The electronic struc ture of nanostructured SiO_(2) was studied by means of ultraviolet-near infrared,absorption spectra.A strong and broad absorption band was observed in the wavelength range of ultraviolet-near infr...The electronic struc ture of nanostructured SiO_(2) was studied by means of ultraviolet-near infrared,absorption spectra.A strong and broad absorption band was observed in the wavelength range of ultraviolet-near infrared light.This band is caused by the electronic transition from the valence band to the defect energy level in the bandgap which was theoretically calculated by using molecular orbital approach.With increasing the annealing temperature,the red shift of this band was observed.The mechanism of this band is discussed.展开更多
During wet complexation denitrification of flue gas,Fe^(Ⅱ)EDTA regeneration,also known as reducing Fe^(Ⅱ)EDTA and Fe^(Ⅱ)EDTA-nitric oxide(NO)to Fe^(Ⅱ)EDTA,is crucial.In this paper,ultraviolet(UV)light was used for...During wet complexation denitrification of flue gas,Fe^(Ⅱ)EDTA regeneration,also known as reducing Fe^(Ⅱ)EDTA and Fe^(Ⅱ)EDTA-nitric oxide(NO)to Fe^(Ⅱ)EDTA,is crucial.In this paper,ultraviolet(UV)light was used for the first time to reduce Fe^(Ⅱ)EDTA-NO.The experimental result demonstrated that Fe^(Ⅱ)EDTA-NO reduction rate increased with UV power increasing,elevated temperature,and initial Fe^(Ⅱ)EDTA-NO concentration decreasing.Fe^(Ⅱ)EDTA-NO reduction rate increased first and then decreased as pH value increased(2.0-10.0).Fe^(Ⅱ)EDTA-NO reduction with UV irradiation presented a first order reaction with respect to Fe^(Ⅱ)EDTA-NO.Compared with other Fe^(Ⅱ)EDTA regeneration methods,Fe^(Ⅱ)EDTA regeneration with UV show more superiority through comprehensive consideration of regeneration rate and procedure.Subsequently,NO absorption experiment by Fe^(Ⅱ)EDTA solution with UV irradiation confirmed that UV can significantly promote the NO removal performance of Fe^(Ⅱ)EDTA.Appropriate oxygen concentration(3%(vol))and acidic environment(pH=4)was favorable for NO removal.With UV power increasing as well as temperature decreasing,NO removal efficiency rose.In addition,the mechanism research indicates that NO from flue gas is mostly converted to NO_(2)-,NO_(3)-,NH_(4)^(+),N_(2),and N_(2)O with Fe^(Ⅱ)EDTA absorption liquid with UV irradiation.UV strengthens NO removal in Fe^(Ⅱ)EDTA absorption liquid by forming a synergistic effect of oxidation-reduction-complexation.Finally,compared with NO removal methods with Fe^(Ⅱ)EDTA,Fe^(Ⅱ)EDTA combined UV system shows prominent technology advantage in terms of economy and secondary pollution.展开更多
I reminisce on my early life in Section 1;on my education in Sections 2 and 3;on the years at Princeton as a research astronomer in Section 4;on the years on the faculty at Chicago in Section 5;on research on Diffuse ...I reminisce on my early life in Section 1;on my education in Sections 2 and 3;on the years at Princeton as a research astronomer in Section 4;on the years on the faculty at Chicago in Section 5;on research on Diffuse Interstellar Bands(DIBs) in Section 6;on construction of the 3.5 m telescope at Apache Point Observatory(APO)in Section 7;on work on the Sloan Digital Sky Survey(SDSS) in Section 8;on work in public education in Chicago in Section 9;and on my travels in Section 10. My main science research is of an observational nature,concerning Galactic and intergalactic interstellar gas. Highlights for me included my work on the orbiting telescope Copernicus, including the discovery of interstellar deuterium;early observations of absorption associated with fivetimes ionized oxygen;and discoveries concerning the phases of gas in the local interstellar medium, based on previously unobservable interstellar UV spectral lines. With other instruments and collaborations, I extended interstellar UV studies to the intergalactic cool gas using quasi-stellar object QSO absorption lines redshifted to the optical part of the spectrum;provided a better definition of the emission and morphological character of the source of absorption lines in QSO spectra;and pursued the identification of the unidentified DIBs. For several of these topics, extensive collaborations with many scientists were essential over many years. The conclusions developed slowly, as I moved from being a graduate student at Chicago, to a research scientist position at Princeton and then to a faculty position at Chicago. At each stage of life, I was exposed to new technologies adaptable to my science and to subsequent projects. From high school days, I encountered several management opportunities which were formative. I have been extremely fortunate both in scientific mentors I had and in experimental opportunities I encountered.展开更多
