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STUDY ON THE MECHANISM OF FLUORESCENCE QUENCHING OF NITROCOMPOUNDS FOR OXAZOLES *
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作者 齐欣 杨学茹 +3 位作者 刘东志 游得华 王淑丽 张文勤 《Transactions of Tianjin University》 EI CAS 1998年第1期54-57,共4页
The mechanism of nitrocompounds quenching of the fluorescence of 5, 5′ dipheny1 2, 2′ bisoxazole (POOP) and trans 1, 2 bis [2 (5 phenyloxazolyl)] ethene (POEOP) has been studied. It was found that the fluores... The mechanism of nitrocompounds quenching of the fluorescence of 5, 5′ dipheny1 2, 2′ bisoxazole (POOP) and trans 1, 2 bis [2 (5 phenyloxazolyl)] ethene (POEOP) has been studied. It was found that the fluorescence of oxazoles was quenched mainly by the absorption competition and radiationless energy transfer of nitrocompounds. The fluorescence quenching rate constants of nitrobenzene and nitromethane are 3.0×10 10 L·mol -1 ·s -1 and 1.5×10 8 L·mol -1 ·s -1 respectively for POEOP. This remarkable difference was explicated. 展开更多
关键词 fluorescence quenching nitrocompound OXAZOLES energy transfer absorption competition
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Ultrafast Fluorescence Quenching in LnFe(CN)_6·4H_2O
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作者 孟建新 戴德昌 +1 位作者 李润华 周建英 《中山大学学报论丛》 1997年第5期42-45,共4页
对LnFe(CN)6·4H2O(Ln=Eu,Tb)体系的吸收光谱和荧光光谱的研究表明,两配合物的中Eu3+和Tb3+离子的荧光发生强烈猝灭,即使是用高功率激光直接激发Eu3+的7F0→5D0跃迁也是如此,表明该体... 对LnFe(CN)6·4H2O(Ln=Eu,Tb)体系的吸收光谱和荧光光谱的研究表明,两配合物的中Eu3+和Tb3+离子的荧光发生强烈猝灭,即使是用高功率激光直接激发Eu3+的7F0→5D0跃迁也是如此,表明该体系中稀土离子的荧光寿命非常短,有可能满足室温超快相干控制的要求. 展开更多
关键词 LnFe(CN)6·4H2O 荧光猝灭 相干控制
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Fluorescence quenching method for the determination of catechol with gold nanoparticles and tyrosinase hybrid system 被引量:4
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作者 Martin M.F.Choi 《Chinese Chemical Letters》 SCIE CAS CSCD 2010年第3期346-348,共3页
The determination method of catechol by fluorescence quenching was developed.The assay was based on the combination of the unique property of gold nanoparticles with tyrosinase enzymatic reaction.In the presence of ty... The determination method of catechol by fluorescence quenching was developed.The assay was based on the combination of the unique property of gold nanoparticles with tyrosinase enzymatic reaction.In the presence of tyrosinase,the fluorescence of gold nanoparticles was quenched by catechol which can be employed to detect catechol.Under the optimal conditions,a linear range 5.0×10^(-7)-1.0×10^(-3) mol L^(-1) and a detection limit 1.0×10^(-7) mol L^(-1) of catechol were obtained.o-Quinone intermediate produced... 展开更多
关键词 Gold nanoparticles TYROSINASE CATECHOL fluorescence quenching
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Fluorescence Quenching of a Novel Eu(Ⅲ) Coordination Compound for the Detection of Trace Amounts of Water: Synthesis, Structure and Photoluminescent Property 被引量:2
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作者 王秋华 吴叶文 宋莉 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第8期1341-1347,共7页
