Despite the efficacy of imatinib therapy in chronic myelogenous leukemia, the development of drug-resistant Abl mutants, especially the most difficult overcoming T3151 mutant, makes the search for new Abl T3151 inhibi...Despite the efficacy of imatinib therapy in chronic myelogenous leukemia, the development of drug-resistant Abl mutants, especially the most difficult overcoming T3151 mutant, makes the search for new Abl T3151 inhibitors a very interesting challenge in medicinal chem- istry. In this work, a multistep computational framework combining the three dimensional quantitative structure-activity relationship （3D-QSAR）, molecular docking, molecular dy- namics （MD） simulation and binding free energy calculation, was performed to explore the structural requirements for the Abl T315I activities of benzimidazole/benzothiazole derivatives and the binding mechanism between the inhibitors and Abl T315I. The established 3D-QSAR models exhibited satisfactory internal and external predictability. Docking study elucidated the comformations of compounds and the key amino acid residues at the binding pocket, which were confirmed by MD simulation. The binding free energies correlated well with the experimental activities. The MM-GBSA energy decomposition revealed that the van der Waals interaction was the major driving force for the interaction between the ligands and Abl T3151. The hydrogen bond interactions between the inhibitors and Met318 also played an important role in stablizing the binding of compounds to Abl T315I. Finally, four new compounds with rather high Abl T3151 activities were designed and presented to experimenters for reference.展开更多
For efficient and quantitative DNA detection,fluorescence staining is the most often explored approach,which relies on non-covalent binding of dyes with double stranded DNA(dsDNA).Ethidium bromide(EB)is the most class...For efficient and quantitative DNA detection,fluorescence staining is the most often explored approach,which relies on non-covalent binding of dyes with double stranded DNA(dsDNA).Ethidium bromide(EB)is the most classic DNA stain,but suffers from its high carcinogenicity.A series of less toxic alternatives were developed,many of which contain the core structure of the benzothiazole ring.However,the relationship between the structure and the DNA detection performance was not illustrated.Herein,five benzothiazole dyes,namely thiazole orange,SYBR Green I,Pico Green,SYBR Safe,and thioflavine-T,were compared for DNA detection through direct fluorescence and gel electrophoresis,with particular focus on the structure-performance relationship.It turned out that SYBR Green I is currently the best choice for DNA detection.The results in this work may be useful for future DNA-staining dye developments.展开更多
A ratiometric probe(HBT-HBZ)bearing 2-hydrazino benzothiazole and 3-(benzo[d]thiazol-2-yl)-2-hydroxy-5-methylbenzaldehyde for sensing hypochlorous acid(HClO)with high selectivity and sensitivity is reported in this ar...A ratiometric probe(HBT-HBZ)bearing 2-hydrazino benzothiazole and 3-(benzo[d]thiazol-2-yl)-2-hydroxy-5-methylbenzaldehyde for sensing hypochlorous acid(HClO)with high selectivity and sensitivity is reported in this article.The fluorescence intensity ratios(I470nm/I572nm)of the probe with different concentrations of analyte showed excellent selectivity and a linear response to minor changes in HClO.The detection limit of 24 nmol/L suggests that the sensor is very sensitive to HClO.According to the series of performed experiments,HBT-HBZ has practical applications,such as the detection of HClO residues in tap water,which has been rarely reported.In addition,confocal laser microscopy experiments confirmed that HBT-HBZ can selectively recognize HClO in HeLa cells.A ratiometric probe(HBT-HBZ)for sensing HClO with high selectivity and sensitivity is reported in this article.The probe exhibited high selectivity for HClO among other ROS,RNS and anions.In addition,HBTHBZ has some practical applications such as the analysis of the HClO content in tap water.Furthermore,confocal fluorescence microscopy imaging showed that HBT-HBZ can be applied for detecting HClO in living cells.展开更多
A simple and efficient procedure for the synthesis of substituted benzothiazoles through condensation of 2-aminothiophenol with aromatic aldehydes in the presence of H2O2/HCl system in ethanol at room temperature is d...A simple and efficient procedure for the synthesis of substituted benzothiazoles through condensation of 2-aminothiophenol with aromatic aldehydes in the presence of H2O2/HCl system in ethanol at room temperature is described. The target compounds have been characterized by ^1H NMR, ^13C NMR, IR and MS. Short reaction time, easy and quick isolation of the products, and excellent yields are the main advantages of this procedure.展开更多