SCO is a selective dolomite deperessant in the flotation system of collophane and dolomite. However,experi-ments confirmed that reverse phenomenon would occur for some phosphatic mines. In order to explain the SCO dep...SCO is a selective dolomite deperessant in the flotation system of collophane and dolomite. However,experi-ments confirmed that reverse phenomenon would occur for some phosphatic mines. In order to explain the SCO depress-ing mechanism i this paper describes studying results on the ef-fect of dissolved ions on SCO depressing property using ul-traviolet absorption spectra. It is found that the effect of dis-solved ions, especially Mg2+ ?on the SCO adsorption property is strong. When Mg2+ concentration is low,dolomite adsorbs SCO and is depressed. When Mgz+ concentration is more than 90g/t in pulp.SCO adsorption capacity on colophane is obvi-ously greater than that on dolomite,which results in the de-pression of collophane. The adsorption results are consistent with flotation results.展开更多
The vacuum ultraviolet absorption and emission spectra of rare-gas vander Waals molecules were observed.A large broadening of at least 240Åof Xe first resonance absorption line was obtained at cell presgure 4 atm...The vacuum ultraviolet absorption and emission spectra of rare-gas vander Waals molecules were observed.A large broadening of at least 240Åof Xe first resonance absorption line was obtained at cell presgure 4 atm.Strong continuous emission of heavier rare gases at 1300-3000Åwas obtained using self-triggered condensed discharge in aπ-shaped quartz discharge tube.展开更多
Blood plays an important role in the clinical di-agnosis and treatment, the analysis of blood will be of very important practical significance. The experiment shows that the absorption spectra of blood are of serious ...Blood plays an important role in the clinical di-agnosis and treatment, the analysis of blood will be of very important practical significance. The experiment shows that the absorption spectra of blood are of serious noise in the wave band of 200 to 300 nm, which hides the useful spectral characteristics. The effective separation of the noise was achieved by db4 wavelet transform, and the signals of reconstruction have been obviously improved in the noise serious wave band, reflecting some useful information. The absorption peaks of different samples are displaced to some degrees. The correlation between absorbance at 278nm and blood fat concentration is no significant and random. Based on the evident correlation between serum absorption spectrum and blood fat con-centration in the wave band of 265 to 282nm, a neural network model was built to forecast the blood fat concentration, bringing a relatively good prediction. This provides a new spectral test method of blood fat concentration.展开更多
New visible transparent, UV absorption, and high infrared reflection properties have been realized by depositing multilayer Si O2/Zn O: Al/Ce O2-Ti O2/Si O2 films onto glass substrates at low temperature by radio freq...New visible transparent, UV absorption, and high infrared reflection properties have been realized by depositing multilayer Si O2/Zn O: Al/Ce O2-Ti O2/Si O2 films onto glass substrates at low temperature by radio frequency magnetron sputtering. Optimum thickness of Si O2, Zn O: Al(ZAO) and Ce O2-Ti O2(CTO) films were designed with the aid of thin film design software. The degree of antireflection can be controlled by adjusting the thickness and refractive index. The outer Si O2 film can diminish the interference coloring and increase the transparency; the inner Si O2 film improves the adhesion of the coating on the glass substrate and prevents Ca2+, Na+ in the glass substrate from entering the ZAO film. The average transmittance in the visible light range increases by nearly 18%-20%, as compared to double layer ZAO/CTO films. And the films display high infrared reflection rate of above 75% in the wavelength range of 10-25 μm and good UV absorption(> 98%) properties. These systems are easy to produce on a large scale at low cost and exhibit high mechanical and chemical durability. The triple functional films with high UV absorption, antireflective and high infrared reflection rate will adapt to application in flat panel display and architectural coating glass, automotive glass, with diminishing light pollution as well as decreasing eye fatigue and increasing comfort.展开更多