A novel luminescent coordination compound Eu(TTA)3(DEDAF)(1, TTA = 1,1,1-trifluoro-3-(2-thenoyl)acetone, DEDAF = 9,9-diethyl-4,5-diazafluoren) has been synthesized and fully characterized by infrared spectrum,... A novel luminescent coordination compound Eu(TTA)3(DEDAF)(1, TTA = 1,1,1-trifluoro-3-(2-thenoyl)acetone, DEDAF = 9,9-diethyl-4,5-diazafluoren) has been synthesized and fully characterized by infrared spectrum, elemental analysis, UV-vis spectrum, etc. X-ray single-crystal diffraction analysis reveals that compound 1 shows a mononuclear structure with the europium atom in coordinating to one DAF and three TTA ligands. The mononuclear structure units are assembled into a 3-D polymer by hydrogen bonds and π-π interactions. Photoluminescent property of 1 was investigated in detail at room temperature. Complex 1 emits strong red luminescence. However, it could be quenched even by small amount of water. The fluorescence intensity at 614 nm decreases linearly with the water content increasing(vol% in acetonitrile) in the range of 0.025~0.2% under 278 nm excitation. Thermogravimetric analysis has also been studied, which demonstrates good thermal stability of 1. 展开更多
关键词 europium coordination compound 9 9-diethyl-4 5-diazafluoren photoluminescent property fluorescence quenching water detection
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Fluorescence Quenching of Anthracene by N,N-Diethylaniline and Phenothiazine in Triton X-100/n-C_(10)H_(21) OH/H_2O Microemulsion 被引量:1
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作者 GUO Xia XU Hui GUO Rong 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2003年第4期484-488,共5页
The photo-induced electron transfer reactions of anthracene with N,N -diethylaniline(DEA) and phenothiazine(PTZ) occur in the membrane phase of a Triton X-100/ n -C 10 H 21 OH(1-decanol)/H 2O microemulsion. DEA and PT... The photo-induced electron transfer reactions of anthracene with N,N -diethylaniline(DEA) and phenothiazine(PTZ) occur in the membrane phase of a Triton X-100/ n -C 10 H 21 OH(1-decanol)/H 2O microemulsion. DEA and PTZ exist in the membrane phase of the microemulsion. Anthracene exists in the oil continuous phase of the W/O microemulsion and in the oil core and membrane phase of the O/W microemulsion. 展开更多
关键词 Electron transfer process fluorescence quenching Anthracene Phenothiazine N N -dieth\|ylaniline MICROEMULSION
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FLUORESCENCE AND ITS ENHANCEMENT OR QUENCHING OF Eu(TTA)_3 Phen LB FILMS 被引量:1
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作者 Ren Jie ZHANG Hong Guo LIU +2 位作者 Cheng Ru ZHANG Kong Zhang YANG (Institute of Colloid and Interface Chemistry, Shandong University, Jinan, 250100)Zhi Kun SI Gui Yun ZHU (Department of Chemistry, Shandong University, Jinan, 250100) 《Chinese Chemical Letters》 SCIE CAS CSCD 1995年第7期627-630,共4页
For the first time, LB films containing Eu(TTA)3Phen are obtained by using composite subphase. Eu(TTA)3Phen itself is dimcult to be transferred onto solid substrate.mixed or alternate LB films are prepared. Hydrogen b... For the first time, LB films containing Eu(TTA)3Phen are obtained by using composite subphase. Eu(TTA)3Phen itself is dimcult to be transferred onto solid substrate.mixed or alternate LB films are prepared. Hydrogen bonds form between Eu(TTA)3Phen and AA or TPP(-COOH). TOPO and SB have a fluorcscence enhanGement effect on Eu(TTA)3Phen. TPP(-COOH) and Fc have a fluorescence quenching effect on it. 展开更多
