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Study on superoxide and hydroxyl radicals generated in indirect electrochemical oxidation by chemiluminescence and UV-Visible spectra 被引量:3
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作者 ZHANG, Bo-Tao ZHAO, Li-Xia LIN, Jin-Ming 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2008年第8期1006-1011,共6页
The generation and transformation of radicals on the cathode of indirect electrochemical oxidation were studied by chemilumines- cence(CL)and UV-Visible spectra in the reactor with a salt bridge that connected the sep... The generation and transformation of radicals on the cathode of indirect electrochemical oxidation were studied by chemilumines- cence(CL)and UV-Visible spectra in the reactor with a salt bridge that connected the separated chambers.The CL intensity of 4×10^(-9)mol/L luminol on the cathode with bubbling oxygen was about seven times that of the intensity without it,which was because of the generation of reactive oxygen species(ROS).The existence of ROS,especially the generation of the superoxide radical,coul... 展开更多
关键词 chemiluminescence(CL) uv-visible RADICAL indirect electrochemical oxidation
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Characterization on the Exfoliation Degree of Graphite Oxide into Graphene Oxide by UV-visible Spectroscopy 被引量:3
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作者 艾凡荣 ZHONG Yu +1 位作者 HU Xiaowu YAN Xiluan 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2016年第3期515-518,共4页
The exfoliation degree of graphite oxide into graphene oxide plays an important role in the massive production method of reduced graphene oxide. It is significant to find a simple and feasible method to analyze the ex... The exfoliation degree of graphite oxide into graphene oxide plays an important role in the massive production method of reduced graphene oxide. It is significant to find a simple and feasible method to analyze the exfoliation degree of graphite oxide. In the present work, graphite oxide was synthesized by a modified Hummers method, and then graphene oxide colloids were obtained by exfoliation of graphite oxide dispersed in de-ionized water. UV-visible spectroscopy was used to characterize the absorption of the graphene oxide colloids, and the concentration of graphene oxide colloids indicated by absorption area of UV-visible spectra was studied. Results show that there is a relatively stable relationship between them, indicating that UV- visible spectroscopy is a potential method for analyzing the exfoliation degree of graphite oxide into graphene oxide. 展开更多
关键词 GRAPHENE graphene oxide graphene oxide colloids uv-visible spectroscopy
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Fast-speed self-powered PEDOT:PSS/α-Ga_(2)O_(3)nanorod array/FTO photodetector with solar-blind UV/visible dual-band photodetection 被引量:1
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作者 Ming-Ming Fan Kang-Li Xu +1 位作者 Ling Cao Xiu-Yan Li 《Chinese Physics B》 SCIE EI CAS CSCD 2022年第4期721-726,共6页