As a reentry vehicle traveling through atmosphere with a very high Mach number, the ultraviolet, visible light and infrared signatures, produced from its head shock-wave layer and wake, are the foundation of detecting...As a reentry vehicle traveling through atmosphere with a very high Mach number, the ultraviolet, visible light and infrared signatures, produced from its head shock-wave layer and wake, are the foundation of detecting and identifying for the ground monitoring and the antimissile controlling and guiding system. At the same time, the gas layer radiation is also an important source of heating flux to the wall. The absorption coefficients of high temperature gas in the head shock-wave layer are basic parameters for calculations of the target ultraviolet, visible light and infrared optical characteristics, the heat shield and the aerodynamic flow-field coupling with thermal radiation. In this paper, after the thermo-chemical non-equilibrium phenomenon of hypersonic rarefied flow during reentry stage is discussed, a three-temperature model (electronic temperature Te, vibrational temperature TV and rotational-transitional temperature TR) is used to characterize energy levels population of non-equilibrium air species in the shock-wave layer and the contribution of 11-species such as N2, N2+, N, N+, O2, O2+, O, O+, NO, NO+ and e- is directly calculated by using the atomic and molecular radiation theory. At last, a model is established, which calculates the absorption coefficient of high-temperature equilibrium or non-equilibrium air. The results are in good agreement with experimentally measured data in the visible region, but are slightly bad in the ultraviolet and infrared regions.展开更多
The absorption spectra of acetylene molecules was measured under jet-cooled conditions in the wavelength range of 142.8-152.3 nm, with a tunable and highly resolved vacuum ultraviolet (VUV) laser generated by two-ph...The absorption spectra of acetylene molecules was measured under jet-cooled conditions in the wavelength range of 142.8-152.3 nm, with a tunable and highly resolved vacuum ultraviolet (VUV) laser generated by two-photon resonant four wave difference frequency mixing processes. Due to the sufficient vibrational and rotational cooling effect of the molecular beam and the higher resolution VUV laser, the observed absorption spectra exhibit more distinct spectral features than the previous works measured at room temperature. The major three vibrational bands are assigned as a C-C symmetry stretching vibrational progress (v2=0.2) of the C^1Πu state of acetylene. The observed shoulder peak at 148,2 nm is assigned to the first overtone band of the trans-bending mode V4 of the C^1Πu state of acetylene. Additionally, the two components, 4^20(μ^1Π) and 4^20(k^1Πu), are suggested to exhibit in the present absorption spectra, due to their Renner-Teller effect and transition selection rule. All band origins and bandwidths are obtained subsequently, and it is found that bandwidths are broadened and lifetimes decrease gradually with the excitation of vibration.展开更多
The demand and pursuit of chemical entities with UV filtration and antioxidant properties for enhanced photoprotection have been driven in recent times by acute exposure of humans to solar ultraviolet radiations. The ...The demand and pursuit of chemical entities with UV filtration and antioxidant properties for enhanced photoprotection have been driven in recent times by acute exposure of humans to solar ultraviolet radiations. The structural, electronic, antioxidant and UV absorption properties of drometrizole (PBT) and designed ortho-substituted derivatives are reported via DFT and TD-DFT in the gas and aqueous phases. DFT and TD-DFT computations were performed at the M062x-D3Zero/6-311++G(d,p)//B97-3c and PBE0-D3(BJ)/def2-TZVP levels of theory respectively. Reaction enthalpies related to hydrogen atom transfer (HAT), single-electron transfer followed by proton transfer (SET-PT), and sequential proton