关键词 TTA fluorescence AND ITS ENHANCEMENT OR quenching OF Eu Phen LB FILMS LB ITS
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STUDY ON THE SOLUTION FLUORESCENCE QUENCHING FOR POLYSILANES
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作者 Hu Huiping Huang Kelong Pan Chunyue(Department of Chemistry, Central South University of Technology, Changsha 410083, China)Chen Deben(Department of Chemistry, Sichuan University,Chengdu 610064, China) 《Journal of Central South University》 SCIE EI CAS 1998年第1期42-46,共5页
he solutionfluorescence quenching mechanisms of poly(methylcyclohexylsilane),poly(methylphenethylsilane), poly(methylcyclohexylsilanecomethylphenethylsilane) and poly(methylphenylsilane) are studied by means of steady... he solutionfluorescence quenching mechanisms of poly(methylcyclohexylsilane),poly(methylphenethylsilane), poly(methylcyclohexylsilanecomethylphenethylsilane) and poly(methylphenylsilane) are studied by means of steadystate fluorescence,timeresolved fluorescence and UV absorption. The results show that the fluorescence quenching for polysilanes by carbon tetrachloride is the static quenching with energy migration, which is also supported by the qualitative results of the fluorescence quenching behaviors of polysilane by nitromethane (CH3NO2) and 2, 4, 7trinitrofluorenone(TNF). 展开更多
关键词 POLYSILANE STATIC quenching energy MIGRATION steadystate fluorescence
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Interaction between Humic Acid and p-Arsanilic Acid Using Fluorescence Quenching Approach 被引量:1
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作者 Ge Siyi Zhou Hong +3 位作者 Song Jia Yu Jia Wei Wei Li Shiyin 《生态毒理学报》 CAS CSCD 北大核心 2017年第3期667-674,共8页
P-arsanilic acid(p-ASA),as a kind of organoarsenic feed additive,has been widely used in poultry and swine breeding.However,it has caused the arsenic pollution around the farm.Currently data shows humic acid(HA)is clo... P-arsanilic acid(p-ASA),as a kind of organoarsenic feed additive,has been widely used in poultry and swine breeding.However,it has caused the arsenic pollution around the farm.Currently data shows humic acid(HA)is closely to the migration and transformation of p-ASA.Therefore,the interaction between p-ASA and HA was investigated by using the method of fluorescence quenching titration.The association constant changed from2.74 to 4.88 L·mol-1at a p H varying from 5 to 9 and reached the maximum at p H 7.In addition,log K varied from4.15 to 5.02 L·mol-1when the temperature increased from 15℃to 35℃.The log K increased with an increase in the concentration of HA.The dominant mechanism between p-ASA and HA is static quenching.The primary interaction force was likely the hydrogen bond,and the binding behavior occurred on the As-O stretch of p-ASA and the carboxylic acid C=O stretch of HA.The results showed that dissolved organic matters could affect the fate and biogeochemical cycling of organoarsenic pharmaceuticals in aquatic ecosystems. 展开更多
关键词 饲料添加剂 化学分析 砷污染 环境保护
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Spectroscopic Characterization of Eu-Enoxacin-Phen Complexes and Determination of ATP by Fluorescence Quenching
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作者 刘永明 李桂芝 《Journal of Rare Earths》 SCIE EI CAS CSCD 2005年第S1期40-43,共4页