Theα-Ga2 O_(3)nanorod array is grown on FTO by hydrothermal and annealing processes.And a self-powered PEDOT:PSS/α-Ga_(2)O_(3)nanorod array/FTO(PGF)photodetector has been demonstrated by spin coating PEDOT:PSS on th... Theα-Ga2 O_(3)nanorod array is grown on FTO by hydrothermal and annealing processes.And a self-powered PEDOT:PSS/α-Ga_(2)O_(3)nanorod array/FTO(PGF)photodetector has been demonstrated by spin coating PEDOT:PSS on theα-Ga_(2)O_(3)nanorod array.Successfully,the PGF photodetector shows solar-blind UV/visible dual-band photodetection.Our device possesses comparable solar-blind UV responsivity(0.18 mA/W at 235 nm)and much faster response speed(0.102 s)than most of the reported self-poweredα-Ga_(2)O_(3)nanorod array solar-blind UV photodetectors.And it presents the featured and distinguished visible band photoresponse with a response speed of 0.136 s at 540 nm.The response time is also much faster than the other non-self-poweredβ-Ga_(2)O_(3)DUV/visible dual-band photodetectors due to the fast-speed separation of photogenerated carries by the built-in electric field in the depletion regions of PEDOT:PSS/α-Ga_(2)O_(3)heterojunction.The results herein may prove a promising way to realize fast-speed self-poweredα-Ga_(2)O_(3)photodetectors with solar-blind UV/visible dual-band photodetection by simple processes for the applications of multiple-target tracking,imaging,machine vision and communication. 展开更多
关键词 fast speed self powered solar-blind uv/visible photodetection PEDOT:PSS/α-Ga_(2)O_(3)/FTO
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Measurement of the Plasma Rotation Velocity by Using Visible Spectrum on HL-1M Mokamak 被引量:1
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作者 罗俊林 李伟 +3 位作者 王恩耀 董贾福 唐年益 刘泽田 《Plasma Science and Technology》 SCIE EI CAS CSCD 2001年第2期683-690,共8页
The plasma rotation velocity were measured in HL-1M with Doppler shifts of CⅢ、 C Ⅱ、 O Ⅱ and H. line by a SKD high resolution spectrometer. The effects .of density' hydrogen pellet injection and carbon impuri... The plasma rotation velocity were measured in HL-1M with Doppler shifts of CⅢ、 C Ⅱ、 O Ⅱ and H. line by a SKD high resolution spectrometer. The effects .of density' hydrogen pellet injection and carbon impurities injected by laser-blow-off on toroidal(V) and poloidal (Vθ)rotation velocity have been observed. The Vθ measured from H. line is only half of that from C Ⅱ impurity line. 展开更多
关键词 Measurement of the Plasma Rotation Velocity by Using visible spectrum on HL-1M Mokamak HL
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Application of Total Error Strategy in Validation of Affordable and Accessible UV-Visible Spectrophotometric Methods for Quality Control of Poor Medicines 被引量:1
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作者 Jérémie Kindenge Mbinze Jean Nsangu Mpasi +8 位作者 Elza Maghe Sébastien Kobo Rodrigue Mwanda Guy Mulumba Jacquie Bolavie Bolande Trésor Menanzambi Bayebila Maguy Borive Amani Philippe Hubert Roland Djang’eing’a Marini 《American Journal of Analytical Chemistry》 2015年第2期106-117,共12页
In the framework of fighting against the poor quality medicines sold in developing countries using classical analytical methods easily accessible in those countries, four UV-Visible spectrophotometric methods for one ... In the framework of fighting against the poor quality medicines sold in developing countries using classical analytical methods easily accessible in those countries, four UV-Visible spectrophotometric methods for one antimalarial (quinine) and two antibiotics (amoxicillin and metronidazole) have been developed and validated according to the total error strategy using the accuracy profiles as a decision tool. The