Dioxin is a highly toxic and caustic substance,which widely existed in the atmosphere,soil and water with tiny particles.Dioxin pollution has become a major problem that concerns the survival of mankind,which must be ...Dioxin is a highly toxic and caustic substance,which widely existed in the atmosphere,soil and water with tiny particles.Dioxin pollution has become a major problem that concerns the survival of mankind,which must be strictly controlled.The bond length,bond angle,energy,dipole moment,orbital energy level distribution of dioxin under the external field are investigated using DFT(density functional theory)on basis set level of B3LYP/6-31G(d,p).The results indicate that with the increase of the electric field,the length of one Carbon-Oxygen bond increases while another Carbon-Oxygen bond decreases.The energy gradually decreases with the electric field,while the change of the dipole moment has an opposite trend.In the infrared spectra,the vibration frequency decreases with the electric field increasing and shows an obvious red shift.Moreover,the ultraviolet-visible absorption spectra under different electric fields are analyzed with TD-DFT(time-dependent density functional theory)method.The wavelength of the strongest absorption peak increases and occurs red shift with the increase of the electric field.All the above results can provide reference for further research on the properties of dioxin under different external electric field.展开更多
Optimizing sewage collection is important for water pollution control and wastewater treatment plants quality and efficiency improvement.Currently,the urban drainage pipeline network is upgrading to improve its classi...Optimizing sewage collection is important for water pollution control and wastewater treatment plants quality and efficiency improvement.Currently,the urban drainage pipeline network is upgrading to improve its classification and collection ability.However,there is a lack of efficient online monitoring and identification technology.UV-visible absorption spectrum probe is considered as a potential monitoring method due to its small size,reagent-free and fast detection.Because the performance parameters of probe like optic resolution,dynamic interval and signal-to-noise ratio are weak and high turbidity of sewage raises the noise level,it is necessary to extract shape features from the turbidity disturbed drainage spectrum for classification purposes.In this study,drainage network samples were online collected and tested,and four types were labeled according to sample sites and environment situation.Derivative spectrum were adopted to amplify the shape features,while convolutional neural network algorithm was established to conduct nonlinear spectrum classification.Influence of input and network structure on classification accuracy was compared.Original spectrum,first-order derivative spectrum and a combination of both were set to be three different inputs.Artificial neural network with or without convolutional layer were set be two different network structures.The results revealed a convolutional neural network combined with inputs of first and zero-order derivatives was proposed to have the best classification effect on domestic sewage,mixed rainwater,rainwater and industrial sewage.The recognition rate of industrial wastewater was 100%,and the recognition rate of domestic sewage and rainwater mixing system were over 90%.展开更多
A nest-like architectures(ZnO NAs)were prepared onto the conductive glass(ITO)by hydrothermal method.A metal-free porphyrin,tetraphenylporphyrin(H2TPP),was synthesized via Adler method.Zn ions with Zn-unsaturated coor...A nest-like architectures(ZnO NAs)were prepared onto the conductive glass(ITO)by hydrothermal method.A metal-free porphyrin,tetraphenylporphyrin(H2TPP),was synthesized via Adler method.Zn ions with Zn-unsaturated coordination bonds on the surface of ZnO NAs were used as a template,and also H2TPP was used as"molecular fragments".Zinc tetraphenylporphyrin(ZnTPP)molecules were obtained on the surface of ZnO NAs by in-situ method.ZnO NAs direct provides of zinc source makes ZnTPP stably coated on the surface of ZnO NAs nanosheet,formed a tight composite materials(ZnTPP/ZnO NAs).Due toZnTPP with four phenyls in meso position,the surface of ZnTPP/ZnO NAs was with hydrophobic property.In the photocatalytic experiment,the degradation selectivity for phenol(hydrophobicity)in the mixture of phenol and rhodamine B(hydrophily)was increased under visible irradiation.展开更多
