首页 > 最新文献

Chemical science transactions最新文献

英文 中文
Binding Studies of Ruthenium(II) Polypyridyl Complexes with Quinones in Triton X-100 钌(II)多吡啶配合物与醌类化合物在Triton X-100中的结合研究
Pub Date : 2018-10-07 DOI: 10.7598/cst2018.1540
T. S. Celin, G. Raj
: The binding of Ru(II) polypyridyl complexes [Ru(bpy) 3 ] 2+ , [Ru(dmbpy) 3 ] 2+ with 1,4-benzoquinone (BQ) and 2,6-dimethyl -1,4-benzoquinone (DMBQ) have been studied in triton x-100 using absorption spectral technique. The binding constant (K b ) for these reactions are determined from the Benesi-Hildebrand equation by means of absorption intensity data. Values of the binding constant reveal that they depend on the nature of the ligand, medium and also on the structure of the quinones. The ground state interaction between the luminophore and the quencher are hydrophobic in nature. Hydrophobic and structural effects play a vital role on the binding of the quinones with Ru(II) complexes.
用吸收光谱技术在triton x-100中研究了Ru(II)多吡啶配合物[Ru(bpy) 3] 2+, [Ru(dmbpy) 3] 2+与1,4-苯醌(BQ)和2,6-二甲基-1,4-苯醌(DMBQ)的结合。这些反应的结合常数(kb)由吸收强度数据由Benesi-Hildebrand方程确定。结合常数的值表明,它们取决于配体、介质的性质,也取决于醌的结构。发光团与猝灭剂之间的基态相互作用本质上是疏水的。疏水和结构效应对醌类化合物与Ru(II)配合物的结合起着至关重要的作用。
{"title":"Binding Studies of Ruthenium(II) Polypyridyl Complexes with Quinones in Triton X-100","authors":"T. S. Celin, G. Raj","doi":"10.7598/cst2018.1540","DOIUrl":"https://doi.org/10.7598/cst2018.1540","url":null,"abstract":": The binding of Ru(II) polypyridyl complexes [Ru(bpy) 3 ] 2+ , [Ru(dmbpy) 3 ] 2+ with 1,4-benzoquinone (BQ) and 2,6-dimethyl -1,4-benzoquinone (DMBQ) have been studied in triton x-100 using absorption spectral technique. The binding constant (K b ) for these reactions are determined from the Benesi-Hildebrand equation by means of absorption intensity data. Values of the binding constant reveal that they depend on the nature of the ligand, medium and also on the structure of the quinones. The ground state interaction between the luminophore and the quencher are hydrophobic in nature. Hydrophobic and structural effects play a vital role on the binding of the quinones with Ru(II) complexes.","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81686161","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}
引用次数: 1
QSRR Study of Linear Retention Indices for Volatile Compounds using Statistical Methods 用统计方法研究挥发性化合物线性保留指数的QSRR
Pub Date : 2018-10-07 DOI: 10.7598/cst2018.1501
A. Belhassan, Samir CHTITA, T. Lakhlifi, M. Bouachrine
: ACD/ChemSketch, MarvinSketch and ChemOffice programs were used to calculate several molecular descriptors of 138 volatile compounds (32 hydrocarbons, 29 ketones, 28 aldehydes, 23 alcohols, 7 carboxylic acids, 6 halogenated compounds, 4 furans, 2 pyrazines, 1 ester, 1 sulphur compounds, 1 pyridine, 1 amine and three other compounds). The best descriptors were selected to establish the quantitative structure retention relationship (QSRR) of linear retention indices of volatile compounds using multiple linear regressions (MLR), multiple non-linear regressions (MNLR) and artificial neural network (ANN) methods. We propose quantitative models according to these analyses. The models were used to predict the linear retention indices of the test set compounds and agreement between the experimental and predicted values was verified. The descriptors showed by QSRR study were used for study and designing of new compounds. The statistical results indicate that the predicted values are in good agreement with the experimental results. To validate the predictive power of the resulting models, external validation multiple correlation coefficient was calculated and has both in addition to a performance prediction power, a favorable estimation of stability.