The complex of Eu 3+ and Enoxacin(ENX) and Phen was synthesized. Its compositions is Eu(ENX)_3(phen)Cl_3·2H_2O. Its fluorescence spectra were studied. The results show that the strong fluorescence emitting of 592... The complex of Eu 3+ and Enoxacin(ENX) and Phen was synthesized. Its compositions is Eu(ENX)_3(phen)Cl_3·2H_2O. Its fluorescence spectra were studied. The results show that the strong fluorescence emitting of 592 and 616 nm for Eu 3+ in the Eu(ENX)_3(phen)Cl_3·2H_2O complex is related to the transitions 5D_0-7F_1 and 5D_0-7F_2 respectively. A sensitive method for the determination of adenosine triphosphate(ATP) by fluorescence quenching is proposed. The method is based on the ability of ATP to inhibit the formation of a strong fluorescent complex of Eu(ENX)_3(phen)Cl_3·2H_2O. In conditions of pH 6.7 in HAc-NaAc buffer and λ_ ex=340 nm and λ_ em=616 nm, the linear range of the determination is 0.4~ 10 μg·ml -1 and the detection limit is 0.034 μg·ml -1 for ATP. The method was applied to determine ATP in adenosine disodium triphosphate injection samples with relative standard deviation of 212% and recovery of 94.8%~1037%. 展开更多
关键词 Eu 3+-complex Enoxacin PHEN fluorescence quenching ATP rare earths
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Synthesis and Fluorescence of Eu-Ibuprofenum-Phen Complex and Determination of ATP by Fluorescence Quenching of Complex
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作者 李桂芝 刘永明 《Journal of Rare Earths》 SCIE EI CAS CSCD 2004年第S1期29-32,共4页
The complex Eu(IB)_3(phen)·2H_2O was synthesized. The results show that the strong fluorescence emitting of 593 and 615 nm for Eu^(3+) in the Eu(IB)_3(phen) complex is related to the transitions (()~5D_0-()~7F_1)... The complex Eu(IB)_3(phen)·2H_2O was synthesized. The results show that the strong fluorescence emitting of 593 and 615 nm for Eu^(3+) in the Eu(IB)_3(phen) complex is related to the transitions (()~5D_0-()~7F_1) and (()~5D_0-()~7F_2,) respectively. A sensitive method for the determination of adenosine disodium triphosphate (ATP) by fluorescence quenching is proposed. The method is based on the ability of ATP to inhibit the formation of a strong fluorescent complex of Eu(IB)_3(phen). In conditions of pH 6.7 HAc-NaAc buffer, λ_(ex)=273 nm and λ_(em)=615 nm, the linear range of the determination was 0.1~10 μg·ml^(-1) and the detection limit was 0.03 μg·ml^(-1) for ATP. The method has been applied to determine ATP in adenosine disodium triphosphate tablets samples with relative standard deviation of 2.18% and recovery of (98.4%~)104.0%. 展开更多
关键词 Eu^(3+)-complex ibuprofenum PHEN fluorescence quenching ATP
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Aggregation-dependence of Optical Properties and Fluorescence Quenching of a Water-soluble Poly(phenylene ethynylene)
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作者 Ming Hui YU Hai Yang GAN +4 位作者 Fang HE Yan Li TANG Da Gui ZHENG Shu WANG Yu Liang LI 《Chinese Chemical Letters》 SCIE CAS CSCD 2006年第5期671-674,共4页
The solvent and surfactant-dependent aggregation behaviors of the anionic poly(phenylene ethynylene) were studied and used to tune optical properties and fluorescence quenching efficiency.
关键词 Conjugated polymers AGGREGATION optical properties fluorescence quenching.