Size-controlled flow synthesis of nanoporous particles are of considerable interest for future industrial applications,however,is facing challenges due to lack of in-situ method for size-characterization in fluidic en...Size-controlled flow synthesis of nanoporous particles are of considerable interest for future industrial applications,however,is facing challenges due to lack of in-situ method for size-characterization in fluidic environment.We present that ultraviolet-visible(UV-vis)absorption spectroscopy can be integrated into a flow-synthesis system which was produced by femtosecond laser micro machining.The shift of the absorption peak position of the ex-situ and in-situ UV-vis spectra correlates to variation of size of porous metal-organic frameworks crystals.ZIF-67 crystals with a size in the range from 200 nm to1025 nm are fabricated with the assistance of tri-ethylamine under monitoring of in-situ UV-vis spectra.The ZIF-67 crystals are converted into nanoporous carbons particles with controlled sizes.These materials show size-dependent performance in Na-ion battery and size-independent performance in metal/H_(2)O seawater battery.展开更多
[Objectives]The content of total anthraquinone and 5 free anthraquinones in different processed products of rhubarb were determined.[Methods]Using emodin as the reference,the concentration of 1%magnesium acetate metha...[Objectives]The content of total anthraquinone and 5 free anthraquinones in different processed products of rhubarb were determined.[Methods]Using emodin as the reference,the concentration of 1%magnesium acetate methanol solution was used for color development,and the absorbance was measured at 516 nm wavelength;the mobile phase was methanol-0.1%phosphoric acid(76∶24)aqueous solution,the detection wavelength was set at 256 nm,the flow rate was 1.0 mL/min,the column temperature was 30℃,and the sample size was 10μL.[Results]The content of total anthraquinones in rhubarb was determined by UV spectrophotometry.The linear range was 0.98-23.52μg/mL,R2=0.9993,the average recoveries were 100.12%,99.66%and 99.15%,with RSDs of 1.58%,0.94%and 1.41%,respectively.The linear ranges of emodin,emodin,emodin,chrysophanol and emodin methyl ether were 0.0207-0.414(R2=0.9999),0.1721-3.442(R2=0.9996),0.0203-0.406(R2=0.9999),0.148-2.96(R2=0.9998)and 0.164-3.28(R2=0.9993),respectively.[Conclusions]The contents of total anthraquinones and free anthraquinones in different processed products of rhubarb were determined by UV spectrophotometry and HPLC.The method can be used for quality control of rhubarb and its different processed products.展开更多
[Objectives]To optimize the extraction process of total flavonoids from Eucommiae Cortex,establish the extraction and content determination methods of its medicinal materials,and study its in vitro antioxidant activit...[Objectives]To optimize the extraction process of total flavonoids from Eucommiae Cortex,establish the extraction and content determination methods of its medicinal materials,and study its in vitro antioxidant activity.[Methods]The total flavonoids from Eucommiae Cortex were extracted by reflux extraction method,and the effects of extraction method,extraction solvent concentration,extraction volume,and extraction time on the total flavonoids content of the medicinal materials were explored through the single factor experiment.Orthogonal experiment was carried out to optimize the extraction process conditions,and the optimal extraction process for total flavonoids from Eucommiae Cortex was screened out.The total antioxidant capacity index was used to determine the free radical scavenging ability of the total flavonoids from Eucommiae Cortex.[Results]The optimal extraction process of total flavonoids from Eucommiae Cortex was 50%ethanol,1∶40 solid-to-liquid-ratio,and 1.5 h reflux extraction time.Through the antioxidant experiment in vitro,it is found that the total flavonoids from Eucommiae Cortex have a higher scavenging ability for the total antioxidant capacity,and there is a certain positive correlation with the mass concentration of total flavonoids.[Conclusions]This method can effectively determine the total flavonoids content of Eucommiae Cortex medicinal material,and provide a certain scientific basis for the quality standard research of the medicinal material.The total flavonoids from Eucommiae Cortex have good in vitro antioxidant activity.And the method for extracting total flavonoids from Eucommiae Cortex medicinal material in this experiment has good repeatability,high stability and feasibility.展开更多
A simple, quick, sensitive, accurate and precise method has been developed for evaluating the catalytic active sites of titanium silicalite-1 (TS-1). The catalytic active sites of titanium silicalite zeolite depend on...A simple, quick, sensitive, accurate and precise method has been developed for evaluating the catalytic active sites of titanium silicalite-1 (TS-1). The catalytic active sites of titanium silicalite zeolite depend on the effectively active species (EAS) in TS-1 which react with specific substrates quickly. However, the EAS was hard to be evaluated with conventional instruments and techniques in the past. In this paper, the EAS was formed in TS-1 upon interaction with H2O2, and its presence could be confirmed by UV-vis spectroscopy which has an absorption peak at 385 nm. The absorbance at 385 nm was found to be linearly related to time, and when the absorbance and the increasing rate of absorbance (k) increased, the catalytic performance of TS-1 enhanced.展开更多