使用ACD/ChemSketch、marvinssketch和ChemOffice程序计算了138种挥发性化合物(32种碳氢化合物、29种酮类化合物、28种醛类化合物、23种醇类化合物、7种羧酸类化合物、6种卤代化合物、4种呋喃类化合物、2种吡嗪类化合物、1种酯类化合物、1种硫类化合物、1种吡啶类化合物、1种胺类化合物和3种其他化合物)的分子描述符。采用多元线性回归(MLR)、多元非线性回归(MNLR)和人工神经网络(ANN)等方法,选取最佳描述符建立挥发性化合物线性保留指标的定量结构保留关系(QSRR)。根据这些分析,我们提出了定量模型。利用该模型对测试集化合物的线性保留指数进行了预测,并验证了预测值与实验值的一致性。QSRR研究得到的描述子可用于新化合物的研究和设计。统计结果表明,预测值与实验结果吻合较好。为了验证所得模型的预测能力,计算了外部验证多重相关系数,并同时具有预测能力和良好的稳定性。
{"title":"QSRR Study of Linear Retention Indices for Volatile Compounds using Statistical Methods","authors":"A. Belhassan, Samir CHTITA, T. Lakhlifi, M. Bouachrine","doi":"10.7598/cst2018.1501","DOIUrl":"https://doi.org/10.7598/cst2018.1501","url":null,"abstract":": ACD/ChemSketch, MarvinSketch and ChemOffice programs were used to calculate several molecular descriptors of 138 volatile compounds (32 hydrocarbons, 29 ketones, 28 aldehydes, 23 alcohols, 7 carboxylic acids, 6 halogenated compounds, 4 furans, 2 pyrazines, 1 ester, 1 sulphur compounds, 1 pyridine, 1 amine and three other compounds). The best descriptors were selected to establish the quantitative structure retention relationship (QSRR) of linear retention indices of volatile compounds using multiple linear regressions (MLR), multiple non-linear regressions (MNLR) and artificial neural network (ANN) methods. We propose quantitative models according to these analyses. The models were used to predict the linear retention indices of the test set compounds and agreement between the experimental and predicted values was verified. The descriptors showed by QSRR study were used for study and designing of new compounds. The statistical results indicate that the predicted values are in good agreement with the experimental results. To validate the predictive power of the resulting models, external validation multiple correlation coefficient was calculated and has both in addition to a performance prediction power, a favorable estimation of stability.","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84084367","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}
引用次数: 3
Bio-Mimetic Catalase-like Activity, Corrosion Inhibition, Antibacterial, DFT and Spectroscopic Characterization of Mixed Ligand Complexes of 1,10-Phenanthroline with Dibasic Benzoin Schiff Base Ligand 1,10-邻菲罗啉与二碱型苯并苯甲酸席夫碱混合配体配合物的仿生过氧化氢酶活性、缓蚀、抗菌、DFT和光谱表征
Pub Date : 2018-10-07 DOI: 10.7598/cst2018.1519
S. Shukla, P. Gaur, Preeti Vaidya, B. Chaurasia, Sangeeta Jhariya
Four novel mix ligand complexes of manganese(II), iron(III), cobalt(II) and nickel(II) with dibasic tetra dentate Schiff base ligand BENZOEN and 1, 10-phenanthroline have been synthesized with the general composition of [M(BENZOEN)(1,10-phen)], where M = Mn(II), Co(II), Ni(II) and [Fe(BENZOEN)(1,10-phen)]Cl. The synthesized ligand and complexes were characterized on the basis of elemental analysis, molar conductance, magnetic susceptibility, ESIMS spectrometry, electronic spectra, FT-IR, H NMR and C NMR spectroscopy. Theoretical computation and combined experimental theoretical characterization were carrying out by Gaussian 09 software package using density functional theory (DFT) method to confirm the geometry of the investigated compounds. Additionally, molecular electrostatic potential map (MEP), HOMO, LUMO, NBO and Mullikan charge analysis were also been performed. Spectroscopic chracterization and DFT study proposed a distorted octahedral structure of complex 1-4. In vitro biomimetic catalase activity of the ligand and complexes was done by measuring amount of dioxygen evolve. Saturation kinetics of H2O2 decomposition was fitted to the Michaelis-Menten equation and Lineweaver-Burk plot. The antibacterial activity of the ligand and complexes against Escherichia coli shows complexes were found more potent than the BENZOEN. MIC of complexes shows that complex 2 is more active than other complexes even at lower concentration.