This paper demonstrates an all-optical switching model system comprising a single pulsed pump beam at 355 nm and a CW He-Ne signal beam at 632.8 nm with 2-（2＇-hydroxyphenyl）benzothiazole （HBT） in ethanol solution...This paper demonstrates an all-optical switching model system comprising a single pulsed pump beam at 355 nm and a CW He-Ne signal beam at 632.8 nm with 2-（2＇-hydroxyphenyl）benzothiazole （HBT） in ethanol solution. The origins of the optical switching effect were discussed. By the study of nonlinear optical properties for HBT in ethanol solvent, this paper verified that the excited-state intramolecular proton transfer （ESIPT） effect of HBT and the thermal effect of solvent worked on quite different time scales and together induced the change of the refractive index of HBT solution, leading to the signal beam deflection. The results indicated that the HBT molecule could be an excellent candidate for high-speed and high-sensitive optical switching devices.展开更多
A homologous series of heterocycles,6-methyl-2-（4-alkoxybenzylidenamino）benzothiazoles,were synthesized and characterized using FT-IR,^1H and ^（13）C NMR and mass spectrometric analysis.Enantiotropic nematic phase ...A homologous series of heterocycles,6-methyl-2-（4-alkoxybenzylidenamino）benzothiazoles,were synthesized and characterized using FT-IR,^1H and ^（13）C NMR and mass spectrometric analysis.Enantiotropic nematic phase was observed for shorter members.Smectic A phase only emerged from octyloxy derivative onwards.The terminal methyl group at the benzothiazole fragment and the Schiff base linkage influenced the mesomorphic behavior of the present series.展开更多
The object of this study is to prepare iron species-impregnated granular activated carbon as particle electrodes in order to improve their adsorption and electrocatalytic degradation capacity in Benzothiazole removal....The object of this study is to prepare iron species-impregnated granular activated carbon as particle electrodes in order to improve their adsorption and electrocatalytic degradation capacity in Benzothiazole removal.The incorporation of Fe-containing catalysts was performed by Fe(NO_3)_3 impregnation.The obtained samples were characterized by BET,Fourier transform infrared spectroscopy,SEM-EDS,powder X-ray diffraction,X-ray photoelectron spectra and TG.Compared with pure activated carbon,this modified particle electrodes show higher static adsorption capacities and TOC removal,which have respectively increased by25.9% and 54.4%.Both physisorption and chemisorption exist in the process of benzothiazole adsorption,where the latter plays a major role.In this way,the Fe-containing catalysts on modified particle electrodes are demonstrated to make a greater contribution to the improvement of electrocatalytic degradation by decreasing the activated energy by 32%.展开更多
Zn(Ⅱ), Ni(Ⅱ) and Co(Ⅱ) compounds(1～3) based on 2-(2-pyridyl)benzothiazole(bpt) and terephthalic acid(PTA) were synthesized. The crystal structures of [Zn(bpt)(PTA)2](1), [Ni(bpt)(PTA)2](2), and [Co(bpt)(PTA)2](3) ...Zn(Ⅱ), Ni(Ⅱ) and Co(Ⅱ) compounds(1～3) based on 2-(2-pyridyl)benzothiazole(bpt) and terephthalic acid(PTA) were synthesized. The crystal structures of [Zn(bpt)(PTA)2](1), [Ni(bpt)(PTA)2](2), and [Co(bpt)(PTA)2](3) have been determined by single-crystal X-ray diffraction analysis, which shows that all the three complexes belong to monoclinic system with space group P21/c. Time-dependent density functional theory(TD-DFT) calculation is performed on a reference structure of compound 3. The excited electrons mainly localized at the π* of ligand 2-(2-pyridyl)benzothiazole, which will be convenient for them to bind with the DNA reacting sites. Fluorescence spectroscopy, ultraviolet(UV) spectroscopy and viscosity were used to characterize the interaction of the compounds with Calf thymus DNA(CT-DNA). The results indicate that compounds 1～3 bind to CT-DNA and have a strong interaction with DNA. The compounds can probably bind to CT-DNA via a non-intercalative mode as concluded by studying the viscosity of a DNA solution in the presence of the compounds. This combination can effectively break DNA, which speculates that these three compounds may interact with the cancer cell DNA in this binding mode, thereby damaging the cancer cells.展开更多
Two novel fluorescent calix[4]arene derivatives la and lb with benzoxazole or benzothiazole units in 1,3-alternate conformation have been synthesized and characterized by IR, ^1H NMR, ^13C NMR and MS. Their complexati...Two novel fluorescent calix[4]arene derivatives la and lb with benzoxazole or benzothiazole units in 1,3-alternate conformation have been synthesized and characterized by IR, ^1H NMR, ^13C NMR and MS. Their complexation properties to different heavy and transition metal ions have been studied by UV-vis spectroscopy and fluorescence spectrometer. Compounds 1a and 1b show selective recognition to Fe^3＋ and Cr^3＋.展开更多