loss electron transfer (SPLET) mechanisms were computed and compared with those of phenol. Results show that the presence of -NH2 substituent reduces the O-H bond dissociation enthalpy and ionization potential, while that of -CN increases the proton affinity. The HAT and SPLET mechanisms are the most plausible in the gas and aqueous phases respectively. The molecule with the -NH2 substituent (PBT1) was identified to be the compound with the highest antioxidant activity. The UV spectra of the studied compounds are characterized by two bands in the 280 - 400 nm regions. Results from this study provide a better comprehension antioxidant mechanism of drometrizole and present a new perspective for the design of electron-donor antioxidant molecules with enhanced antioxidant-photoprotective efficiencies for applications in commercial sunscreens.展开更多
In this paper,an absorption spectroscopy measurement method was applied on two atmospheric pressure plasma sources to determine their production of nitric oxide.The concentrations are essential for evaluating the plas...In this paper,an absorption spectroscopy measurement method was applied on two atmospheric pressure plasma sources to determine their production of nitric oxide.The concentrations are essential for evaluating the plasma sources based on the principle of the Dielectric Barrier Discharge(DBD)for applications in plasma medicine.The described method is based on a setup with an electrodeless discharge lamp filled with a mixture of oxygen and nitrogen.One of the emitted wavelengths is an important resonance wavelength of nitric oxide(λ = 226.2 nm).By comparing the absorption behaviour at the minimum and maximum of the spectral absorption cross section of nitric oxide around that wavelength,and measuring the change in intensity by the absorbing plasma,the concentration of nitric oxide inside the plasma can be calculated.The produced nitric oxide concentrations depend on the pulse duration and are in the range of 180 ppm to 1400 ppm,so that a distance of about 10 cm to the respiratory tract is enough to conform to the VDI Guideline 2310.展开更多
Ultraviolet (UV) aging is one of the main factors which cause premature damage of asphalt pavements in the Tibetan Plateau, China. According to the measured levels of UV radiation, aging tests of styrene-butadiene r...Ultraviolet (UV) aging is one of the main factors which cause premature damage of asphalt pavements in the Tibetan Plateau, China. According to the measured levels of UV radiation, aging tests of styrene-butadiene rubber (SBR) asphalts with different contents of three anti-UV-aging agents including nano-TiO2, CeO2 and carbon black are performed. Common indices, which include retained penetration after thin film oven tests (TFOT) and softening point, and strategic highway research program (SHRP) indices of aged asphalts are evaluated. Infrared absorption spectral analysis is performed on asphalt specimens with 0. 8% carbon black which have been aged for different aging times (500, 1000 and 1 500 h). By grey incidence analysis, the optimal contents of anti-UV-aging agents are determined. The results show that TiO2 and CeO2 are not only good UV absorbing or shielding agents, but also strong oxidants. Carbon black is a good anti-UV-aging agent, and its optimal content is about 0. 8% of asphalt weight. UV aging of asphalt mainly occurs in the early stages of aging. The longer the aging time, the more severe the aging of asphalt.展开更多
文摘The electronic struc ture of nanostructured SiO_(2) was studied by means of ultraviolet-near infrared,absorption spectra.A strong and broad absorption band was observed in the wavelength range of ultraviolet-near infrared light.This band is caused by the electronic transition from the valence band to the defect energy level in the bandgap which was theoretically calculated by using molecular orbital approach.With increasing the annealing temperature,the red shift of this band was observed.The mechanism of this band is discussed.
基金supported by National Natural Science Foundation of China(52260012)Natural Science Foundation of Jiangxi Province(20232BAB203053,20212ACB213001,20232BAB203033)+1 种基金General Project of Jiangxi Province Key Research and Development Program(20192BBG70008)Training Plan for Academic and Technical Leaders of Major Disciplines in Jiangxi Province-youth Talent Project(20232BCJ23047).