dosing range was 2 - 10 μg/mL (for quinine sulfate in tablet), 4 - 12 μg/mL (for quinine bichlorhydrate in oral drop-metronidazole benzaote in oral suspension) and 15 - 35 μg/mL (for amoxicillin trihydrate in capsule). The validated methods were then applied in determining the content of some analogous medicines sold in the Democratic Republic of Congo. Thus, the proposed UV-Visible spectrophotometric methods are simple and suitable to quantify quinine, amoxicillin and metronidazole in different pharmaceutical forms. 展开更多
关键词 POOR Quality MEDICINES uv-visible Spectrophotometric Methods QUININE Amoxicillin METRONIDAZOLE VALIDATION Total Error Accuracy Profiles
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IN-SITU FTIR AND UV-VISIBLE-NEAR-IR SPECTROELECTROOHEMICAL STUDIES OF MIXED-VALENCE ISOPOLYANION Mo_6O_(19) ̄(3-) IN APROTIC MEDIA
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作者 Hao Ran SUN Gou Yu YANG +1 位作者 Jia Ning XU Ji Qing XU (Department of Chemistry,Chemistry, Jilin University, Changchan, 130023) 《Chinese Chemical Letters》 SCIE CAS CSCD 1995年第12期1059-1060,共2页
In the paper, we have studied the mixed-valence isopolyanion by cyclic voltammogram, in-situ UV-Visible-Near-IR and FTIR spectroelectrochemical methods in aprotic medium,such as methylene chloride.A number of hetero-... In the paper, we have studied the mixed-valence isopolyanion by cyclic voltammogram, in-situ UV-Visible-Near-IR and FTIR spectroelectrochemical methods in aprotic medium,such as methylene chloride.A number of hetero-- and iso--polyanions of molybdenum are re(luci})leto a series of mixed-valeDce compounds containing Mow and Mo t'. f 1 1These species exhibit intervalence transfer bands. This description ofthe electronic structure corresponds to cia88 H syetems in Robinand Day'8 classification of mixed--valence compounds t21. The electrochemical methods can prepare the mixed--valence compounds in which laceetructure of the parent oxidized form is generally retained. [31 In--situepectroelectrochemical studies have many advantages for product identification and for mechanistic studies of transition metal complexes in solution. t.1 Among theme are small electrolysis volumee that yield shortelectrolysis times, rapid time response for the measurement or kineticparameters, and the rapid in--situ generation of reactive species withBtable properties that preclude isolation [51.The cyclic voltammogram indicates that the (TBA).Mo.O.. undergoestwo reductione, which are labeled ac reactions 1--2 and corre6pond tothe electron transfers given in eq. 1-- 2.Mo.O.g-- + e * Mo.O.g--' E./2=--0.690V -----------------------------(1)Mo.O.S-- + e - Mo.O.:-- ac- other products E.,.=--1.650V------(2) 展开更多
关键词 FTIR SITU visible APROTIC AND MO uv
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High efficient Al: ZnO based bifocus metalens in visible spectrum
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作者 Pengdi Wang Xianghua Zeng 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第10期300-307,共8页
