Geometry optimization of p-C_(6)H_(4)-connected cyclo[20]carbon(p-C_(6)H_(4)-C_(20))was carried out at M062X/6-311G(d,p)level,three kinds of bond orders(Mayer,Laplacian,and Wiberg),electron-hole distributions,localize...Geometry optimization of p-C_(6)H_(4)-connected cyclo[20]carbon(p-C_(6)H_(4)-C_(20))was carried out at M062X/6-311G(d,p)level,three kinds of bond orders(Mayer,Laplacian,and Wiberg),electron-hole distributions,localized orbital locators(LOL),and infrared(IR)spectrum were also performed at the same level.Based on TD-DFT M062X/6-311G(d,p)method,the first 20 excited states and ultraviolet(UV)spectra of p-C_(6)H_(4)-C_(20) were calculated.Calculation results of π-electron delocalization analyses prove thatπ-electron delocalization of p-C_(6)H_(4)-C_(20) is more likely to occur on shorter C-C bonds rather than longer C-C bonds,and inside/outside of the ring plane rather than above/below the ring plane.Two absorption peaks of p-C_(6)H_(4)-C_(20) locate at about 319 nm and 236 nm,respectively.展开更多
Two strains H2-410 and H2-419 were obtained from the chemically mutated survivors of wild Haematococcus pluvialis 2 by using ethyl methanesulphonate (EMS). Strains H2-410 and H2-419 showed a fast cell growth with 13% ...Two strains H2-410 and H2-419 were obtained from the chemically mutated survivors of wild Haematococcus pluvialis 2 by using ethyl methanesulphonate (EMS). Strains H2-410 and H2-419 showed a fast cell growth with 13% and 20% increase in biomass compared to wild type, respectively. Then H2-419-4, a fast cell growth and high astaxanthin accumulation strain, was obtained by exposing the strain H2-419 to ultraviolet radiation (UV) further. The total biomass, the astaxanthin content per cell, astaxanthin production of H2-419-4 showed 68%, 28%, and 120% increase compared to wild H. pluvialis 2, respectively. HPLC (High Performance Liquid Chromatography) data showed also an obvious proportional variation of different carotenoid compositions in the extracts of H2-419-4 and the wild type, although no peak of carotenoids appeared or disappeared. Therefore, the main compositions in strain H2-419-4, like its wild one, were free of astaxanthin, monoester, and diester of astaxanthin. The asexual reproduction in survivors after exposed to UV was not synchronous, and different from the normal synchronous asexual reproduction as the mother cells were motile instead of non-motile. Interestingly, some survivors from UV irradiation produced many mini-spores (or gamete?), the spores moved away from the mother cell gradually 4 or 5 days later. This is quite similar to sexual reproduction described by Elliot in 1934. However, whether this was sexual reproduction remains questionable, as no mating process has been observed.展开更多
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
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
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
As a new method,the ultraviolet spectrum technique is applied to studying the connectivity of biodegradable heavy oil reservoirs.The similarity of crude oils can be judged according to the extinction coefficient(E) be...As a new method,the ultraviolet spectrum technique is applied to studying the connectivity of biodegradable heavy oil reservoirs.The similarity of crude oils can be judged according to the extinction coefficient(E) because aromatic hydrocarbons and non-hydrocarbons have conjugated bonds and obvious absorption in the ultraviolet range,and different materials have different characteristics and additives.The relationship diagram is made in terms of the extinction coefficients(E) of the samples by taking E as the Y-axis and wavelength as the X-axis.The connectivity of oil reservoirs is estimated according to the curve positions and characteristic fingerprints of the samples.The connectivity of part of the reservoirs in the western part of the QHD32-6 oilfield was studied with this method.The results showed that the connectivity of samples from wells F7 and F8 in the Nm-2 oil reservoir zone is good,that of samples from wells F17 and F20 in the Nm-1 oil reservoir zone also is good,and that of samples from wells F17,F19,and F20 is poor.展开更多
Based on the established mathematic model and graphic interpretation, a new method, which is used to calculate the contribution of single-zone production in a commingled producing well by the ultraviolet spectrum tech...Based on the established mathematic model and graphic interpretation, a new method, which is used to calculate the contribution of single-zone production in a commingled producing well by the ultraviolet spectrum technique, has been established. The standard plate was drawn using the extinction coefficient E of sample oils formulated artificially as y-axis and the wavelength as x-axis. The curve resulting from the UV analysis of sample oils in the commingled well was inserted into the standard plate and compared. The proportion of each single zone in the commingled producing well was identical with the proportion of the curve which is closest to the curve of sample oils formulated artificially. In the well QHD32-6-3 field, taking well A22 for example and using this method, the production contribution of a single zone was calculated. The result showed that the Nm4 zone is a major "contributor", the proportion of the Nm4 zone is 70%, and that of the Nm1 zone is 30%. The ultraviolet spectrum technique provided a new reservoir geochemical technique of monitoring production contribution, especially for biodegraded heavy oil, but it has some limitation, just depending on the GC fingerprint technique.展开更多
基于密度泛函理论(Density functional theory,DFT),M06-2X/6-311G(d,p)基组水平下对加替沙星分子的初始结构进行优化.计算其振动频率,采用VEDA4软件基于势能分布(Potential energy distribution,PED)计算结果对特征振动模式进行了归属...基于密度泛函理论(Density functional theory,DFT),M06-2X/6-311G(d,p)基组水平下对加替沙星分子的初始结构进行优化.计算其振动频率,采用VEDA4软件基于势能分布(Potential energy distribution,PED)计算结果对特征振动模式进行了归属指认,并和实验光谱进行了对比.绘制了分子表面静电势,分析分子可能发生亲电和亲核反应的位点.利用含时密度泛函理论(Time-dependent density functional theory,TDDFT)计算了加替沙星分子的激发态,讨论了加替沙星分子内的电子跃迁.该研究为分析加替沙星的光谱和电子结构提供了理论基础.展开更多
文摘Geometry optimization of p-C_(6)H_(4)-connected cyclo[20]carbon(p-C_(6)H_(4)-C_(20))was carried out at M062X/6-311G(d,p)level,three kinds of bond orders(Mayer,Laplacian,and Wiberg),electron-hole distributions,localized orbital locators(LOL),and infrared(IR)spectrum were also performed at the same level.Based on TD-DFT M062X/6-311G(d,p)method,the first 20 excited states and ultraviolet(UV)spectra of p-C_(6)H_(4)-C_(20) were calculated.Calculation results of π-electron delocalization analyses prove thatπ-electron delocalization of p-C_(6)H_(4)-C_(20) is more likely to occur on shorter C-C bonds rather than longer C-C bonds,and inside/outside of the ring plane rather than above/below the ring plane.Two absorption peaks of p-C_(6)H_(4)-C_(20) locate at about 319 nm and 236 nm,respectively.