文摘During wet complexation denitrification of flue gas,Fe^(Ⅱ)EDTA regeneration,also known as reducing Fe^(Ⅱ)EDTA and Fe^(Ⅱ)EDTA-nitric oxide(NO)to Fe^(Ⅱ)EDTA,is crucial.In this paper,ultraviolet(UV)light was used for the first time to reduce Fe^(Ⅱ)EDTA-NO.The experimental result demonstrated that Fe^(Ⅱ)EDTA-NO reduction rate increased with UV power increasing,elevated temperature,and initial Fe^(Ⅱ)EDTA-NO concentration decreasing.Fe^(Ⅱ)EDTA-NO reduction rate increased first and then decreased as pH value increased(2.0-10.0).Fe^(Ⅱ)EDTA-NO reduction with UV irradiation presented a first order reaction with respect to Fe^(Ⅱ)EDTA-NO.Compared with other Fe^(Ⅱ)EDTA regeneration methods,Fe^(Ⅱ)EDTA regeneration with UV show more superiority through comprehensive consideration of regeneration rate and procedure.Subsequently,NO absorption experiment by Fe^(Ⅱ)EDTA solution with UV irradiation confirmed that UV can significantly promote the NO removal performance of Fe^(Ⅱ)EDTA.Appropriate oxygen concentration(3%(vol))and acidic environment(pH=4)was favorable for NO removal.With UV power increasing as well as temperature decreasing,NO removal efficiency rose.In addition,the mechanism research indicates that NO from flue gas is mostly converted to NO_(2)-,NO_(3)-,NH_(4)^(+),N_(2),and N_(2)O with Fe^(Ⅱ)EDTA absorption liquid with UV irradiation.UV strengthens NO removal in Fe^(Ⅱ)EDTA absorption liquid by forming a synergistic effect of oxidation-reduction-complexation.Finally,compared with NO removal methods with Fe^(Ⅱ)EDTA,Fe^(Ⅱ)EDTA combined UV system shows prominent technology advantage in terms of economy and secondary pollution.
文摘I reminisce on my early life in Section 1;on my education in Sections 2 and 3;on the years at Princeton as a research astronomer in Section 4;on the years on the faculty at Chicago in Section 5;on research on Diffuse Interstellar Bands(DIBs) in Section 6;on construction of the 3.5 m telescope at Apache Point Observatory(APO)in Section 7;on work on the Sloan Digital Sky Survey(SDSS) in Section 8;on work in public education in Chicago in Section 9;and on my travels in Section 10. My main science research is of an observational nature,concerning Galactic and intergalactic interstellar gas. Highlights for me included my work on the orbiting telescope Copernicus, including the discovery of interstellar deuterium;early observations of absorption associated with fivetimes ionized oxygen;and discoveries concerning the phases of gas in the local interstellar medium, based on previously unobservable interstellar UV spectral lines. With other instruments and collaborations, I extended interstellar UV studies to the intergalactic cool gas using quasi-stellar object QSO absorption lines redshifted to the optical part of the spectrum;provided a better definition of the emission and morphological character of the source of absorption lines in QSO spectra;and pursued the identification of the unidentified DIBs. For several of these topics, extensive collaborations with many scientists were essential over many years. The conclusions developed slowly, as I moved from being a graduate student at Chicago, to a research scientist position at Princeton and then to a faculty position at Chicago. At each stage of life, I was exposed to new technologies adaptable to my science and to subsequent projects. From high school days, I encountered several management opportunities which were formative. I have been extremely fortunate both in scientific mentors I had and in experimental opportunities I encountered.
文摘SCO is a selective dolomite deperessant in the flotation system of collophane and dolomite. However,experi-ments confirmed that reverse phenomenon would occur for some phosphatic mines. In order to explain the SCO depress-ing mechanism i this paper describes studying results on the ef-fect of dissolved ions on SCO depressing property using ul-traviolet absorption spectra. It is found that the effect of dis-solved ions, especially Mg2+ ?on the SCO adsorption property is strong. When Mg2+ concentration is low,dolomite adsorbs SCO and is depressed. When Mgz+ concentration is more than 90g/t in pulp.SCO adsorption capacity on colophane is obvi-ously greater than that on dolomite,which results in the de-pression of collophane. The adsorption results are consistent with flotation results.
文摘The vacuum ultraviolet absorption and emission spectra of rare-gas vander Waals molecules were observed.A large broadening of at least 240Åof Xe first resonance absorption line was obtained at cell presgure 4 atm.Strong continuous emission of heavier rare gases at 1300-3000Åwas obtained using self-triggered condensed discharge in aπ-shaped quartz discharge tube.