Recently, water treatment by ionizing radiation has gained increasing attention as a powerful technology for the destruction of refractory pollutants. 2-Mercaptobenzothiazole（MBT） is known as a widespread, toxic and...Recently, water treatment by ionizing radiation has gained increasing attention as a powerful technology for the destruction of refractory pollutants. 2-Mercaptobenzothiazole（MBT） is known as a widespread, toxic and poorly biodegradable pollutant. This paper studied the gamma irradiation of aqueous solutions of MBT. Moreover, the effect of the addition of persulfate（S2O82-） on the radiolytic destruction of MBT was investigated. The main transformation products of the studied compound were detected and the sequence of occurrence of the products was described. The change of biodegradability of MBT solution was also observed. The main results obtained in this study indicated that gamma radiation was effective for removing MBT in aqueous solution. Persulfate addition, which induced the formation of reactive sulfate radicals（SO4-U）, greatly enhanced the degradation of MBT. Benzothiazole was identified as the first radiation product, followed by 2-hydroxybenzothiazole. Decomposition of MBT started with the oxidation of –SH groups to sulfate ions. Possible pathways for MBT decomposition by gamma irradiation were proposed. The BOD/COD ratios of MBT samples were increased after radiation,indicating the improvement of biodegradability and reduction of toxicity.展开更多
A homologous series of benzothiazole derivatives, 6-methoxy-2-（4-alkanoyloxybenzylidenamino）benzothiazoles, were synthesized and characterized using FT-IR, ^1H and ^13C NMR, mass spectrometry and elemental analysis....A homologous series of benzothiazole derivatives, 6-methoxy-2-（4-alkanoyloxybenzylidenamino）benzothiazoles, were synthesized and characterized using FT-IR, ^1H and ^13C NMR, mass spectrometry and elemental analysis. Enantiotropic nematic phase was observed throughout the entire series. Smectic C phase only emerged from the decanoyloxy derivative onwards. The terminal methoxyl group and the ester linkage influenced the mesomorphic behavior of the present series.展开更多
The YCl3-catalyzed aerobic oxidative cyclization reaction for the synthesis of benzothiazoles has been developed. This method provides a practical, effective and green synthetic approach to benzothiazoles which are im...The YCl3-catalyzed aerobic oxidative cyclization reaction for the synthesis of benzothiazoles has been developed. This method provides a practical, effective and green synthetic approach to benzothiazoles which are important units in many biologically active compounds.展开更多
Benzimidazoles, benzoxazoles, and benzothiazoles derivatives were synthesized from condensation of aldehydes and 1,2-phenylenediamine or ortho-aminophenol or ortho-aminothiophenol in the presence of catalytic amount o...Benzimidazoles, benzoxazoles, and benzothiazoles derivatives were synthesized from condensation of aldehydes and 1,2-phenylenediamine or ortho-aminophenol or ortho-aminothiophenol in the presence of catalytic amount of Fe（Ⅲ）-Schiff base/SBA-15 in water medium. Short reaction times, good to excellent yields, easy availability, reusability, and use of an eco-friendly catalyst are some of the significant attributes of the present method.展开更多
Two novel ashless additives - benzothiazole derivatives containing boron and chlorine, OBC and BBC, were synthesized. The tribological performances of OBC and BBC at different mass ratios as additives in rapeseed oil ...Two novel ashless additives - benzothiazole derivatives containing boron and chlorine, OBC and BBC, were synthesized. The tribological performances of OBC and BBC at different mass ratios as additives in rapeseed oil （RO） were examined on a four-ball machine. The worn surfaces of the lower steel balls lubricated by oil samples were analyzed by means of scanning electron microscopy （SEM）. The test results showed that OBC and BBC had good solubility in the base oil, and could effectively increase the load-carrying capacity of the base oil. The maximum non-seizure load of oil sample containing 1.5 m% BBC was 1117 N, which was 2.3 times as much as that of the base oil. Both OBC and BBC could improve the anti-wear and corrosion inhibiting performance and thermal stability of the base oil, whose initial decomposition temperatures was above 350 ~C. However, OBC and BBC at different concentrations could increase the friction coefficient of the base oil. The SEM morphology of steel balls lubricated by oil samples containing 1.5 m% additives seemed to be more uniform and smoother than that of the base oil, and the scars formed were very shallow.展开更多
One-pot condensation of 2-aminothiophenol or 1,2-phenylenediamine with different aldehydes has been catalyzed by hexamethylenetetramine-bromine（HMTA-Bromine） as new,available and effective catalyst.2-Arylbenzo thiaz...One-pot condensation of 2-aminothiophenol or 1,2-phenylenediamine with different aldehydes has been catalyzed by hexamethylenetetramine-bromine（HMTA-Bromine） as new,available and effective catalyst.2-Arylbenzo thiazoles and 2-aryl benzimidazoles have been achieved in excellent yield and good purity.展开更多