The optical components of the visible light band are widely used in daily life and industrial development. However due to the serious loss of light and the high cost, the application is limited. The broadband gap meta... The optical components of the visible light band are widely used in daily life and industrial development. However due to the serious loss of light and the high cost, the application is limited. The broadband gap metasurface will change this situation due to its low absorption and high efficiency. Herein, we simulate a size-adjustable metasurface of the Al doped ZnO (AZO) nanorod arrays based on finite difference time domain method (FDTD) which can realize the conversion of amplitude polarization and phase in the full visible band. The corresponding theoretical polarization conversion efficiency can reach as high as 91.48% (450 nm), 95.27% (530 nm), and 91.01% (65 nm). The modulation of focusing wavelength can be realized by directly adjusting the height of the AZO nanorod. The designed half-wave plate and metalens can be applied in the imaging power modulation halfwave conversion and enriching the spectroscopy. 展开更多
关键词 visible spectrum Al doped ZnO half-wave plate metalens
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UV–visible spectral characterization and density functional theory simulation analysis on laser-induced crystallization of amorphous silicon thin films
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作者 黄璐 金晶 +6 位作者 史伟民 袁志军 杨伟光 曹泽淳 王林军 周军 楼祺洪 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第3期293-297,共5页
The effect of laser energy density on the crystallization of hydrogenated intrinsic amorphous silicon (a-Si:H) thin films was studied both theoretically and experimentally. The thin films were irritated by a freque... The effect of laser energy density on the crystallization of hydrogenated intrinsic amorphous silicon (a-Si:H) thin films was studied both theoretically and experimentally. The thin films were irritated by a frequency-doubled (λ= 532 nm) Nd:YAG pulsed nanosecond laser. An effective density functional theory model was built to reveal the variation of bandgap energy influenced by thermal stress after laser irradiation. Experimental results establish correlation between the thermal stress and the shift of transverse optical peak in Raman spectroscopy and suggest that the relatively greater shift of the transverse optical (TO) peak can produce higher stress. The highest crystalline fraction (84.5%) is obtained in the optimized laser energy density (1000 mJ/cm2) with a considerable stress release. The absorption edge energy measured by the UV- visible spectra is in fairly good agreement with the bandgap energy in the density functional theory (DFT) simulation. 展开更多
关键词 laser crystallization uv-visible spectra density functional theory simulation
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Interaction between DNA with Complex of Eu^(3+)-Rutin by UV-Visible Spectroscopy and Electrochemistry
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作者 Kang Jingwan Wu Haixia Zhuo Ling Zeng Hongjuan Lu Xiaoquan 《Journal of Rare Earths》 SCIE EI CAS CSCD 2005年第4期I0009-I0009,共1页
The interaction of Eu^3+-rutin with CT DNA was studied by UV-visible spectroscopy and electrochemistry. All experimental results indicate that the complex binds to DNA by the electrostatic mode and the groove binding... The interaction of Eu^3+-rutin with CT DNA was studied by UV-visible spectroscopy and electrochemistry. All experimental results indicate that the complex binds to DNA by the electrostatic mode and the groove binding mode. Information such as intrinsic binding costant ( k = 1. 426 × 104 mol·L^-1 ), and binding numbers ( n = 2), were determined by cyclic vohammetry and differential pulse vohammetry at glass carbon electrode. Interaction between Eu^3+ with rutin was also studied by UV-visible spectroscopy. 展开更多