合成了锰(II)、铁(III)、钴(II)和镍(II)与双碱四齿希夫碱配体苯并和1,10-菲罗啉的四种新型混合配体配合物,其一般组成为[M(苯并)(1,10- phenen)],其中M = Mn(II)、Co(II)、Ni(II)和[Fe(苯并)(1,10-phen)]Cl。通过元素分析、摩尔电导、磁化率、ESIMS光谱、电子能谱、FT-IR、H - NMR和C - NMR对合成的配体和配合物进行了表征。利用Gaussian 09软件包进行理论计算和结合实验理论表征,采用密度泛函(DFT)方法确定所研究化合物的几何形状。此外,还进行了分子静电势图(MEP)、HOMO、LUMO、NBO和Mullikan电荷分析。光谱表征和DFT研究提出了配合物1-4的畸变八面体结构。通过测定配体和配合物的二氧析出量来测定其体外仿生过氧化氢酶活性。H2O2分解的饱和动力学符合Michaelis-Menten方程和Lineweaver-Burk图。配体和配合物对大肠杆菌的抑菌活性表明,配合物比苯并安更有效。配合物的MIC表明,配合物2即使在较低浓度下也比其他配合物具有更强的活性。
{"title":"Bio-Mimetic Catalase-like Activity, Corrosion Inhibition, Antibacterial, DFT and Spectroscopic Characterization of Mixed Ligand Complexes of 1,10-Phenanthroline with Dibasic Benzoin Schiff Base Ligand","authors":"S. Shukla, P. Gaur, Preeti Vaidya, B. Chaurasia, Sangeeta Jhariya","doi":"10.7598/cst2018.1519","DOIUrl":"https://doi.org/10.7598/cst2018.1519","url":null,"abstract":"Four novel mix ligand complexes of manganese(II), iron(III), cobalt(II) and nickel(II) with dibasic tetra dentate Schiff base ligand BENZOEN and 1, 10-phenanthroline have been synthesized with the general composition of [M(BENZOEN)(1,10-phen)], where M = Mn(II), Co(II), Ni(II) and [Fe(BENZOEN)(1,10-phen)]Cl. The synthesized ligand and complexes were characterized on the basis of elemental analysis, molar conductance, magnetic susceptibility, ESIMS spectrometry, electronic spectra, FT-IR, H NMR and C NMR spectroscopy. Theoretical computation and combined experimental theoretical characterization were carrying out by Gaussian 09 software package using density functional theory (DFT) method to confirm the geometry of the investigated compounds. Additionally, molecular electrostatic potential map (MEP), HOMO, LUMO, NBO and Mullikan charge analysis were also been performed. Spectroscopic chracterization and DFT study proposed a distorted octahedral structure of complex 1-4. In vitro biomimetic catalase activity of the ligand and complexes was done by measuring amount of dioxygen evolve. Saturation kinetics of H2O2 decomposition was fitted to the Michaelis-Menten equation and Lineweaver-Burk plot. The antibacterial activity of the ligand and complexes against Escherichia coli shows complexes were found more potent than the BENZOEN. MIC of complexes shows that complex 2 is more active than other complexes even at lower concentration.","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84729582","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}
引用次数: 0
Synthesis and Characterization of Some Adducts of O-Hexyl Dithiocarbonates of Nickel(II) with Heterocyclic Amines 含杂环胺的镍(II)邻己基二硫代碳酸酯加合物的合成与表征
Pub Date : 2018-10-07 DOI: 10.7598/cst2018.1496
Shivangi Sharma, R. Sachar, G. D. Bajju, Vikas Sharma
A series of adducts of o-hexyl dithiocarbonate of nickel(II) [(C6H13OCS2)2 Ni] have been synthesized in 1:2 molar ratio by the reaction of aqueous solution of NiCl2.6H2O with aqueous solution of potassium salt of o-hexyl dithiocarbonate. These complexes were further reacted with nitrogen donor ligands to obtain donor stabilized complex of the type [(C6H13OCS2)2 Ni.nL], (L=2-,3-,4cyanopyridines and 2-,3-,4-aminopyridines, n=2). These adducts were characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, IR and electronic spectral studies. The spectral studies revealed the trans octahedral geometry of the adducts around the Ni(II) metal ion. All the adducts were paramagnetic and non-electrolytic in nature. These complexes have also depicted the potential antifungal activity against the fungus Curvularia lunata.