A new ligand 2-（4,5-dihydro-2-thiazolyl）-6-methoxyl benzothiazole and its new dinuclear Co（II） coordination complex [Co（C11H10N2OS2）Cl2]2·2CHCl3 （1） have been synthesized and characterized. Complex 1 was ...A new ligand 2-（4,5-dihydro-2-thiazolyl）-6-methoxyl benzothiazole and its new dinuclear Co（II） coordination complex [Co（C11H10N2OS2）Cl2]2·2CHCl3 （1） have been synthesized and characterized. Complex 1 was synthesized by the reaction of Co（II） salt with 2-（4,5-dihydro- 2-thiazolyl）-6-methoxyl benzothiazole under room-temperature evaporation condition and struc- turally characterized by single-crystal X-ray diffraction analysis and IR spectroscopy. The supramolecular network of complex 1 is stabilized by the presence of intermolecular interaction, such as C-H···Cl hydrogen bonding and π-π stacking. The complex crystallizes in triclinic, space group P1 with a = 8.3288（12）, b = 10.5273（15）, c = 10.822（2）, α = 93.416（3）, β = 90.864（3）, γ = 94.890（3）o, V = 943.60（2）3, Z = 2, Dc = 1.758 g/cm3, F（000） = 498 and μ = 1.840 mm-1. The final complex [Co（C11H10N2OS2）Cl2]2·2CHCl3 is a diplex bridged dinuclear complex consisting of two Co（II） ions, two ligands, two bridging Cl- anions and two terminal Cl- anions.展开更多
A novel ternary complex of Cu（pcpa）2（aben）2 （pcpa=p-chlorophenoxyacetic acid anion,aben=2-amino benzothiazole） was synthesized by the reaction of copper acetate,2-amino benzothiazole and p-chlorophenoxyacetic ac...A novel ternary complex of Cu（pcpa）2（aben）2 （pcpa=p-chlorophenoxyacetic acid anion,aben=2-amino benzothiazole） was synthesized by the reaction of copper acetate,2-amino benzothiazole and p-chlorophenoxyacetic acid.Elemental analysis,IR,UV and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure.The crystal crystalli-zes in the monoclinic system,space group C2/c with a=25.795（4）,b=7.384（3）,c =17.741（6）,β=107.47（2）°,C30H24Cl2CuN4O6S2,Mr=735.09,V=3223.2（18） 3,Z=4,Dc=1.515 Mg/m3,λ（MoKα）=0.71073 ,μ=1.022 mm-1,F（000）=1500,the final R=0.0464 and wR=0.1244.A total of 3218 unique reflections were collected,of which 2228 with I 〉 2σ（I） were observed.The Cu（II） atom is four-coordinated with two carboxylate oxygen atoms of the two pcpa ligands and two nitrogen atoms in thiazole rings of two aben ligands.The analysis of crystal structure shows intermolecular and intramolecular hydrogen bonds between amino-nitrogen atoms of the two aben ligands and carboxylate oxygen atoms of the two pcpa ligands.The antimicrobial properties of the title complex and its two free ligands were tested against representative bacterial and fungal strains.Results show that the antibacterial activity of the complex is less than or equal to that of 2-amino benzothiazole,but for yeasts and moulds,it exhibits excellent inhibitory effect better than that of its two free ligands.展开更多
A benzothiazole-based compound 1, C28H24N4O2S, has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 9.6309（14）, b = 15.230（2）, c = 1...A benzothiazole-based compound 1, C28H24N4O2S, has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 9.6309（14）, b = 15.230（2）, c = 17.197（3）A, β = 105.222（2）°, V = 2433.9（6） A^3, Z = 4, F（000） = 1008, Dc = 1.311 Mg/m^3, Mr = 480.57, μ = 0.166 mm^-1, the final R = 0.0509 and wR = 0.1481 for 6643 observed reflections with I 〉 2σ（I）. The crystal structure of compound 1 is stabilized by C–H…O, N–H…N, N–H…O, O–H…N and C–H…N hydrogen bonds. The spectroscopic studies of the title compound toward various metal ions were also investigated in 25%（V/V） ethanol aqueous solution, and the result showed that it can selectively recognize Cu^2＋ with fluorescence quenching.展开更多
In this paper, the synthesis of new mesomorphic benzothiazolyl derivatives, 6-ethoxy-2-[4-（4- alkyloxybenzoyloxy）benzylidenamino]benzothiazoles, is presented. The structures of the title compounds were elucidated us...In this paper, the synthesis of new mesomorphic benzothiazolyl derivatives, 6-ethoxy-2-[4-（4- alkyloxybenzoyloxy）benzylidenamino]benzothiazoles, is presented. The structures of the title compounds were elucidated using spectroscopic techniques, such as FT-IR, NMR （1H and 13C）, elemental analysis and El-MS. The mesomorphic behaviours of these compounds were determined by differential scanning calorimetric and polarizing optical microscopic techniques. Compounds exhibited nematic and tilted smectic phases upon heating from crystal phase. An obvious odd-even effect was observed in this homologous series.展开更多
A new series of benzothiazole Schiff bases 3–29 was synthesized and screened for antitumor activity against cervical cancer（Hela） and kidney fibroblast cancer（COS-7） cell lines. Results indicated that compounds 3...A new series of benzothiazole Schiff bases 3–29 was synthesized and screened for antitumor activity against cervical cancer（Hela） and kidney fibroblast cancer（COS-7） cell lines. Results indicated that compounds 3, 14, 19, 27 and 28 have promising activity against Hela cell line with IC50 values of 2.41,3.06, 6.46, 2.22 and 6.25 mmol/L, respectively, in comparison to doxorubicin as a reference antitumor agent（IC50 2.05 mmol/L）. In addition, compound 3 displayed excellent activity against COS-7 cell line with IC50 value of 4.31 mmol/L in comparison to doxorubicin（IC50 3.04 mmol/L）. In the present work,structure based pharmacophore mapping, molecular docking, protein-ligand interaction, fingerprints and binding energy calculations were employed in a virtual screening strategy to identify the interaction between the compounds and the active site of the putative target, EGFR tyrosine kinase. Molecular properties, toxicity, drug-likeness, and drug score profiles of compounds 3, 14, 19, 27, 28 and 29 were also assessed.展开更多