文摘Blood plays an important role in the clinical di-agnosis and treatment, the analysis of blood will be of very important practical significance. The experiment shows that the absorption spectra of blood are of serious noise in the wave band of 200 to 300 nm, which hides the useful spectral characteristics. The effective separation of the noise was achieved by db4 wavelet transform, and the signals of reconstruction have been obviously improved in the noise serious wave band, reflecting some useful information. The absorption peaks of different samples are displaced to some degrees. The correlation between absorbance at 278nm and blood fat concentration is no significant and random. Based on the evident correlation between serum absorption spectrum and blood fat con-centration in the wave band of 265 to 282nm, a neural network model was built to forecast the blood fat concentration, bringing a relatively good prediction. This provides a new spectral test method of blood fat concentration.
基金Funded by the Natural Science Foundation of Hubei Province(No.2014CFB563)the key Technology Innovation Project of Hubei Province(No.2013AAA005)China Postdoctoral Science Foundation(Nos.2013T60752 and 2012M511689)
文摘New visible transparent, UV absorption, and high infrared reflection properties have been realized by depositing multilayer Si O2/Zn O: Al/Ce O2-Ti O2/Si O2 films onto glass substrates at low temperature by radio frequency magnetron sputtering. Optimum thickness of Si O2, Zn O: Al(ZAO) and Ce O2-Ti O2(CTO) films were designed with the aid of thin film design software. The degree of antireflection can be controlled by adjusting the thickness and refractive index. The outer Si O2 film can diminish the interference coloring and increase the transparency; the inner Si O2 film improves the adhesion of the coating on the glass substrate and prevents Ca2+, Na+ in the glass substrate from entering the ZAO film. The average transmittance in the visible light range increases by nearly 18%-20%, as compared to double layer ZAO/CTO films. And the films display high infrared reflection rate of above 75% in the wavelength range of 10-25 μm and good UV absorption(> 98%) properties. These systems are easy to produce on a large scale at low cost and exhibit high mechanical and chemical durability. The triple functional films with high UV absorption, antireflective and high infrared reflection rate will adapt to application in flat panel display and architectural coating glass, automotive glass, with diminishing light pollution as well as decreasing eye fatigue and increasing comfort.
基金Chinese N ational Science Fund for Distinguished Young Scholars ( No.5 972 5 6 17) the National Natural Science Foun-dation of China ( No.5 980 6 0 0 3) and F ok Ying Tung Education Foundation ( No.710 5 3)
文摘As a reentry vehicle traveling through atmosphere with a very high Mach number, the ultraviolet, visible light and infrared signatures, produced from its head shock-wave layer and wake, are the foundation of detecting and identifying for the ground monitoring and the antimissile controlling and guiding system. At the same time, the gas layer radiation is also an important source of heating flux to the wall. The absorption coefficients of high temperature gas in the head shock-wave layer are basic parameters for calculations of the target ultraviolet, visible light and infrared optical characteristics, the heat shield and the aerodynamic flow-field coupling with thermal radiation. In this paper, after the thermo-chemical non-equilibrium phenomenon of hypersonic rarefied flow during reentry stage is discussed, a three-temperature model (electronic temperature Te, vibrational temperature TV and rotational-transitional temperature TR) is used to characterize energy levels population of non-equilibrium air species in the shock-wave layer and the contribution of 11-species such as N2, N2+, N, N+, O2, O2+, O, O+, NO, NO+ and e- is directly calculated by using the atomic and molecular radiation theory. At last, a model is established, which calculates the absorption coefficient of high-temperature equilibrium or non-equilibrium air. The results are in good agreement with experimentally measured data in the visible region, but are slightly bad in the ultraviolet and infrared regions.
基金This work was supported by the National Natu- ral Science Foundation of China (No.20533070 and No.20603033), the National Key Basic Research Special Foundation (No.2007CB815204), and the Natural Science Foundation of Anhui Province, China (No.070415214). The authors also thank Prof. D. Gauyacq for providing their experimental data pub- lished in Ref.[23].