以NiCl2.6H2O水溶液与邻己基二硫代碳酸钾水溶液为原料,以1:2的摩尔比合成了一系列镍(II) [(C6H13OCS2)2 Ni]的邻己基二硫代碳酸盐加合物。这些配合物进一步与氮供体配体反应,得到[(C6H13OCS2)2 Ni型供体稳定配合物。[L], (L=2-,3-,4 -氰吡啶和2-,3-,4-氨基吡啶,n=2)。这些加合物通过元素分析、摩尔电导、磁化率、红外光谱和电子光谱研究进行了表征。光谱研究揭示了Ni(II)金属离子周围加合物的反八面体几何结构。所有加合物均为顺磁性和非电解性质。这些复合物还具有潜在的抗真菌活性。
{"title":"Synthesis and Characterization of Some Adducts of O-Hexyl Dithiocarbonates of Nickel(II) with Heterocyclic Amines","authors":"Shivangi Sharma, R. Sachar, G. D. Bajju, Vikas Sharma","doi":"10.7598/cst2018.1496","DOIUrl":"https://doi.org/10.7598/cst2018.1496","url":null,"abstract":"A series of adducts of o-hexyl dithiocarbonate of nickel(II) [(C6H13OCS2)2 Ni] have been synthesized in 1:2 molar ratio by the reaction of aqueous solution of NiCl2.6H2O with aqueous solution of potassium salt of o-hexyl dithiocarbonate. These complexes were further reacted with nitrogen donor ligands to obtain donor stabilized complex of the type [(C6H13OCS2)2 Ni.nL], (L=2-,3-,4cyanopyridines and 2-,3-,4-aminopyridines, n=2). These adducts were characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, IR and electronic spectral studies. The spectral studies revealed the trans octahedral geometry of the adducts around the Ni(II) metal ion. All the adducts were paramagnetic and non-electrolytic in nature. These complexes have also depicted the potential antifungal activity against the fungus Curvularia lunata.","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81558287","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}
引用次数: 1
Synthesis and Biological Evaluation of Urea Derivatives of Combretastatins as Anticancer Agents 复合抑癌素脲衍生物的合成及生物学评价
Pub Date : 2018-10-07 DOI: 10.7598/cst2018.1525
V. Ramesh, G. Rao, B. Chakrapani, A. Chakravarthy
A series of new combretastatin urea derivatives (12a-j) were synthesized by reacting of substituted aromatic isocyanates (11a-j) to the combretastatin pyrazole-amine. The synthesized derivatives 11a-j were evaluated for their cytotoxicity against four human cancer cell lines (breast, lung and ovarian). Among them, compounds 12a, 12c, 12d, 12f, 12g and 12i were showed potent anticancer activity.
