Theoretical studies on the electronic and geometric structures, the trend in DNA-binding affinities as well as the the structure-activity relationship （SAR） of a series of water-soluble Ru（II） methylimidazole comp...Theoretical studies on the electronic and geometric structures, the trend in DNA-binding affinities as well as the the structure-activity relationship （SAR） of a series of water-soluble Ru（II） methylimidazole complexes, i.e. [Ru（Mehn）4iip]^2＋ （1） （MeIm=l-methylimidazole, iip=2-（1H-imidazo-4-group）-lH-imidazo[n,5-f][1,10]phenanthroline）, [Ru（MeIm）4tip]^2＋ （2） （tip=2-（thiophene-2-group）-lH-imidazo[4,5-f] [i,10]phenanthroline）, and [Ru（Melm）42ntz]^2＋ （3） （2ntz=2-（2-nitro-l,3-thiazole-5-group）-lH-imidazo[4,5-f][1,10]phenanthroline）, were car- ried out using the density functional theory （DFT）. The electronic structures of these Ru（II） complexes were analyzed on the basis of their geometric structures optimized in aqueous solution, and the trend in the DNA-binding constants （Kb） was reasonably explained. The results show that the replacement of imidazole ligand by thiophene ligand can effectively improve the DNA-binding affinity of the complex. Meanwhile, it was found that introduc- ing the stronger electronegative N atom and NO2 group on terminal loop of intercalative ligand can obviously reduce the complex＇s LUMO and HOMO-LUMO gap energies. Based on these findings, the designed complex [Ru（MeIm）42ntz]^2＋ （3） can be expected to have the greatest Kb value in complexes 1-3. In addition, the structure-activity relationships and antitumor mechanism were also carefully discussed, and the antimetastatic activity of the designed complex 3 was predicted. Finally, the electronic absorption spectra of this series of complexes in aqueous solution were calculated, simulated and assigned using DFT/TDDFT methods as well as conductor-like polarizable continuum model （CPCM）, and were in good agreement with the experimental results.展开更多
45 and 50 composite soil samples were collected, respectively, from twoagricultural fields, that were enclosed and reclaimed from coastal tidal-flat areas in 1996 and 1984respectively, in Shangyu of Zhejiang Province,...45 and 50 composite soil samples were collected, respectively, from twoagricultural fields, that were enclosed and reclaimed from coastal tidal-flat areas in 1996 and 1984respectively, in Shangyu of Zhejiang Province, China, to investigate the physico-chemicalproperties and the hyperspectral characteristics of the saline soils and to make an assessment ontheir relationships. The reflectance spectra of saline soils were measured using a spectroradiometerin laboratory. The mean spectral curves of the saline soils from the two sites different inreclamation year showed that the saline soil taken from the recently reclaimed land with highersalinity demonstrated a lower reflectance intensity in the spectral region from about 550 nm to 2300nm. In addition, nine absorption bands, i.e., 488 nm, 530 nm, 670 nm, 880 nm, 940 nm, 1400 nm, 1900nm, 2 200 nm and 2 300 nm, were chosen as the spectral bands to investigate the relationshipsbetween soil physico-chemical properties by means of Pearson correlation analysis. Finally, thefirst two principal components were calculated from nine absorption bands and used to discriminatethe saline soil samples taken from two sampled fields. The results indicate that it is feasible todetect physico-chemical properties of saline soils from fields reclaimed for varying time periods onthe basis of the hyperspectral data.展开更多
Prostomates and haptorians are two basal groups of ciliates with limited morphological characteristics available for tax- onomy. Morphologically, the structures used to identify prostomates and haptorians are similar ...Prostomates and haptorians are two basal groups of ciliates with limited morphological characteristics available for tax- onomy. Morphologically, the structures used to identify prostomates and haptorians are similar or even identical, which generate heavy taxonomic and phylogenetic confusion. In present work, phylogenetic positions lineage of two rare genera, Plagiopogon and Askenasia, were investigated. Three genes including small subunit ribosomal RNA gene （hereafter SSU rDNA）, internal transcribed spacer region （ITS region）, and large subunit ribosomal RNA gene （LSU rDNA） were analyzed, 10 new sequences five species each. Our findings included 1） class Prostomatea and order Haptorida are multiphyletic; 2） it may not be appropriate to place order Cyclotriehiida in subclass Haptoria, and the systematic lineage of order Cyclotrichiida needs to be verified further; 3） genus Plagio- pogon branches consistently within a clade covering most prostomes and is basal of clade Colepidae, implying its close lineage to Prostomatea; and 4） Askenasia is phylogenetically distant from the subclass Haptoria but close to classes Prostomatea, Plagiopylea and Oligohymenophorea. We supposed that the toxicyst of Askenasia may be close to taxa of prostomes instead of haptorians, and the dorsal brush is a more typical morphological characteristics of haptorians than toxicysts.展开更多