Purpose: The purpose of this study is to assess molecular interactions between several anticancer drugs and an iodinated contrast medium by Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spect...Purpose: The purpose of this study is to assess molecular interactions between several anticancer drugs and an iodinated contrast medium by Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spectroscopy (UV-Vis). Materials and Methods: Iopamidol (IPM) was used as an iodinated contrast medium, and mitomycin C (MTI), epirubicin hydrochloride (EPI), cisplatin (CDDP), 5-fluorouracil (5FU), irinotecan hydrochloride (CPT11), gemcitabine hydrochloride (dFdC), carboplatin (CBDCA), oxaliplatin (1OHP), paclitaxel hydrochloride (TAX) and docetaxel trihydrate (TXT) were used as anticancer drugs. For FT-IR, the purified IPM was mixed stoichiometrically with each anticancer drug as well as with a combination of MTI and EPI. After measuring each separated sample and the mixtures, the spectra of the mixtures were compared with the spectra of the sum of pure samples or the combination. For UV-Vis, IPM and anticancer drugs were dissolved in pure water;subsequently for the titration experiments, the mixtures were prepared by varying the molar ratio. IR absorption corresponds to stretching vibrations between atoms having covalent bonding, whereas UV-Vis spectra depend on molecular dynamics and shapes. Both UV-Vis and IR spectra change when there are molecular interactions such as aromatic ring stacking and hydrogen bonding. Result: IPM exhibited molecular interactions with MTI, EPI, CDDP, dFdC, CBDCA, 1OHP, TAX and TXT, as well as with the combination of MTI and EPI on FT-IR. However, molecular interactions were not observed on UV-Vis. Conclusion: Several anticancer drugs have molecular interactions with IPM, which could be clinically utilized for superselective intraarterial infusion chemotherapy.展开更多
At present, CuInSe2 (referred to as CIS) semiconductor has become one of the hot points in solar cell field at home and abroad for its excellent performances, such as direct bandgap, high light absorption coefficient,...At present, CuInSe2 (referred to as CIS) semiconductor has become one of the hot points in solar cell field at home and abroad for its excellent performances, such as direct bandgap, high light absorption coefficient, high photoelectric conversion efficiency and long-term stability. In this paper, the CIS bulk materials are prepared by the horizontal Bridgman method with double-heat sources, the crystal structure, microstructure morphology and composition of the samples are analyzed in X-ray diffraction instrument (XRD) and scanning electronic microscope (SEM) with Energy Dispersive X-ray Spectrum (EDX), and surface electrical state and electrical properties of the samples are characterized in X-ray photoelectron spectroscopy (XPS) and four point resistivity test system. The results show that the CIS crystal was grown, and that the conductive performance of the samples is good which display the characteristics of p-type semiconductor. Furthermore, a thin film CIS sample was obtained by argon ion-beam scanning bombardment, and it has high solar energy absorptivity and the bandgap of 0.99 eV analyzed in Ultraviolet-visible Spectrum that is suitable for solar cell. Keywords:展开更多
Two multiamide calyx[4].arenas(5,6)were synthesized and characterized by IR,1H NMR,MS and elemental analysis.The binding properties of receptors with some anions (p-O2NphOpO2-3,p-O2NphO-,H2PO-4,Ac-,CI-,Br- and I-)Were...Two multiamide calyx[4].arenas(5,6)were synthesized and characterized by IR,1H NMR,MS and elemental analysis.The binding properties of receptors with some anions (p-O2NphOpO2-3,p-O2NphO-,H2PO-4,Ac-,CI-,Br- and I-)Were studied by UV-Vis spectra.The results indicate that the tetraamide calix[4]arenas (5,6) have a good selectivity to the anions containing aromatic ring (p-O2NphOpO2-3,p-O2NphO-).The 1:1 complexes between host and guest were formed through multiple hydrogen bonding and π-π interactions.The hosts 5 and 6 also show a definite binding ability for the anions (H2PO-4,Ac-,CI-) that have no ultraviolet absorption,which provides a simple method of spectrum detection for these anions.展开更多
Recently, intramolecular long distance electron transfer has received much attention and chemists are attempting to elucidate the factors that control the rates of metalloprotein electron transfer reactions. One impor...Recently, intramolecular long distance electron transfer has received much attention and chemists are attempting to elucidate the factors that control the rates of metalloprotein electron transfer reactions. One important factor that we know展开更多
基金The project is supported by Natural Science Foundation of Xinjiang(No.2017D01B36).