以取代芳香族异氰酸酯(11a-j)为原料,合成了一系列新的combretastatin脲衍生物(12a-j)。合成的衍生物11a-j对四种人类癌细胞系(乳腺癌、肺癌和卵巢癌)的细胞毒性进行了评价。其中化合物12a、12c、12d、12f、12g和12i具有较强的抗癌活性。
{"title":"Synthesis and Biological Evaluation of Urea Derivatives of Combretastatins as Anticancer Agents","authors":"V. Ramesh, G. Rao, B. Chakrapani, A. Chakravarthy","doi":"10.7598/cst2018.1525","DOIUrl":"https://doi.org/10.7598/cst2018.1525","url":null,"abstract":"A series of new combretastatin urea derivatives (12a-j) were synthesized by reacting of substituted aromatic isocyanates (11a-j) to the combretastatin pyrazole-amine. The synthesized derivatives 11a-j were evaluated for their cytotoxicity against four human cancer cell lines (breast, lung and ovarian). Among them, compounds 12a, 12c, 12d, 12f, 12g and 12i were showed potent anticancer activity.","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77478220","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}
引用次数: 1
Convenient Synthesis of Some Novel N3-Substituted 3, 4-Dihydropyrimidin-2(1H)-one Derivatives 新型n3 -取代3,4 -二氢嘧啶-2(1H)- 1衍生物的简便合成
Pub Date : 2018-10-07 DOI: 10.7598/cst2018.1543
R. Shastri
A simple and convenient method for the synthesis of N3-substituted 3,4-dihydropyrimidinones has been achieved by the condensation of 3,4-dihydropyrimidinones with benzoyl chloride in pyridine. The advantages of this method are excellent yields, short reaction time, no-side reaction, operational simplicity and ease in experimental procedure. The key intermediate 3,4dihydropyrimidin-2(1H)-ones have been synthesized by condensation of β-ketoester, aromatic aldehydes and N-methyl urea using PTSA.
以吡啶为原料,采用苯甲酰氯与3,4-二氢嘧啶酮缩合反应,获得了一种简便的合成n3 -取代3,4-二氢嘧啶酮的方法。该方法具有收率高、反应时间短、无副反应、操作简单、易于操作等优点。以β-酮酯、芳香醛和n-甲基脲为原料,经PTSA缩合反应合成了关键中间体3,4 -二氢嘧啶-2(1H)- 1。
{"title":"Convenient Synthesis of Some Novel N3-Substituted 3, 4-Dihydropyrimidin-2(1H)-one Derivatives","authors":"R. Shastri","doi":"10.7598/cst2018.1543","DOIUrl":"https://doi.org/10.7598/cst2018.1543","url":null,"abstract":"A simple and convenient method for the synthesis of N3-substituted 3,4-dihydropyrimidinones has been achieved by the condensation of 3,4-dihydropyrimidinones with benzoyl chloride in pyridine. The advantages of this method are excellent yields, short reaction time, no-side reaction, operational simplicity and ease in experimental procedure. The key intermediate 3,4dihydropyrimidin-2(1H)-ones have been synthesized by condensation of β-ketoester, aromatic aldehydes and N-methyl urea using PTSA.","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74353899","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}
引用次数: 0
Synthesis and Characterization of 9H-Carbazole-3-carbaldehyde-4-phenylthiosemicarbazone and 2-Thiophenecarboxaldehyde-4-methyl-thiosemicarbazone 9h -咔唑-3-碳醛-4-苯基硫代氨基脲和2-噻吩碳醛-4-甲基硫代氨基脲的合成与表征
Pub Date : 2018-10-07 DOI: 10.7598/cst2018.1545
N. R. Jyothi, N. Farook
: Two Schiff bases 9 H -carbazole-3-carbaldehyde-4-phenylthiosemicarbazone (CCPTSC) and 2-thiophenecarboxaldehyde-4-methylthiosemicarbazone (TCMTSC) were synthesized. Both the CCPTSC and TCMTSC were characterized by elemental analysis, molar conductivity studies, Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (NMR), and x-ray powder diffraction (XRD). All the spectral studies confirmed that the formation of both CCPTSC and TCMTSC. Thermal stabilities of the both Schiff bases were reported based on thermogravimetric analysis (TGA) studies. This paper describes synthesis and characterization of two new ligands namely, 9 H -carbazole-3-carbaldehyde-4-phenylthiosemicarbazone (CCPTSC) and 2-thiophene-carboxaldehyde-4-methylthiosemicarbazone (TCMTSC). These newly synthesized chelating agents were characterized with elemental analysis, Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (NMR), x-ray powder diffraction (XRD). The thermal stabilities of these compounds were established with thermogravimetric analysis studies.