关键词 Eu^3 +-rutin complex CTDNA ELECTROCHEMISTRY uv-visible spectroscopy rare earths
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Determination of the Biodiesel Content in Petrodiesel/Biodiesel Blends: A Method Based on Uv-Visible Spectroscopy and Chemometrics Tools
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作者 Armando Guerrero Francisco Anguebes +4 位作者 Mepivoseth Castelán Victorino Morales Ismael León José C. Zavala Atl V. Córdova 《American Journal of Analytical Chemistry》 2013年第6期273-276,共4页
In this work, we developed an analytical method based on UV-visible spectroscopy to determine the concentration of biodiesel from African palm in blends of petrodiesel. Seventy-five samples with biodiesel concentratio... In this work, we developed an analytical method based on UV-visible spectroscopy to determine the concentration of biodiesel from African palm in blends of petrodiesel. Seventy-five samples with biodiesel concentrations between 0-100 wt% were prepared. The spectral fingerprints that were obtained from the analysis of the samples by UV-visible spectroscopy were used to build predictive model using PLS regression. The predictive ability of the models was evaluated through statistical parameters: the standard error of calibration (SEC), the standard error of validation (SEV), the correlation coefficient of calibration (r Cal) and validation (r Val), the ratio (SEC/SEV), the coefficient of determination R2, the paired data Student’s t-test, cross-validation and external validation. The results indicate that the PLS model predicts the concentration of biodiesel from African palm with high precision in mixtures with petrodiesel. The method developed in this study can be applied to determine the concentration of biodiesel African palm in mixtures of petrodiesel in a more rapid and economical way. Moreover, this method has less analytical errors and is more environmentally friendly than the conventional methods. 展开更多
关键词 AFRICAN PALM Petrodiesel/Biodiesel BLENDS Regression Model PLS Spectroscopy uv-visible
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基于UV-Vis漫反射、Raman与PL光谱联用技术在黄色珍珠无损检测中的应用 被引量:1
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作者 严雪俊 周扬 +3 位作者 胡丹静 俞丹燕 余思逸 严俊 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2023年第6期1703-1710,共8页
应用紫外-可见(UV-Vis)漫反射、拉曼(Raman)与光致发光(PL)光谱就当前市售的大小各异、金色饱和度深浅不一的珍珠其致色属性予以对比分析。结果表明:基于珍珠UV-Vis漫反射光谱特征的差异将金黄色珍珠初分为两种类型:Ⅰ型珍珠其谱图在(36... 应用紫外-可见(UV-Vis)漫反射、拉曼(Raman)与光致发光(PL)光谱就当前市售的大小各异、金色饱和度深浅不一的珍珠其致色属性予以对比分析。结果表明:基于珍珠UV-Vis漫反射光谱特征的差异将金黄色珍珠初分为两种类型:Ⅰ型珍珠其谱图在(360±5) nm处存在吸收带、在(420±10) nm处存在较弱的吸收峰或肩,该类珍珠为当前珍珠销售市场较为常见的自身致色珍珠;除Ⅰ型珍珠外,将其他金黄色系珍珠归属为Ⅱ型,其对应的UV-Vis反射光谱主吸收峰可位于340~430 nm区间,部分Ⅱ型样品在280~600 nm无明显吸收或仅存在较弱的吸收肩。进一步就Ⅱ型珍珠予以Raman光谱检测,在激发强度较低时经处理的Ⅱ型黄色珍珠在150~1 000 cm^(-1)区间可产生较强的荧光峰,且荧光峰的强度明显高于文石约1 086 cm^(-1)处的特征峰。同时,上述经处理的Ⅱ型珍珠对应的PL光谱同样表明在500~600 nm区间的荧光强度显著增大。此外,部分经处理的珍珠其Raman或PL光谱中可见与珍珠组成成分无关的特征峰位。上述珍珠的Raman与PL光谱中出现的异常荧光与外来特征峰可作为珍珠经处理的佐证依据。课题工作为当前金黄色珍珠颜色的形成属性及仿珍珠的鉴定提供理论与技术支撑,同时对于Raman光谱在其他类宝玉石、特别是有机宝石的检测鉴定中具有重要的借鉴意义。 展开更多
关键词 黄色珍珠 天然色 处理色 紫外-可见漫反射光谱 拉曼光谱 光致发光光谱
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Study on VUV and UV Excitation Spectrum of GdVO_4∶Eu^( 3+) 被引量:1