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Amplified Detection of Iron Ion Based on Plasmon Enhanced Fluorescence and Subsequently Fluorescence Quenching
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作者 Lin Zhou Han Zhang +2 位作者 Yanping Luan Si Cheng Li-Juan Fan 《Nano-Micro Letters》 SCIE EI CAS 2014年第4期327-334,共8页
A facile and rapid approach for detecting low concentration of iron ion(Fe3+) with improved sensitivity was developed on the basis of plasmon enhanced fluorescence and subsequently amplified fluorescence quenching.Au1... A facile and rapid approach for detecting low concentration of iron ion(Fe3+) with improved sensitivity was developed on the basis of plasmon enhanced fluorescence and subsequently amplified fluorescence quenching.Au1Ag4@Si O2 nanoparticles were synthesized and dispersed into fluorescein isothiocyanate(FITC) solution. The fluorescence of the FITC solution was improved due to plasmon enhanced fluorescence. However, efficient fluorescence quenching of the FITC/Au1Ag4@Si O2 solution was subsequently achieved when Fe3+, with a concentration ranging from17 n M to 3.4 l M, was added into the FITC/Au1Ag4@Si O2 solution, whereas almost no fluorescence quenching was observed for pure FITC solution under the same condition. FITC/Au1Ag4@Si O2 solution shows a better sensitivity for detecting low concentration of Fe3+compared to pure FITC solution. The quantized limit of detection toward Fe3+was improved from 4.6 l M for pure FITC solution to 20 n M for FITC/Au1Ag4@Si O2 solution. 展开更多
关键词 Gold–silver alloy Plasmon enhanced fluorescence fluorescence quenching Iron ion
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Mechanisms of Fluorescence Quenching of Pr^(3+)-Doped PbWO_4 Crystal
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作者 熊飞兵 罗遵度 黄艺东 《Journal of Rare Earths》 SCIE EI CAS CSCD 2005年第5期641-644,共4页
Fluorescence decay curves of the ^3P0 and ^1D2 manifolds in Pr^3+ doped PbWO4 crystal were measured at room temperature and fluorescence lifetimes of both manifolds were estimated. Combining with the radiative lifeti... Fluorescence decay curves of the ^3P0 and ^1D2 manifolds in Pr^3+ doped PbWO4 crystal were measured at room temperature and fluorescence lifetimes of both manifolds were estimated. Combining with the radiative lifetimes of the manifolds calculated on the basis of the modified J-O theory, the main mechanisms for the fluorescence quenching of the manifolds were analyzed. The multi-phonon relaxation and the cross-relaxation energy transfer are the major reasons for the fluorescence quenching of the ^3P0 and ^1D2 manifolds, respectively. The Inokuti-Hirayama model was used to analyze the fluorescence decay curve of the ^1D2 manifold and the cross-relaxation of dlpole-dipole interaction was confirmed. Consequently, the ^3p0 manifold is more favorable as an upper laser level than the ^1D2 manifold. 展开更多
关键词 fluorescence quenching Pr^3 PbWO4 crystal MECHANISM rare earths
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Study on State of Terbium Ion in Liposome by One order Derivative Fluorescence Quenching Method
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作者 Mu Xiao-jing Fang Guo-chun Yao Song-nian 《Wuhan University Journal of Natural Sciences》 EI CAS 1999年第4期469-472,共4页
The state of Tb3+ is investigated in liposome. When the concentration of PC is below CMC (critical micell concentration), most of Tb3+ is associated with PC, the binding constant is about 3.35×103 L/mol. When the... The state of Tb3+ is investigated in liposome. When the concentration of PC is below CMC (critical micell concentration), most of Tb3+ is associated with PC, the binding constant is about 3.35×103 L/mol. When the concentration of PC is beyond CMC, most of Tb3+ is dimerized, the dimerization constant is about 3.92×104L/mol. In PC?CH?H2O system, the binding constant of Tb3+?CH complex 2.93×104L/mol is obtained. 展开更多
关键词 one-order derivative fluorescence quenching method LIPOSOME PC-Tb binding constant
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Synthesis and Fluorescence Quenching of Copolymer Containing3, 4, 9, 10-Perylenetetracarboxyl Diimide Side Chains
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作者 Zhao ZHANG Zhao Bin CHEN +5 位作者 Feng Lian BAI Yue Ping ZHANG Yi Ming MO Min ZHENG Xiao Lin YAN Yu hang LI(Department of Chemistry, Shanxi University, Taiyuan 030006)(Lab of Organic Solid, Institute of Chemistry, Academy Sinica, Beijing 100080) 《Chinese Chemical Letters》 SCIE CAS CSCD 1999年第11期953-956,共4页