基金the Innovation Program of the Institute of Oceanology,CAS (No.L86032523)the Project of Ministry of Sciences and Technology of China (No.02EFN216601213)
文摘Two strains H2-410 and H2-419 were obtained from the chemically mutated survivors of wild Haematococcus pluvialis 2 by using ethyl methanesulphonate (EMS). Strains H2-410 and H2-419 showed a fast cell growth with 13% and 20% increase in biomass compared to wild type, respectively. Then H2-419-4, a fast cell growth and high astaxanthin accumulation strain, was obtained by exposing the strain H2-419 to ultraviolet radiation (UV) further. The total biomass, the astaxanthin content per cell, astaxanthin production of H2-419-4 showed 68%, 28%, and 120% increase compared to wild H. pluvialis 2, respectively. HPLC (High Performance Liquid Chromatography) data showed also an obvious proportional variation of different carotenoid compositions in the extracts of H2-419-4 and the wild type, although no peak of carotenoids appeared or disappeared. Therefore, the main compositions in strain H2-419-4, like its wild one, were free of astaxanthin, monoester, and diester of astaxanthin. The asexual reproduction in survivors after exposed to UV was not synchronous, and different from the normal synchronous asexual reproduction as the mother cells were motile instead of non-motile. Interestingly, some survivors from UV irradiation produced many mini-spores (or gamete?), the spores moved away from the mother cell gradually 4 or 5 days later. This is quite similar to sexual reproduction described by Elliot in 1934. However, whether this was sexual reproduction remains questionable, as no mating process has been observed.
文摘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.
基金supported by the National Natural Science Foundation of China(21172161)
文摘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.
基金Supported by a grant from the Education Office of Henan Province in China (No.12A140013)
文摘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.
文摘As a new method,the ultraviolet spectrum technique is applied to studying the connectivity of biodegradable heavy oil reservoirs.The similarity of crude oils can be judged according to the extinction coefficient(E) because aromatic hydrocarbons and non-hydrocarbons have conjugated bonds and obvious absorption in the ultraviolet range,and different materials have different characteristics and additives.The relationship diagram is made in terms of the extinction coefficients(E) of the samples by taking E as the Y-axis and wavelength as the X-axis.The connectivity of oil reservoirs is estimated according to the curve positions and characteristic fingerprints of the samples.The connectivity of part of the reservoirs in the western part of the QHD32-6 oilfield was studied with this method.The results showed that the connectivity of samples from wells F7 and F8 in the Nm-2 oil reservoir zone is good,that of samples from wells F17 and F20 in the Nm-1 oil reservoir zone also is good,and that of samples from wells F17,F19,and F20 is poor.
文摘Based on the established mathematic model and graphic interpretation, a new method, which is used to calculate the contribution of single-zone production in a commingled producing well by the ultraviolet spectrum technique, has been established. The standard plate was drawn using the extinction coefficient E of sample oils formulated artificially as y-axis and the wavelength as x-axis. The curve resulting from the UV analysis of sample oils in the commingled well was inserted into the standard plate and compared. The proportion of each single zone in the commingled producing well was identical with the proportion of the curve which is closest to the curve of sample oils formulated artificially. In the well QHD32-6-3 field, taking well A22 for example and using this method, the production contribution of a single zone was calculated. The result showed that the Nm4 zone is a major "contributor", the proportion of the Nm4 zone is 70%, and that of the Nm1 zone is 30%. The ultraviolet spectrum technique provided a new reservoir geochemical technique of monitoring production contribution, especially for biodegraded heavy oil, but it has some limitation, just depending on the GC fingerprint technique.
文摘基于密度泛函理论(Density functional theory,DFT),M06-2X/6-311G(d,p)基组水平下对加替沙星分子的初始结构进行优化.计算其振动频率,采用VEDA4软件基于势能分布(Potential energy distribution,PED)计算结果对特征振动模式进行了归属指认,并和实验光谱进行了对比.绘制了分子表面静电势,分析分子可能发生亲电和亲核反应的位点.利用含时密度泛函理论(Time-dependent density functional theory,TDDFT)计算了加替沙星分子的激发态,讨论了加替沙星分子内的电子跃迁.该研究为分析加替沙星的光谱和电子结构提供了理论基础.