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作者 张庆礼 郑丽秋 +3 位作者 郭常新 施朝淑 魏亚光 戚泽明 《Journal of Rare Earths》 SCIE EI CAS CSCD 2001年第3期168-171,共4页
The photoluminescence spectra and excitation spectra in the vacuum ultraviolet (VUV) and ultraviolet (UV) spectra region of GdVO 4∶Eu 3+ were reported. The excitation and emission spectra indicate that GdVO 4... The photoluminescence spectra and excitation spectra in the vacuum ultraviolet (VUV) and ultraviolet (UV) spectra region of GdVO 4∶Eu 3+ were reported. The excitation and emission spectra indicate that GdVO 4∶Eu 3+ is a highly efficient phosphor for the excitation in the VUV and UV spectrum region. The excitation band in the VUV and UV spectrum region of 60~350 nm consists mainly of the absorption of host, which has obvious absorption of 4f n-1 5d of Eu 3+ and Gd 3+ . In GdVO 4∶Eu 3+ , there is the energy transfer: VO 4 3- →Eu 3+ , Gd 3+ →Eu 3+ and Gd 3+ →VO 4 3- →Eu 3+ . Through the last two procedures, maybe the quantum cutting of Gd 3+ -Eu 3+ occurs. 展开更多
关键词 rare earths GdVO 4∶Eu 3+ Vuv-uv excitation spectrum energy transfer
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UV-Vis Spectrum and the Third-order Nonlinear Optical Properties of the Chiral Camphorderived β-diketonate Platinum Complexes 被引量:1
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作者 龚雪 卫航 +1 位作者 骆开均 李权 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第3期422-428,共7页
UV-Vis spectrum and the third-order nonlinear optical properties of the chiral camphor-derived β-diketonate have been studied at the B3LYP/6-31G* level. The results showed that the introduction of electron-drawing g... UV-Vis spectrum and the third-order nonlinear optical properties of the chiral camphor-derived β-diketonate have been studied at the B3LYP/6-31G* level. The results showed that the introduction of electron-drawing group -CF3 and -C3F7 on β-diketonate made the strongest absorption peak red-shift and the lowest energy absorption blue-shied. Introduction of -OC2H5 on the benzene or pyridine ring made the lowest energy absorption blue-shift. When the -C2H3 was introduced on the benzene or pyridine ring, the lowest energy absorption was red-shifted. Introduction of electron-donating group on β-diketonate can enlarge their nonlinear optical properties. On the contrary, the introduction of electron-drawing group dropped it down. 展开更多
关键词 camphor-derived β-diketonate platinum complexes the third-order nonlinear optical properties uv-Vis absorption spectrum density functional theory
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Cell-cycle-dependent variation in UV absorption spectrum of Hela cells treated with Trichostatin A
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作者 Fengqiu Zhang Xiaoxia Wang Zhanguo Yang 《The Chinese-German Journal of Clinical Oncology》 CAS 2012年第12期737-740,共4页