文摘Dioxin is a highly toxic and caustic substance,which widely existed in the atmosphere,soil and water with tiny particles.Dioxin pollution has become a major problem that concerns the survival of mankind,which must be strictly controlled.The bond length,bond angle,energy,dipole moment,orbital energy level distribution of dioxin under the external field are investigated using DFT(density functional theory)on basis set level of B3LYP/6-31G(d,p).The results indicate that with the increase of the electric field,the length of one Carbon-Oxygen bond increases while another Carbon-Oxygen bond decreases.The energy gradually decreases with the electric field,while the change of the dipole moment has an opposite trend.In the infrared spectra,the vibration frequency decreases with the electric field increasing and shows an obvious red shift.Moreover,the ultraviolet-visible absorption spectra under different electric fields are analyzed with TD-DFT(time-dependent density functional theory)method.The wavelength of the strongest absorption peak increases and occurs red shift with the increase of the electric field.All the above results can provide reference for further research on the properties of dioxin under different external electric field.
基金supported by the National Key R&D Program of China(No.2019YFD1100505)the program of China Scholarship Council(No.201806210101).
文摘Optimizing sewage collection is important for water pollution control and wastewater treatment plants quality and efficiency improvement.Currently,the urban drainage pipeline network is upgrading to improve its classification and collection ability.However,there is a lack of efficient online monitoring and identification technology.UV-visible absorption spectrum probe is considered as a potential monitoring method due to its small size,reagent-free and fast detection.Because the performance parameters of probe like optic resolution,dynamic interval and signal-to-noise ratio are weak and high turbidity of sewage raises the noise level,it is necessary to extract shape features from the turbidity disturbed drainage spectrum for classification purposes.In this study,drainage network samples were online collected and tested,and four types were labeled according to sample sites and environment situation.Derivative spectrum were adopted to amplify the shape features,while convolutional neural network algorithm was established to conduct nonlinear spectrum classification.Influence of input and network structure on classification accuracy was compared.Original spectrum,first-order derivative spectrum and a combination of both were set to be three different inputs.Artificial neural network with or without convolutional layer were set be two different network structures.The results revealed a convolutional neural network combined with inputs of first and zero-order derivatives was proposed to have the best classification effect on domestic sewage,mixed rainwater,rainwater and industrial sewage.The recognition rate of industrial wastewater was 100%,and the recognition rate of domestic sewage and rainwater mixing system were over 90%.
文摘A nest-like architectures(ZnO NAs)were prepared onto the conductive glass(ITO)by hydrothermal method.A metal-free porphyrin,tetraphenylporphyrin(H2TPP),was synthesized via Adler method.Zn ions with Zn-unsaturated coordination bonds on the surface of ZnO NAs were used as a template,and also H2TPP was used as"molecular fragments".Zinc tetraphenylporphyrin(ZnTPP)molecules were obtained on the surface of ZnO NAs by in-situ method.ZnO NAs direct provides of zinc source makes ZnTPP stably coated on the surface of ZnO NAs nanosheet,formed a tight composite materials(ZnTPP/ZnO NAs).Due toZnTPP with four phenyls in meso position,the surface of ZnTPP/ZnO NAs was with hydrophobic property.In the photocatalytic experiment,the degradation selectivity for phenol(hydrophobicity)in the mixture of phenol and rhodamine B(hydrophily)was increased under visible irradiation.