文摘Despite the efficacy of imatinib therapy in chronic myelogenous leukemia, the development of drug-resistant Abl mutants, especially the most difficult overcoming T3151 mutant, makes the search for new Abl T3151 inhibitors a very interesting challenge in medicinal chem- istry. In this work, a multistep computational framework combining the three dimensional quantitative structure-activity relationship （3D-QSAR）, molecular docking, molecular dy- namics （MD） simulation and binding free energy calculation, was performed to explore the structural requirements for the Abl T315I activities of benzimidazole/benzothiazole derivatives and the binding mechanism between the inhibitors and Abl T315I. The established 3D-QSAR models exhibited satisfactory internal and external predictability. Docking study elucidated the comformations of compounds and the key amino acid residues at the binding pocket, which were confirmed by MD simulation. The binding free energies correlated well with the experimental activities. The MM-GBSA energy decomposition revealed that the van der Waals interaction was the major driving force for the interaction between the ligands and Abl T3151. The hydrogen bond interactions between the inhibitors and Met318 also played an important role in stablizing the binding of compounds to Abl T315I. Finally, four new compounds with rather high Abl T3151 activities were designed and presented to experimenters for reference.
基金the Major Scientific and Technological Application Program of Chengdu(No.2019-YF09-0081-SN)the Major Scientific and Technological Special Program of Sichuan Province(No.2018SZDZX0027)the Fundamental Research Funds for Central Universities(No.2018SCUH0075)。
文摘For efficient and quantitative DNA detection,fluorescence staining is the most often explored approach,which relies on non-covalent binding of dyes with double stranded DNA(dsDNA).Ethidium bromide(EB)is the most classic DNA stain,but suffers from its high carcinogenicity.A series of less toxic alternatives were developed,many of which contain the core structure of the benzothiazole ring.However,the relationship between the structure and the DNA detection performance was not illustrated.Herein,five benzothiazole dyes,namely thiazole orange,SYBR Green I,Pico Green,SYBR Safe,and thioflavine-T,were compared for DNA detection through direct fluorescence and gel electrophoresis,with particular focus on the structure-performance relationship.It turned out that SYBR Green I is currently the best choice for DNA detection.The results in this work may be useful for future DNA-staining dye developments.
基金the National Key Research and Development Program of China(No.2018YFA0902200)the National Natural Science Foundation of China(Nos.21722605,21978131 and 21878156)+1 种基金the Six Talent Peaks Project in Jiangsu Province(No.XCL-034)the Project of Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)。
文摘A ratiometric probe(HBT-HBZ)bearing 2-hydrazino benzothiazole and 3-(benzo[d]thiazol-2-yl)-2-hydroxy-5-methylbenzaldehyde for sensing hypochlorous acid(HClO)with high selectivity and sensitivity is reported in this article.The fluorescence intensity ratios(I470nm/I572nm)of the probe with different concentrations of analyte showed excellent selectivity and a linear response to minor changes in HClO.The detection limit of 24 nmol/L suggests that the sensor is very sensitive to HClO.According to the series of performed experiments,HBT-HBZ has practical applications,such as the detection of HClO residues in tap water,which has been rarely reported.In addition,confocal laser microscopy experiments confirmed that HBT-HBZ can selectively recognize HClO in HeLa cells.A ratiometric probe(HBT-HBZ)for sensing HClO with high selectivity and sensitivity is reported in this article.The probe exhibited high selectivity for HClO among other ROS,RNS and anions.In addition,HBTHBZ has some practical applications such as the analysis of the HClO content in tap water.Furthermore,confocal fluorescence microscopy imaging showed that HBT-HBZ can be applied for detecting HClO in living cells.
基金Education Department of Zhejiang Province(No.20060811) for the financial support of this work.
文摘A simple and efficient procedure for the synthesis of substituted benzothiazoles through condensation of 2-aminothiophenol with aromatic aldehydes in the presence of H2O2/HCl system in ethanol at room temperature is described. The target compounds have been characterized by ^1H NMR, ^13C NMR, IR and MS. Short reaction time, easy and quick isolation of the products, and excellent yields are the main advantages of this procedure.