合成了两个希夫碱9 H -咔唑-3-碳醛-4-苯基硫代氨基脲酮(CCPTSC)和2-噻吩碳醛-4-甲基硫代氨基脲酮(tccmtsc)。采用元素分析、摩尔电导率、傅里叶变换红外光谱(FT-IR)、核磁共振光谱(NMR)和x射线粉末衍射(XRD)对CCPTSC和tccmtsc进行了表征。所有的光谱研究都证实了CCPTSC和tccmtsc的形成。基于热重分析(TGA)研究报道了这两种希夫碱的热稳定性。本文介绍了9 H -咔唑-3-碳醛-4-苯基硫代氨基脲酮(CCPTSC)和2-噻吩-碳醛-4-甲基硫代氨基脲酮(tccmtsc)两种新配体的合成和表征。采用元素分析、傅里叶红外光谱(FT-IR)、核磁共振光谱(NMR)、x射线粉末衍射(XRD)等手段对新合成的螯合剂进行了表征。用热重分析方法确定了这些化合物的热稳定性。
{"title":"Synthesis and Characterization of 9H-Carbazole-3-carbaldehyde-4-phenylthiosemicarbazone and 2-Thiophenecarboxaldehyde-4-methyl-thiosemicarbazone","authors":"N. R. Jyothi, N. Farook","doi":"10.7598/cst2018.1545","DOIUrl":"https://doi.org/10.7598/cst2018.1545","url":null,"abstract":": Two Schiff bases 9 H -carbazole-3-carbaldehyde-4-phenylthiosemicarbazone (CCPTSC) and 2-thiophenecarboxaldehyde-4-methylthiosemicarbazone (TCMTSC) were synthesized. Both the CCPTSC and TCMTSC were characterized by elemental analysis, molar conductivity studies, Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (NMR), and x-ray powder diffraction (XRD). All the spectral studies confirmed that the formation of both CCPTSC and TCMTSC. Thermal stabilities of the both Schiff bases were reported based on thermogravimetric analysis (TGA) studies. This paper describes synthesis and characterization of two new ligands namely, 9 H -carbazole-3-carbaldehyde-4-phenylthiosemicarbazone (CCPTSC) and 2-thiophene-carboxaldehyde-4-methylthiosemicarbazone (TCMTSC). These newly synthesized chelating agents were characterized with elemental analysis, Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (NMR), x-ray powder diffraction (XRD). The thermal stabilities of these compounds were established with thermogravimetric analysis studies.","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75350265","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}
引用次数: 1
A Rare Case of Insecticide Mixture Attempted Homicidal Poisoning Using Cake as a Medium: A Case Report 一起罕见的以蛋糕为媒介的混合杀虫剂企图杀人中毒的案例报告
Pub Date : 2018-10-07 DOI: 10.7598/cst2018.1521
Charansing B. Ghoti, Shivangi S. Apte, M. Bhandarkar
: A 25 years old woman who ate her birthday cake, which was brought by her husband. After consumption of cake she felt some illness like irritation in chest and vomiting, so she was brought to hospital for treatment and doctors collected her gastric lavage during treatment. Chemical analysis of cake sample by thin layer chromatography and Gas chromatography-mass spectroscopy (GC-MS) revealed organophosphorus insecticide chlorpyrifos and pyrethroid insecticide cypermethrin, which confirmed intention of accused to cause health hazard to victim which may lead to homicide.