文摘The absorption spectra of acetylene molecules was measured under jet-cooled conditions in the wavelength range of 142.8-152.3 nm, with a tunable and highly resolved vacuum ultraviolet (VUV) laser generated by two-photon resonant four wave difference frequency mixing processes. Due to the sufficient vibrational and rotational cooling effect of the molecular beam and the higher resolution VUV laser, the observed absorption spectra exhibit more distinct spectral features than the previous works measured at room temperature. The major three vibrational bands are assigned as a C-C symmetry stretching vibrational progress (v2=0.2) of the C^1Πu state of acetylene. The observed shoulder peak at 148,2 nm is assigned to the first overtone band of the trans-bending mode V4 of the C^1Πu state of acetylene. Additionally, the two components, 4^20(μ^1Π) and 4^20(k^1Πu), are suggested to exhibit in the present absorption spectra, due to their Renner-Teller effect and transition selection rule. All band origins and bandwidths are obtained subsequently, and it is found that bandwidths are broadened and lifetimes decrease gradually with the excitation of vibration.
文摘The demand and pursuit of chemical entities with UV filtration and antioxidant properties for enhanced photoprotection have been driven in recent times by acute exposure of humans to solar ultraviolet radiations. The structural, electronic, antioxidant and UV absorption properties of drometrizole (PBT) and designed ortho-substituted derivatives are reported via DFT and TD-DFT in the gas and aqueous phases. DFT and TD-DFT computations were performed at the M062x-D3Zero/6-311++G(d,p)//B97-3c and PBE0-D3(BJ)/def2-TZVP levels of theory respectively. Reaction enthalpies related to hydrogen atom transfer (HAT), single-electron transfer followed by proton transfer (SET-PT), and sequential proton loss electron transfer (SPLET) mechanisms were computed and compared with those of phenol. Results show that the presence of -NH2 substituent reduces the O-H bond dissociation enthalpy and ionization potential, while that of -CN increases the proton affinity. The HAT and SPLET mechanisms are the most plausible in the gas and aqueous phases respectively. The molecule with the -NH2 substituent (PBT1) was identified to be the compound with the highest antioxidant activity. The UV spectra of the studied compounds are characterized by two bands in the 280 - 400 nm regions. Results from this study provide a better comprehension antioxidant mechanism of drometrizole and present a new perspective for the design of electron-donor antioxidant molecules with enhanced antioxidant-photoprotective efficiencies for applications in commercial sunscreens.
文摘In this paper,an absorption spectroscopy measurement method was applied on two atmospheric pressure plasma sources to determine their production of nitric oxide.The concentrations are essential for evaluating the plasma sources based on the principle of the Dielectric Barrier Discharge(DBD)for applications in plasma medicine.The described method is based on a setup with an electrodeless discharge lamp filled with a mixture of oxygen and nitrogen.One of the emitted wavelengths is an important resonance wavelength of nitric oxide(λ = 226.2 nm).By comparing the absorption behaviour at the minimum and maximum of the spectral absorption cross section of nitric oxide around that wavelength,and measuring the change in intensity by the absorbing plasma,the concentration of nitric oxide inside the plasma can be calculated.The produced nitric oxide concentrations depend on the pulse duration and are in the range of 180 ppm to 1400 ppm,so that a distance of about 10 cm to the respiratory tract is enough to conform to the VDI Guideline 2310.
文摘Ultraviolet (UV) aging is one of the main factors which cause premature damage of asphalt pavements in the Tibetan Plateau, China. According to the measured levels of UV radiation, aging tests of styrene-butadiene rubber (SBR) asphalts with different contents of three anti-UV-aging agents including nano-TiO2, CeO2 and carbon black are performed. Common indices, which include retained penetration after thin film oven tests (TFOT) and softening point, and strategic highway research program (SHRP) indices of aged asphalts are evaluated. Infrared absorption spectral analysis is performed on asphalt specimens with 0. 8% carbon black which have been aged for different aging times (500, 1000 and 1 500 h). By grey incidence analysis, the optimal contents of anti-UV-aging agents are determined. The results show that TiO2 and CeO2 are not only good UV absorbing or shielding agents, but also strong oxidants. Carbon black is a good anti-UV-aging agent, and its optimal content is about 0. 8% of asphalt weight. UV aging of asphalt mainly occurs in the early stages of aging. The longer the aging time, the more severe the aging of asphalt.