Objective: The aim of our study was to discovery the different cell cycle arrest effect after different densities HeLa cells treated with Trichostatin A (TSA). In addition, this study would find some important rela... Objective: The aim of our study was to discovery the different cell cycle arrest effect after different densities HeLa cells treated with Trichostatin A (TSA). In addition, this study would find some important relationship between cycle arrest effect and UV absorption spectrum of cell. Methods: 0.2 IJM TSA was applied to act on HeLa cells of different density. Then, the cycle arrest effect and UV absorption spectrum of cells were investigated, which provide support to analyze the effect of TSA on cancer cells. Results: Cell cycle arrest effect in G0/G1 of the lower density cells was more obvious than that in other groups. The other discovery in this work was that the cellular UV absorption value was higher when the density of cultured cell was lower. Conclusion: This experiment would guide the clinical study on early or late stage cancer patients in the future. On the other hand, this work indicates when cells were arrested in G0/G1 phase, the cellular absorption value increased at the same time, so UV absorption spectrum could characterize the change of cell cycle. 展开更多
关键词 Trichostatin A HeLa cells cell cycle uv absorption spectrum
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New Preparation Method of Visible Light Responsive Titanium Dioxide Photocatalytic Films
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作者 Kaori Nishizawa Masahisa Okada Eiji Watanabe 《Materials Sciences and Applications》 2014年第3期112-123,共12页
We report a new and simple preparation method of the visible light responsive Titanium dioxide (TiO2) photocatalytic films using sol-gel method and ultraviolet light (UV) irradiation. Proposed films were prepared on f... We report a new and simple preparation method of the visible light responsive Titanium dioxide (TiO2) photocatalytic films using sol-gel method and ultraviolet light (UV) irradiation. Proposed films were prepared on fused silica plates using titanium tetra-isopropoxide, urea, 2-methoxyethanol, water and UV irradiation. The 650°C-annealed films were carbon-containing anatase type TiO2, not carbon-doped ones. The prepared films absorbed visible light with wavelengths longer than 400 nm. Also, organic dyes were effectively photodegradated by visible light irradiation in the presence of these films. 展开更多
关键词 TITANIUM Dioxide Films SOL-GEL Method uv IRRADIATION visible Light RESPONSIVE PHOTOCATALYST
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Ultraviolet-visible spectral properties of nanometer zinc oxide colloidal solution
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作者 刘建本 陈上 +3 位作者 吴竹青 肖卓炳 张永康 黄伯云 《Journal of Central South University of Technology》 2003年第1期49-52,共4页
Nanometer zinc oxide was prepared by solid phase reaction. And the ultraviolet visible spectral properties of nanometer zinc oxide colloidal solution dispersed in both water and oil phases were studied. The results sh... Nanometer zinc oxide was prepared by solid phase reaction. And the ultraviolet visible spectral properties of nanometer zinc oxide colloidal solution dispersed in both water and oil phases were studied. The results show that the absorbance of the colloidal solution to ultraviolet light increases with the decrease of wavelength and reaches about 2.5 at the wavelength of 200 nm. When the mass fraction of nanometer zinc oxide becomes lower, the transmittance of the colloidal solution to visible light gets higher, and it is much higher than that of normal zinc oxide under the same conditions, indicating that nanometer zinc oxide dispersed in both water and oil phases has high transmittance to visible light and good shield to ultraviolet light. Therefore it is suitable for the replacement of organic ultraviolet absorber and titanium dioxide in cosmetics. 展开更多