一个25岁的女人吃了她的生日蛋糕,这是她丈夫带来的。食用蛋糕后,她感到胸部刺激、呕吐等不适,被送往医院治疗,医生在治疗过程中收集了她的洗胃液。饼样经薄层色谱和气相色谱-质谱联用分析发现,饼样中含有有机磷类杀虫剂毒死蜱和拟除虫菊酯类杀虫剂氯氰菊酯,证实被告人有危害被害人健康的意图,可能导致他杀。
{"title":"A Rare Case of Insecticide Mixture Attempted Homicidal Poisoning Using Cake as a Medium: A Case Report","authors":"Charansing B. Ghoti, Shivangi S. Apte, M. Bhandarkar","doi":"10.7598/cst2018.1521","DOIUrl":"https://doi.org/10.7598/cst2018.1521","url":null,"abstract":": A 25 years old woman who ate her birthday cake, which was brought by her husband. After consumption of cake she felt some illness like irritation in chest and vomiting, so she was brought to hospital for treatment and doctors collected her gastric lavage during treatment. Chemical analysis of cake sample by thin layer chromatography and Gas chromatography-mass spectroscopy (GC-MS) revealed organophosphorus insecticide chlorpyrifos and pyrethroid insecticide cypermethrin, which confirmed intention of accused to cause health hazard to victim which may lead to homicide.","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78273591","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}
引用次数: 0
Theoretical Estimation of Non Linear Optical Properties of Organic Framework Containing p-Nitroaniline Linked to Naphthalene/azanaphthalene Through Saturated Carbon Chain 含对硝基苯胺通过饱和碳链连接萘/氮杂萘有机骨架非线性光学性质的理论估计
Pub Date : 2018-10-07 DOI: 10.7598/cst2018.1530
A. Varghese, M. George
Nonlinear optical (NLO) properties of N-substituted p-nitroaniline molecules, N-[3(naphthalene-1-yloxy)butyl]-4-nitroaniline (1), N-[3-(2,4,5-triazanaphthalene-1-yloxy)butyl]-4-nitroaniline (2) and N-[3-(2,4,5,7-tetraazanaphthalene-1-yloxy)butyl]-4-nitroaniline (3) have been calculated theoretically. The theoretical calculations were performed with three different hybrid density functional theories (DFT) i.e. BPV86, B3LYP and M-06 with 6-31++G (d,p) basis set. These molecular systems exhibit large first static hyperpolarizabilities. The optical response of these molecular systems is compared with that of p-nitroaniline, which is an excellent NLO dye. The result shows that, naphthalene or azanaphthalene derivatives of p-nitroaniline, exhibit large hyperpolarizability than p-nitroaniline and hence can be recommended for photovoltaic device fabrication.