基金supported by National Natural Science Foundation of China(Nos.11674340,21473059)Key Project of the Shanghai Science and Technology Committee(No.18DZ1112700)。
文摘Size-controlled flow synthesis of nanoporous particles are of considerable interest for future industrial applications,however,is facing challenges due to lack of in-situ method for size-characterization in fluidic environment.We present that ultraviolet-visible(UV-vis)absorption spectroscopy can be integrated into a flow-synthesis system which was produced by femtosecond laser micro machining.The shift of the absorption peak position of the ex-situ and in-situ UV-vis spectra correlates to variation of size of porous metal-organic frameworks crystals.ZIF-67 crystals with a size in the range from 200 nm to1025 nm are fabricated with the assistance of tri-ethylamine under monitoring of in-situ UV-vis spectra.The ZIF-67 crystals are converted into nanoporous carbons particles with controlled sizes.These materials show size-dependent performance in Na-ion battery and size-independent performance in metal/H_(2)O seawater battery.
基金the Training Project of National Traditional Chinese Medicine Characteristic Technology Inheritance Talents(T20184828005,201548160100).
文摘[Objectives]The content of total anthraquinone and 5 free anthraquinones in different processed products of rhubarb were determined.[Methods]Using emodin as the reference,the concentration of 1%magnesium acetate methanol solution was used for color development,and the absorbance was measured at 516 nm wavelength;the mobile phase was methanol-0.1%phosphoric acid(76∶24)aqueous solution,the detection wavelength was set at 256 nm,the flow rate was 1.0 mL/min,the column temperature was 30℃,and the sample size was 10μL.[Results]The content of total anthraquinones in rhubarb was determined by UV spectrophotometry.The linear range was 0.98-23.52μg/mL,R2=0.9993,the average recoveries were 100.12%,99.66%and 99.15%,with RSDs of 1.58%,0.94%and 1.41%,respectively.The linear ranges of emodin,emodin,emodin,chrysophanol and emodin methyl ether were 0.0207-0.414(R2=0.9999),0.1721-3.442(R2=0.9996),0.0203-0.406(R2=0.9999),0.148-2.96(R2=0.9998)and 0.164-3.28(R2=0.9993),respectively.[Conclusions]The contents of total anthraquinones and free anthraquinones in different processed products of rhubarb were determined by UV spectrophotometry and HPLC.The method can be used for quality control of rhubarb and its different processed products.
基金Supported by Special Project for Central Leading Local Science and Technology Development in Sichuan Province:Southwestern Characteristic Chinese Medicine Resources Genetics Innovation Platform(2020ZYD058)Young Teachers Enhancement Project of Guangxi Department of Education in 2018(2018KY0300)2019-2021 Guangxi First-class Discipline Construction Open Project Fund for Young Scholars of Guangxi University of Chinese Medicine(2019XK089).
文摘[Objectives]To optimize the extraction process of total flavonoids from Eucommiae Cortex,establish the extraction and content determination methods of its medicinal materials,and study its in vitro antioxidant activity.[Methods]The total flavonoids from Eucommiae Cortex were extracted by reflux extraction method,and the effects of extraction method,extraction solvent concentration,extraction volume,and extraction time on the total flavonoids content of the medicinal materials were explored through the single factor experiment.Orthogonal experiment was carried out to optimize the extraction process conditions,and the optimal extraction process for total flavonoids from Eucommiae Cortex was screened out.The total antioxidant capacity index was used to determine the free radical scavenging ability of the total flavonoids from Eucommiae Cortex.[Results]The optimal extraction process of total flavonoids from Eucommiae Cortex was 50%ethanol,1∶40 solid-to-liquid-ratio,and 1.5 h reflux extraction time.Through the antioxidant experiment in vitro,it is found that the total flavonoids from Eucommiae Cortex have a higher scavenging ability for the total antioxidant capacity,and there is a certain positive correlation with the mass concentration of total flavonoids.[Conclusions]This method can effectively determine the total flavonoids content of Eucommiae Cortex medicinal material,and provide a certain scientific basis for the quality standard research of the medicinal material.The total flavonoids from Eucommiae Cortex have good in vitro antioxidant activity.And the method for extracting total flavonoids from Eucommiae Cortex medicinal material in this experiment has good repeatability,high stability and feasibility.