A photoluminescence material, copolymer of N-vinylcarbazole (VCz) and N,N'- bisallyl-3, 4. 9, 10-ferylenetetracarboxyl diimide (APTC) chromophores P(VCz-APTC) was synthesized. The fluorescence quenching of P(VCz-A... A photoluminescence material, copolymer of N-vinylcarbazole (VCz) and N,N'- bisallyl-3, 4. 9, 10-ferylenetetracarboxyl diimide (APTC) chromophores P(VCz-APTC) was synthesized. The fluorescence quenching of P(VCz-APTC) by fullerene (C-60) and triethylamine was also studied. 展开更多
关键词 3 4 9 10-perylenetetracarboxyl diimide COPOLYMER fluorescence quenching
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Laser-Induced Recoverable Fluorescence Quenching of Perovskite Films at a Microscopic Grain Scale
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作者 Yuren Xiang Yameng Cao +15 位作者 Wenqiang Yang Rui Hu Sebastian Wood Bowei Li Qin Hu Fan Zhang Jujie He Mozhgan Yavari Jinlai Zhao Yunlong Zhao Jun Song Junle Qu Rui Zhu Thomas P.Russell S.Ravi P.Silva Wei Zhang 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2022年第4期1189-1199,共11页
Understanding the fundamental properties of metal-halide perovskite materials is driving the development of novel optoelectronic applications.Here,we report the observation of a recoverable laser-induced fluorescence ... Understanding the fundamental properties of metal-halide perovskite materials is driving the development of novel optoelectronic applications.Here,we report the observation of a recoverable laser-induced fluorescence quenching phenomenon in perovskite films with a microscopic grain-scale restriction,accompanied by spectral variations.This fluorescence quenching depends on the laser intensity and the dwell time under Auger recombination dominated conditions.These features indicate that the perovskite lattice deformation may take the main responsibility for the transient and show a new aspect to understand halide perovskite photostability.We further modulate this phenomenon by adjusting the charge carrier recombination and extraction,revealing that efficient carrier transfer can improve the bleaching resistance of perovskite grains.Our results provide future opportunities to attain high-performance devices by tuning the perovskite lattice disorder and harvesting the energetic carriers. 展开更多
关键词 fluorescence quenching PEROVSKITE PHOTOPHYSICS stability
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On the Question of Defining the Association Constants by the Method of Fluorescence Quenching
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作者 Nikolay L. Lavrik Nikolay M. Bazhin 《American Journal of Analytical Chemistry》 2014年第16期1065-1068,共4页
A study is made on the previously ignored problem of the dependence of a static fluorescence quenching Stern-Volmer constant?Ksv on the initial concentration of [F]0 fluorophore F. This correlation is shown to exist. ... A study is made on the previously ignored problem of the dependence of a static fluorescence quenching Stern-Volmer constant?Ksv on the initial concentration of [F]0 fluorophore F. This correlation is shown to exist. It is concluded that the Stern-Volmer quenching constant may be used as association constant K only with . 展开更多
关键词 fluorescence quenching Association CONSTANTS Stern-Volmer CONSTANT
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The Analysis of the Quenching Efficiency of Humic Acid Fluorescence by Cadmium and Copper Ions
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作者 Nikolay L. Lavrik Nurullo U. Mulloev 《American Journal of Analytical Chemistry》 2014年第17期1167-1173,共7页
In conditions of monochromatic excitation (λexc=337.1), the spectral dependence of the efficiency of fluorescence quenching αλ of humic acids samples by Cd2+ and Cu2+ ions was studied. The difference of αλ depend... In conditions of monochromatic excitation (λexc=337.1), the spectral dependence of the efficiency of fluorescence quenching αλ of humic acids samples by Cd2+ and Cu2+ ions was studied. The difference of αλ dependencies for these ions was established. In the spectral range 350 - 650 nm, changes of the αλ for Cd2+ ion are markedly different from the magnitude for changes αλ, which occur for ion Cu2+. The interpretation of mismatch dependences obtained αλ ions Cd2+ and Cu2+ is carried out within the concept of the availability of different sites, due to the difference in ionic radii (0.108 nm and 0.08 nm for Cd2+ and Cu2+, respectively). 展开更多