基金Project supported by the National Natural Science Foundation of China （Grant No 60178025） and the Key Laboratory of 0ptoelectronics Information Technical Science of Ministry of Education, Institute of Modern 0ptics, Nankai University, China.
文摘This paper demonstrates an all-optical switching model system comprising a single pulsed pump beam at 355 nm and a CW He-Ne signal beam at 632.8 nm with 2-（2＇-hydroxyphenyl）benzothiazole （HBT） in ethanol solution. The origins of the optical switching effect were discussed. By the study of nonlinear optical properties for HBT in ethanol solvent, this paper verified that the excited-state intramolecular proton transfer （ESIPT） effect of HBT and the thermal effect of solvent worked on quite different time scales and together induced the change of the refractive index of HBT solution, leading to the signal beam deflection. The results indicated that the HBT molecule could be an excellent candidate for high-speed and high-sensitive optical switching devices.
基金Universiti Tunku Abdul Rahman and Ministry of Higher Education (MOHE) for the financial supports via LRGS(No.LR003-2011A)and research facilities
文摘A homologous series of heterocycles,6-methyl-2-（4-alkoxybenzylidenamino）benzothiazoles,were synthesized and characterized using FT-IR,^1H and ^（13）C NMR and mass spectrometric analysis.Enantiotropic nematic phase was observed for shorter members.Smectic A phase only emerged from octyloxy derivative onwards.The terminal methyl group at the benzothiazole fragment and the Schiff base linkage influenced the mesomorphic behavior of the present series.
基金Sponsored by Major Science and Technology Program for Water Pollution Control and Treatment(Grant No.2013ZX07201007)the Program for New Century Excellent Talents in University(Grant No.NCET-11-0795)
文摘The object of this study is to prepare iron species-impregnated granular activated carbon as particle electrodes in order to improve their adsorption and electrocatalytic degradation capacity in Benzothiazole removal.The incorporation of Fe-containing catalysts was performed by Fe(NO_3)_3 impregnation.The obtained samples were characterized by BET,Fourier transform infrared spectroscopy,SEM-EDS,powder X-ray diffraction,X-ray photoelectron spectra and TG.Compared with pure activated carbon,this modified particle electrodes show higher static adsorption capacities and TOC removal,which have respectively increased by25.9% and 54.4%.Both physisorption and chemisorption exist in the process of benzothiazole adsorption,where the latter plays a major role.In this way,the Fe-containing catalysts on modified particle electrodes are demonstrated to make a greater contribution to the improvement of electrocatalytic degradation by decreasing the activated energy by 32%.
基金Supported by the Foundation for Jilin of China of 2014 Human Resources Developmentthe Natural Science Project Foundation of Education Department of Jilin Province(No.2015358)the Natural Science Foundation of Changchun Normal University(No.201203)
文摘Zn(Ⅱ), Ni(Ⅱ) and Co(Ⅱ) compounds(1～3) based on 2-(2-pyridyl)benzothiazole(bpt) and terephthalic acid(PTA) were synthesized. The crystal structures of [Zn(bpt)(PTA)2](1), [Ni(bpt)(PTA)2](2), and [Co(bpt)(PTA)2](3) have been determined by single-crystal X-ray diffraction analysis, which shows that all the three complexes belong to monoclinic system with space group P21/c. Time-dependent density functional theory(TD-DFT) calculation is performed on a reference structure of compound 3. The excited electrons mainly localized at the π* of ligand 2-(2-pyridyl)benzothiazole, which will be convenient for them to bind with the DNA reacting sites. Fluorescence spectroscopy, ultraviolet(UV) spectroscopy and viscosity were used to characterize the interaction of the compounds with Calf thymus DNA(CT-DNA). The results indicate that compounds 1～3 bind to CT-DNA and have a strong interaction with DNA. The compounds can probably bind to CT-DNA via a non-intercalative mode as concluded by studying the viscosity of a DNA solution in the presence of the compounds. This combination can effectively break DNA, which speculates that these three compounds may interact with the cancer cell DNA in this binding mode, thereby damaging the cancer cells.
基金Natural Science Foundation of Tianjin(No.07JCZDJC00300)Tianjin International Coorperation Program of Science and Technology(No.08ZCGHHZ00400)
文摘Two novel fluorescent calix[4]arene derivatives la and lb with benzoxazole or benzothiazole units in 1,3-alternate conformation have been synthesized and characterized by IR, ^1H NMR, ^13C NMR and MS. Their complexation properties to different heavy and transition metal ions have been studied by UV-vis spectroscopy and fluorescence spectrometer. Compounds 1a and 1b show selective recognition to Fe^3＋ and Cr^3＋.
