe 3+ ) and for BODIPY 3 , 1.16 (Fe 2+ ) and 1.06 (Fe 3+ ).
{"title":"Novel probes for selective fluorometric sensing of Fe(II) and Fe(III) based on BODIPY dyes","authors":"Elif Şenkuytu, Elif Okutan","doi":"10.18596/JOTCSA.488181","DOIUrl":"https://doi.org/10.18596/JOTCSA.488181","url":null,"abstract":"Two novel boron-dipyrromethene (BODIPY) based fluorescence turn-off sensors, which demonstrate high selectivity and sensitivity toward Fe 2+ and Fe 3+ ions have been reported. A simple and high yielded synthesis of fluorescent BODIPY derivatives with malonyl unit for sensitization have been described. This approach provides quick, high yielded and low-cost preparation of probes. The two sensors have been comprised of combination of one and two BODIPY fluorophore and a malonyl unit, substituted on meso position of BODIPYs. Synthesized BODIPY derivatives have been characterized via elemental analyses, mass spectrometry, 1 H and 13 C spectroscopy and their photophyisical properties were investigated by UV- Vis absorption and fluorescence emission spectroscopy. The synthesized sensors ( 2, 3 ) have been used as a fluorescent probe towards the selective and sensitive detection of biologically important Fe 2+ and Fe 3+ ions in tetrahydrofuran by fluorescence spectroscopy. The limit of detection (LOD) have been calculated to be for the BODIPY 2 , 14.61 (Fe 2+ ), 1.22 (Fe 3+ ) and for BODIPY 3 , 1.16 (Fe 2+ ) and 1.06 (Fe 3+ ).","PeriodicalId":17402,"journal":{"name":"Journal of the Turkish Chemical Society, Section A: Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46099211","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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