关键词 NANOMETER ZnO ULTRAVIOLET -visible spectrum COLLOIDAL solution
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紫外分光光度法测定歧化松香中去氢枞酸含量的干扰因素研究
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作者 王宏晓 沈娟章 +1 位作者 马艳 谭卫红 《林产化学与工业》 CAS CSCD 北大核心 2024年第3期30-36,共7页
利用液相色谱仪、制备液相色谱仪、气相色谱质谱联用仪,对歧化松香(DR)中去氢枞酸(DA)紫外光谱测定方法的干扰因素进行了详细研究。测定的市售不同省份的5个样品中有2个主要干扰物质,进一步定性,确定干扰物质1为6,8,11,13-枞四烯酸(ATA)... 利用液相色谱仪、制备液相色谱仪、气相色谱质谱联用仪,对歧化松香(DR)中去氢枞酸(DA)紫外光谱测定方法的干扰因素进行了详细研究。测定的市售不同省份的5个样品中有2个主要干扰物质,进一步定性,确定干扰物质1为6,8,11,13-枞四烯酸(ATA),干扰物质2为混合物,主要检出物为去氢枞醛(D)和枞酸(AA)。采用二阶导数光谱法和偏最小二乘(PLS)法对紫外光谱数据进行分析,以消除去氢枞酸紫外分光光度法的干扰,结果表明:PLS法比二阶导数光谱法误差更小,能够同时消除多种干扰因素,使测试结果更加接近真实值。 展开更多
关键词 歧化松香 紫外可见分光光度法 干扰因素 偏最小二乘法
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气溶胶谱分段拟合对能见度计算的影响
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作者 庄子波 杨晓婷 台宏达 《大气与环境光学学报》 CAS CSCD 2024年第3期301-313,共13页
针对气溶胶谱分布函数拟合中存在的偏差严重影响能见度计算精度的问题,提出了一种采用Junge谱与Deirmendjian谱结合的分段拟合方法来提高气溶胶谱分布函数的精度,并在大气环境模拟舱内进行了实验验证。首先,在大气模拟舱内生成了气溶胶... 针对气溶胶谱分布函数拟合中存在的偏差严重影响能见度计算精度的问题,提出了一种采用Junge谱与Deirmendjian谱结合的分段拟合方法来提高气溶胶谱分布函数的精度,并在大气环境模拟舱内进行了实验验证。首先,在大气模拟舱内生成了气溶胶多峰谱分布,建立了气溶胶谱分布的参数化模型。然后,对比分析了所提综合谱分段拟合方法和单一谱函数法拟合谱函数的相对误差和相关系数。最后,基于相对偏差和相关性评估了所提方法计算能见度的精度。结果表明利用所提方法计算获得的能见度与观测值的平均相对偏差为4.87%,相关性R^(2)=0.9847,证明其拟合结果具有较好的准确性、稳定性,且与实际观测值具有较好一致性。 展开更多
关键词 散射 分段拟合 气溶胶谱分布 数浓度 能见度
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紫外吸收光谱结合SPA-ELM算法的水体磷酸根离子检测研究
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作者 郑培超 尹义同 +4 位作者 王金梅 周椿棪 张莉 曾金锐 吕强 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2024年第1期82-87,共6页
在工业锅炉中随着水蒸气蒸发,大量的钙镁离子留在炉水中,如果不加处理,在水冷管中会形成水垢,造成爆管停炉。为了保障设备的安全运行,消除安全隐患,工业上通过维持水中一定含量的磷酸根离子来去除锅炉中的钙、镁水垢。传统的磷酸根离子... 在工业锅炉中随着水蒸气蒸发,大量的钙镁离子留在炉水中,如果不加处理,在水冷管中会形成水垢,造成爆管停炉。为了保障设备的安全运行,消除安全隐患,工业上通过维持水中一定含量的磷酸根离子来去除锅炉中的钙、镁水垢。传统的磷酸根离子检测技术主要有比色法、分光光度法、色谱法、电位法等,这些方法前期处理步骤较繁琐且耗时较长。光谱法是通过测定物质的吸收光谱并建立和浓度关系的数学模型,对物质浓度定量的一种分析方法。为了满足磷酸根离子快速、实时测量的要求,提出了一种基于紫外吸收光谱结合SPA-ELM算法快速测量磷酸根离子的方法。按照我国《工业锅炉水质GB/T 1576—2018》中所规定的进入热水锅炉前的水质参数要求,配置37份浓度范围在5~100 mg·L^(-1)磷酸根溶液,使用搭建的实验装置,采集紫外吸收光谱。使用SPXY将样品按照7∶3的比例随机划分训练集、测试集;使用Savitzky-Golay(S-G)滤波对数据预处理以提高光谱的信噪比;通过连续投影算法(SPA)压缩光谱数据,筛选出5个与磷酸根强相关的特征波长;使用极限学习机(ELM)将特征波长处的吸光度与样本浓度进行拟合,以决定系数R2和均方根误差RMSE作为模型评价指标,建立磷酸根离子的回归模型。采用所提出的建模方法所建立的模型训练集的R2与RMSE分别为0.9972和1.3015 mg·L^(-1),测试集的R^(2)与RMSE分别为0.9995和0.5174 mg·L^(-1)。为了验证所提出的SPA-ELM预测模型效果,另外建立了LASSO-ELM、PCA-ELM、SPA-PLS和SPA-SVR四种预测模型进行对比。实验结果表明,SPA-ELM建立的预测模型的R2和RMSE均优于其他四种预测模型,说明采用的特征选择方法和回归方法均为最优,能够对磷酸根浓度范围为5~100 mg·L^(-1)的水体进行准确预测,为水中磷酸根离子的检测提供了一种新的解决方法。 展开更多
关键词 磷酸根离子 紫外吸收光谱 连续投影算法 极限学习机
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氟诺哌齐结构和性质的密度泛函理论研究
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作者 孙婷婷 王德堂 《原子与分子物理学报》 CAS 北大核心 2025年第2期41-48,共8页
氟诺哌齐是一种新型的抗阿尔茨海默病临床候选药物,目前尚处于临床试验阶段;对氟诺哌齐进行密度泛函理论研究,有助于揭示其分子的性质和功能.在B3LYP/6-311+G(d,p)基组水平上,采用密度泛函理论(DFT)的方法优化氟诺哌齐的分子结构;在相... 氟诺哌齐是一种新型的抗阿尔茨海默病临床候选药物,目前尚处于临床试验阶段;对氟诺哌齐进行密度泛函理论研究,有助于揭示其分子的性质和功能.在B3LYP/6-311+G(d,p)基组水平上,采用密度泛函理论(DFT)的方法优化氟诺哌齐的分子结构;在相同基组水平下经过谐振频率分析,证实了12种分子构象的稳定结构,并确定了优势构型为DC20-1.根据Marcus理论,对其重组能进行模拟计算,得出氟诺哌齐分子不具备运输性质.通过前线轨道(FMO)分析,发现氟诺哌齐分子具有一定的电子跃迁能力和分子内反应活性,活性反应位点为C15、O28、C23和O26.根据红外光谱、紫外-可见吸收光谱模拟计算结果,对谱图数据进行了讨论分析,研究结果可作为氟诺哌齐表征和鉴别的参考依据. 展开更多
关键词 氟诺哌齐 密度泛函(DFT) 重组能 前线轨道(FMO) 红外光谱(IR) 紫外-可见吸收光谱(uv-Vis)
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