基金the National Hi-Tech Research and Development Program(863)of China(No.2009AA063905)supported by the Chinese Ministry of Science and Technology and the Independent Research Project(No.20101081929)supported by Tsinghua University
文摘Recently, water treatment by ionizing radiation has gained increasing attention as a powerful technology for the destruction of refractory pollutants. 2-Mercaptobenzothiazole（MBT） is known as a widespread, toxic and poorly biodegradable pollutant. This paper studied the gamma irradiation of aqueous solutions of MBT. Moreover, the effect of the addition of persulfate（S2O82-） on the radiolytic destruction of MBT was investigated. The main transformation products of the studied compound were detected and the sequence of occurrence of the products was described. The change of biodegradability of MBT solution was also observed. The main results obtained in this study indicated that gamma radiation was effective for removing MBT in aqueous solution. Persulfate addition, which induced the formation of reactive sulfate radicals（SO4-U）, greatly enhanced the degradation of MBT. Benzothiazole was identified as the first radiation product, followed by 2-hydroxybenzothiazole. Decomposition of MBT started with the oxidation of –SH groups to sulfate ions. Possible pathways for MBT decomposition by gamma irradiation were proposed. The BOD/COD ratios of MBT samples were increased after radiation,indicating the improvement of biodegradability and reduction of toxicity.
基金Universiti Tunku Abdul Rahrnan(UTAR) for the research facilities and financial support(No.6202/K06)the Malaysian Toray Science Foundation(No.4359/000) for funding this project.T.M.Koh would like to acknowledge UTAR for the award of the research and teaching assistantships.
文摘A homologous series of benzothiazole derivatives, 6-methoxy-2-（4-alkanoyloxybenzylidenamino）benzothiazoles, were synthesized and characterized using FT-IR, ^1H and ^13C NMR, mass spectrometry and elemental analysis. Enantiotropic nematic phase was observed throughout the entire series. Smectic C phase only emerged from the decanoyloxy derivative onwards. The terminal methoxyl group and the ester linkage influenced the mesomorphic behavior of the present series.
基金the National Natural Science Foundation of China(No.20802052)for financial support
文摘The YCl3-catalyzed aerobic oxidative cyclization reaction for the synthesis of benzothiazoles has been developed. This method provides a practical, effective and green synthetic approach to benzothiazoles which are important units in many biologically active compounds.
基金Payame Noor University for its financial support of this study
文摘Benzimidazoles, benzoxazoles, and benzothiazoles derivatives were synthesized from condensation of aldehydes and 1,2-phenylenediamine or ortho-aminophenol or ortho-aminothiophenol in the presence of catalytic amount of Fe（Ⅲ）-Schiff base/SBA-15 in water medium. Short reaction times, good to excellent yields, easy availability, reusability, and use of an eco-friendly catalyst are some of the significant attributes of the present method.
文摘Two novel ashless additives - benzothiazole derivatives containing boron and chlorine, OBC and BBC, were synthesized. The tribological performances of OBC and BBC at different mass ratios as additives in rapeseed oil （RO） were examined on a four-ball machine. The worn surfaces of the lower steel balls lubricated by oil samples were analyzed by means of scanning electron microscopy （SEM）. The test results showed that OBC and BBC had good solubility in the base oil, and could effectively increase the load-carrying capacity of the base oil. The maximum non-seizure load of oil sample containing 1.5 m% BBC was 1117 N, which was 2.3 times as much as that of the base oil. Both OBC and BBC could improve the anti-wear and corrosion inhibiting performance and thermal stability of the base oil, whose initial decomposition temperatures was above 350 ~C. However, OBC and BBC at different concentrations could increase the friction coefficient of the base oil. The SEM morphology of steel balls lubricated by oil samples containing 1.5 m% additives seemed to be more uniform and smoother than that of the base oil, and the scars formed were very shallow.
文摘One-pot condensation of 2-aminothiophenol or 1,2-phenylenediamine with different aldehydes has been catalyzed by hexamethylenetetramine-bromine（HMTA-Bromine） as new,available and effective catalyst.2-Arylbenzo thiazoles and 2-aryl benzimidazoles have been achieved in excellent yield and good purity.
基金supported by the National Natural Science Foundation of China (No. 20972124)the China Postdoctoral Science Foundation (No. 20080441180)the Natural Science Foundation of Shaanxi Province (No. 2007B04)
文摘A new ligand 2-（4,5-dihydro-2-thiazolyl）-6-methoxyl benzothiazole and its new dinuclear Co（II） coordination complex [Co（C11H10N2OS2）Cl2]2·2CHCl3 （1） have been synthesized and characterized. Complex 1 was synthesized by the reaction of Co（II） salt with 2-（4,5-dihydro- 2-thiazolyl）-6-methoxyl benzothiazole under room-temperature evaporation condition and struc- turally characterized by single-crystal X-ray diffraction analysis and IR spectroscopy. The supramolecular network of complex 1 is stabilized by the presence of intermolecular interaction, such as C-H···Cl hydrogen bonding and π-π stacking. The complex crystallizes in triclinic, space group P1 with a = 8.3288（12）, b = 10.5273（15）, c = 10.822（2）, α = 93.416（3）, β = 90.864（3）, γ = 94.890（3）o, V = 943.60（2）3, Z = 2, Dc = 1.758 g/cm3, F（000） = 498 and μ = 1.840 mm-1. The final complex [Co（C11H10N2OS2）Cl2]2·2CHCl3 is a diplex bridged dinuclear complex consisting of two Co（II） ions, two ligands, two bridging Cl- anions and two terminal Cl- anions.