文摘A simple, quick, sensitive, accurate and precise method has been developed for evaluating the catalytic active sites of titanium silicalite-1 (TS-1). The catalytic active sites of titanium silicalite zeolite depend on the effectively active species (EAS) in TS-1 which react with specific substrates quickly. However, the EAS was hard to be evaluated with conventional instruments and techniques in the past. In this paper, the EAS was formed in TS-1 upon interaction with H2O2, and its presence could be confirmed by UV-vis spectroscopy which has an absorption peak at 385 nm. The absorbance at 385 nm was found to be linearly related to time, and when the absorbance and the increasing rate of absorbance (k) increased, the catalytic performance of TS-1 enhanced.
文摘Purpose: The purpose of this study is to assess molecular interactions between several anticancer drugs and an iodinated contrast medium by Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spectroscopy (UV-Vis). Materials and Methods: Iopamidol (IPM) was used as an iodinated contrast medium, and mitomycin C (MTI), epirubicin hydrochloride (EPI), cisplatin (CDDP), 5-fluorouracil (5FU), irinotecan hydrochloride (CPT11), gemcitabine hydrochloride (dFdC), carboplatin (CBDCA), oxaliplatin (1OHP), paclitaxel hydrochloride (TAX) and docetaxel trihydrate (TXT) were used as anticancer drugs. For FT-IR, the purified IPM was mixed stoichiometrically with each anticancer drug as well as with a combination of MTI and EPI. After measuring each separated sample and the mixtures, the spectra of the mixtures were compared with the spectra of the sum of pure samples or the combination. For UV-Vis, IPM and anticancer drugs were dissolved in pure water;subsequently for the titration experiments, the mixtures were prepared by varying the molar ratio. IR absorption corresponds to stretching vibrations between atoms having covalent bonding, whereas UV-Vis spectra depend on molecular dynamics and shapes. Both UV-Vis and IR spectra change when there are molecular interactions such as aromatic ring stacking and hydrogen bonding. Result: IPM exhibited molecular interactions with MTI, EPI, CDDP, dFdC, CBDCA, 1OHP, TAX and TXT, as well as with the combination of MTI and EPI on FT-IR. However, molecular interactions were not observed on UV-Vis. Conclusion: Several anticancer drugs have molecular interactions with IPM, which could be clinically utilized for superselective intraarterial infusion chemotherapy.
文摘At present, CuInSe2 (referred to as CIS) semiconductor has become one of the hot points in solar cell field at home and abroad for its excellent performances, such as direct bandgap, high light absorption coefficient, high photoelectric conversion efficiency and long-term stability. In this paper, the CIS bulk materials are prepared by the horizontal Bridgman method with double-heat sources, the crystal structure, microstructure morphology and composition of the samples are analyzed in X-ray diffraction instrument (XRD) and scanning electronic microscope (SEM) with Energy Dispersive X-ray Spectrum (EDX), and surface electrical state and electrical properties of the samples are characterized in X-ray photoelectron spectroscopy (XPS) and four point resistivity test system. The results show that the CIS crystal was grown, and that the conductive performance of the samples is good which display the characteristics of p-type semiconductor. Furthermore, a thin film CIS sample was obtained by argon ion-beam scanning bombardment, and it has high solar energy absorptivity and the bandgap of 0.99 eV analyzed in Ultraviolet-visible Spectrum that is suitable for solar cell. Keywords:
基金This work was supported by the National Natural Science Foundation of China(Grant No.20072029).
文摘Two multiamide calyx[4].arenas(5,6)were synthesized and characterized by IR,1H NMR,MS and elemental analysis.The binding properties of receptors with some anions (p-O2NphOpO2-3,p-O2NphO-,H2PO-4,Ac-,CI-,Br- and I-)Were studied by UV-Vis spectra.The results indicate that the tetraamide calix[4]arenas (5,6) have a good selectivity to the anions containing aromatic ring (p-O2NphOpO2-3,p-O2NphO-).The 1:1 complexes between host and guest were formed through multiple hydrogen bonding and π-π interactions.The hosts 5 and 6 also show a definite binding ability for the anions (H2PO-4,Ac-,CI-) that have no ultraviolet absorption,which provides a simple method of spectrum detection for these anions.
基金Project supported by the National Natural Science Foundation of China.
文摘Recently, intramolecular long distance electron transfer has received much attention and chemists are attempting to elucidate the factors that control the rates of metalloprotein electron transfer reactions. One important factor that we know