关键词 Structure of HUMIC Acids Spectral Dependence of fluorescence quenching Cd2+ and Cu2+ IONS
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Determination of Bisoprolol Fumarate by Fluorescence Quenching Method
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作者 Yu LIN Xiaomei LAN 《Medicinal Plant》 CAS 2020年第2期30-32,37,共4页
[Objectives]To establish a new method for indirect determination of bisoprolol fumarate based on fluorescence quenching technology.[Methods]In ammonia water and ammonium chloride buffer solution at pH=9.2,whenλexcita... [Objectives]To establish a new method for indirect determination of bisoprolol fumarate based on fluorescence quenching technology.[Methods]In ammonia water and ammonium chloride buffer solution at pH=9.2,whenλexcitation=277 nm andλemission=596 nm,with the increase of CCu2+,the fluorescence signal intensity of bisoprolol fumarate weakened,and the difference between the fluorescence intensity of bisoprolol fumarate itself and the fluorescence intensity of the test solution after the quencher Cu2+was added(ΔF)and Cbisoprolol fumarate showed a good linear relationship.[Results]In the range of 15.39-76.93μg/mL,ΔF=146.7 Cbisoprolol fumarate+482.1,r=0.9988,and the detection limit is 0.1391μg/mL.[Conclusions]The fluorescence quenching method has been applied to the determination of actual samples with a recovery rate of 99.9%and an RSD of 2.7%.The results are satisfactory. 展开更多
关键词 BISOPROLOL FUMARATE COMPLEXING fluorescence quenching method Content DETERMINATION
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Perspective for aggregation-induced delayed fluorescence mechanism:A QM/MM study
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作者 Jie Liu Jianzhong Fan +3 位作者 Kai Zhang Yuchen Zhang Chuan-Kui Wang Lili Lin 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第8期531-537,共7页
To enhance the potential application of thermally activated delayed fluorescence(TADF)molecular materials,new functions are gradually cooperated to the TADF molecules.Aggregation induced emission can effectively solve... To enhance the potential application of thermally activated delayed fluorescence(TADF)molecular materials,new functions are gradually cooperated to the TADF molecules.Aggregation induced emission can effectively solve the fluorescence quenching problem for TADF molecules in solid phase,thus aggregation-induced delayed fluorescence(AIDF)molecules were recently focused.Nevertheless,their luminescent mechanisms are not clear enough.In this work,excited state properties of an AIDF molecule DMF-BP-DMAC[reported in Chemistry-An Asian Journal 14828(2019)]are theoretically studied in tetrahydrofuran(THF)and solid phase.For consideration of surrounding environment,the polarizable continuum method(PCM)and the combined quantum mechanics and molecular mechanics(QM/MM)method were applied for solvent and solid phase,respectively.Due to the increase of the transition dipole moment and decrease of the energy difference between the first single excited state(S1)and the ground state(S0),the radiative rate is increased by about 2 orders of magnitude in solid phase.The energy dissipation of the non-radiative process from S1 to S0 is mainly contributed by low-frequency vibrational modes in solvent,and they can be effectively suppressed in aggregation,which may lead to a slow non-radiation process in solid phase.Both factors would induce enhanced luminescence efficiency of DMF-BP-DMAC in solid phase.Meanwhile,the small energy gap between S1 and triplet excited states results in high reverse intersystem crossing(RISC)rates in both solvent and solid phase.Therefore,TADF is confirmed in both phases.Aggregation significantly influences both the ISC and RISC processes and more RISC channels are involved in solid state.The enhanced delayed fluorescence should be induced by both the enhanced fluorescent efficiency and ISC efficiency.Our calculation provides a reasonable explanation for experimental measurements and helps one to better understand the luminescence mechanism of AIDF molecules. 展开更多
关键词 thermally activated delayed fluorescence aggregation-induced delayed fluorescence the combined quantum mechanics and molecular mechanics method
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