基金Supported by the International Scientific and Technical Cooperation Program of the Ministry of Science and Technology of China (2009DFA42850)
文摘A novel ternary complex of Cu（pcpa）2（aben）2 （pcpa=p-chlorophenoxyacetic acid anion,aben=2-amino benzothiazole） was synthesized by the reaction of copper acetate,2-amino benzothiazole and p-chlorophenoxyacetic acid.Elemental analysis,IR,UV and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure.The crystal crystalli-zes in the monoclinic system,space group C2/c with a=25.795（4）,b=7.384（3）,c =17.741（6）,β=107.47（2）°,C30H24Cl2CuN4O6S2,Mr=735.09,V=3223.2（18） 3,Z=4,Dc=1.515 Mg/m3,λ（MoKα）=0.71073 ,μ=1.022 mm-1,F（000）=1500,the final R=0.0464 and wR=0.1244.A total of 3218 unique reflections were collected,of which 2228 with I 〉 2σ（I） were observed.The Cu（II） atom is four-coordinated with two carboxylate oxygen atoms of the two pcpa ligands and two nitrogen atoms in thiazole rings of two aben ligands.The analysis of crystal structure shows intermolecular and intramolecular hydrogen bonds between amino-nitrogen atoms of the two aben ligands and carboxylate oxygen atoms of the two pcpa ligands.The antimicrobial properties of the title complex and its two free ligands were tested against representative bacterial and fungal strains.Results show that the antibacterial activity of the complex is less than or equal to that of 2-amino benzothiazole,but for yeasts and moulds,it exhibits excellent inhibitory effect better than that of its two free ligands.
基金financially supported by the National Natural Science Foundation of China(21603069)College Students’ Science and Technology Innovation Project of Hubei Polytechnic University(No.14cx16)Young College Teachers’ Entering into Enterprises Program of Hubei Provincial Department of Education(No.XD2014677)
文摘A benzothiazole-based compound 1, C28H24N4O2S, has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 9.6309（14）, b = 15.230（2）, c = 17.197（3）A, β = 105.222（2）°, V = 2433.9（6） A^3, Z = 4, F（000） = 1008, Dc = 1.311 Mg/m^3, Mr = 480.57, μ = 0.166 mm^-1, the final R = 0.0509 and wR = 0.1481 for 6643 observed reflections with I 〉 2σ（I）. The crystal structure of compound 1 is stabilized by C–H…O, N–H…N, N–H…O, O–H…N and C–H…N hydrogen bonds. The spectroscopic studies of the title compound toward various metal ions were also investigated in 25%（V/V） ethanol aqueous solution, and the result showed that it can selectively recognize Cu^2＋ with fluorescence quenching.
基金Universiti Tunku Abdul Rahman for the fnancial supports and research facilities
文摘In this paper, the synthesis of new mesomorphic benzothiazolyl derivatives, 6-ethoxy-2-[4-（4- alkyloxybenzoyloxy）benzylidenamino]benzothiazoles, is presented. The structures of the title compounds were elucidated using spectroscopic techniques, such as FT-IR, NMR （1H and 13C）, elemental analysis and El-MS. The mesomorphic behaviours of these compounds were determined by differential scanning calorimetric and polarizing optical microscopic techniques. Compounds exhibited nematic and tilted smectic phases upon heating from crystal phase. An obvious odd-even effect was observed in this homologous series.
文摘A new series of benzothiazole Schiff bases 3–29 was synthesized and screened for antitumor activity against cervical cancer（Hela） and kidney fibroblast cancer（COS-7） cell lines. Results indicated that compounds 3, 14, 19, 27 and 28 have promising activity against Hela cell line with IC50 values of 2.41,3.06, 6.46, 2.22 and 6.25 mmol/L, respectively, in comparison to doxorubicin as a reference antitumor agent（IC50 2.05 mmol/L）. In addition, compound 3 displayed excellent activity against COS-7 cell line with IC50 value of 4.31 mmol/L in comparison to doxorubicin（IC50 3.04 mmol/L）. In the present work,structure based pharmacophore mapping, molecular docking, protein-ligand interaction, fingerprints and binding energy calculations were employed in a virtual screening strategy to identify the interaction between the compounds and the active site of the putative target, EGFR tyrosine kinase. Molecular properties, toxicity, drug-likeness, and drug score profiles of compounds 3, 14, 19, 27, 28 and 29 were also assessed.