从理论上计算了N-取代对硝基苯胺分子N-[3(萘-1-基氧基)丁基]-4-硝基苯胺(1)、N-[3-(2,4,5-三氮杂萘-1-基氧基)丁基]-4-硝基苯胺(2)和N-[3-(2,4,5,7-四氮杂萘-1-基氧基)丁基]-4-硝基苯胺(3)的非线性光学性质。采用BPV86、B3LYP和M-06 3种不同的混合密度泛函理论(DFT),以6-31++G (d,p)基集进行理论计算。这些分子体系表现出较大的第一静态超极化率。将这些分子体系的光学响应与对硝基苯胺的光学响应进行了比较,对硝基苯胺是一种优良的NLO染料。结果表明,萘或对硝基苯胺的氮杂萘衍生物比对硝基苯胺具有更高的超极化率,因此可以推荐用于光伏器件的制造。
{"title":"Theoretical Estimation of Non Linear Optical Properties of Organic Framework Containing p-Nitroaniline Linked to Naphthalene/azanaphthalene Through Saturated Carbon Chain","authors":"A. Varghese, M. George","doi":"10.7598/cst2018.1530","DOIUrl":"https://doi.org/10.7598/cst2018.1530","url":null,"abstract":"Nonlinear optical (NLO) properties of N-substituted p-nitroaniline molecules, N-[3(naphthalene-1-yloxy)butyl]-4-nitroaniline (1), N-[3-(2,4,5-triazanaphthalene-1-yloxy)butyl]-4-nitroaniline (2) and N-[3-(2,4,5,7-tetraazanaphthalene-1-yloxy)butyl]-4-nitroaniline (3) have been calculated theoretically. The theoretical calculations were performed with three different hybrid density functional theories (DFT) i.e. BPV86, B3LYP and M-06 with 6-31++G (d,p) basis set. These molecular systems exhibit large first static hyperpolarizabilities. The optical response of these molecular systems is compared with that of p-nitroaniline, which is an excellent NLO dye. The result shows that, naphthalene or azanaphthalene derivatives of p-nitroaniline, exhibit large hyperpolarizability than p-nitroaniline and hence can be recommended for photovoltaic device fabrication.","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78491686","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}
引用次数: 1
Synthesis and Characterization of 10-Hexyl-10H-phenothiazine-3-carbaldehyde-4-phenylthiosemi-carbazone and 4-Methylbenzaldehyde-4-methylthiosemicarbazone 10-己基-10 - h -吩噻嗪-3-卡丁醛-4-苯基硫代氨基卡丁酮和4-甲基苯甲醛-4-甲基硫代氨基卡丁酮的合成与表征
Pub Date : 2018-10-07 DOI: 10.7598/cst2018.1546
N. R. Jyothi, N. Farook
Two Schiff bases 10-hexyl-10H-phenothiazine-3-carbaldehyde-4-phenylthiosemicarbazone (HPCPTSC) and 4-methylbenzaldehyde-4-methylthiosemicarbazone (MBMTSC) were synthesized. Both the HPCPTSC and MBMTSC were characterized by elemental analysis, molar conductivity studies, Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (NMR) and x-ray powder diffraction (XRD). All the spectral studies confirmed that the formation of both HPCPTSC and MBMTSC. Thermal stabilities of the both Schiff bases were reported based on thermogravimetric analysis (TGA) studies
合成了两个希夫碱-10 -己基-10 -h -吩噻嗪-3-乙醛-4-苯基硫代氨基脲(HPCPTSC)和4-甲基苯甲醛-4-甲基硫代氨基脲(MBMTSC)。采用元素分析、摩尔电导率、傅里叶变换红外光谱(FT-IR)、核磁共振光谱(NMR)和x射线粉末衍射(XRD)对HPCPTSC和MBMTSC进行了表征。所有的光谱研究都证实了HPCPTSC和MBMTSC的形成。基于热重分析(TGA)研究报道了这两种希夫碱的热稳定性
{"title":"Synthesis and Characterization of 10-Hexyl-10H-phenothiazine-3-carbaldehyde-4-phenylthiosemi-carbazone and 4-Methylbenzaldehyde-4-methylthiosemicarbazone","authors":"N. R. Jyothi, N. Farook","doi":"10.7598/cst2018.1546","DOIUrl":"https://doi.org/10.7598/cst2018.1546","url":null,"abstract":"Two Schiff bases 10-hexyl-10H-phenothiazine-3-carbaldehyde-4-phenylthiosemicarbazone (HPCPTSC) and 4-methylbenzaldehyde-4-methylthiosemicarbazone (MBMTSC) were synthesized. Both the HPCPTSC and MBMTSC were characterized by elemental analysis, molar conductivity studies, Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (NMR) and x-ray powder diffraction (XRD). All the spectral studies confirmed that the formation of both HPCPTSC and MBMTSC. Thermal stabilities of the both Schiff bases were reported based on thermogravimetric analysis (TGA) studies","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72613331","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}
引用次数: 0
期刊
Chemical science transactions
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1