The M_S6. 1 earthquake was a foreshock-mainshock-aftershock type which occurred in the boundary region between Zogang and Markam counties on August 12,2013. Within 9hours before the main shock seven earthquakes of gre...The M_S6. 1 earthquake was a foreshock-mainshock-aftershock type which occurred in the boundary region between Zogang and Markam counties on August 12,2013. Within 9hours before the main shock seven earthquakes of greater than M_L2. 0 occurred,with a maximum of M_L4. 7. In this paper,the earthquake focal mechanism changing process of the Zogang-Markam M_S6. 1 earthquake sequence is studied by calculating the correlation coefficient of body wave spectral amplitudes,and the result shows that the correlation coefficients of spectral amplitude of foreshocks present high value fluctuation with an average value of 0. 86,which shows that the focal mechanism of foreshocks are similar;and the correlation coefficients of spectral amplitude of aftershocks present low value,which shows that the possibility of a large earthquake is not high after a time.展开更多
We analyzed the infrared 0R）-near infrared （NIR） 2D correlation spectra of drugs perturbed by temperature. By identification of functional groups by IR spectrum and by the correlation analysis of IR-NIR spectrum, w...We analyzed the infrared 0R）-near infrared （NIR） 2D correlation spectra of drugs perturbed by temperature. By identification of functional groups by IR spectrum and by the correlation analysis of IR-NIR spectrum, we identified the characteristic spectral bands that were closely related to the structure of a drug substance of interest. These characteristic spectral bands were relatively less interfered by other ingredients for analysis by the NIR correlation coefficient method. With these characteristic spectral bands, the accuracy of screening illegally added Sildenafil citrate, Tadalafil and Metforrnin hydrochloride in Chinese patent drugs and healthcare products reached about 90%, which met the requirements of rapid screening.展开更多
Motor impairments in autism spectrum disorders(ASD) have received far less research attention than core social- communication and cognitive features. Yet, behavioral, neurophysiological, neuroimaging and histopatholog...Motor impairments in autism spectrum disorders(ASD) have received far less research attention than core social- communication and cognitive features. Yet, behavioral, neurophysiological, neuroimaging and histopathological studies have documented abnormal motor system development in the majority of individuals with ASD suggesting that these deficits may be primary to the disorder. There are several unique advantages to studying motor development in ASD. First, the neurophysiological substrates of motor skills have been well-characterized via animal and human lesion studies. Second, many of the single-gene disorders associated with ASD also are characterized by motor dysfunctions. Third, recent evidence suggests that the onset of motor dysfunctions may precede the emergence of social and communication deficits during the first year of life in ASD. Motor deficits documented in ASD indicate disruptions throughout the neuroaxis affecting cortex, striatum, the cerebellum and brainstem. Questions remain regarding the timing and development of motor system alterations in ASD, their association with defining clinical features, and their potential for parsing heterogeneity in ASD. Pursuing these questions through neurobiologically informed translational research holds great promise for identifying gene-brain pathways associated with ASD.展开更多
To implement the primary signal without interference in cognitive radio systems, cognitive radios can detect the presence of the primary user in low SNR. Currently, energy detector is the most common way of spectrum s...To implement the primary signal without interference in cognitive radio systems, cognitive radios can detect the presence of the primary user in low SNR. Currently, energy detector is the most common way of spectrum sensing because of its low computational complexity. However, performunce of the method will be possibly degraded due to the uncertainty noise. This paper illustrates the benefits of one-order and two-order cyclostationary properties of primary user＇s signals in time domain. These feature detection techniques in time domain possess the advantages of simple structure and low computational complexity comparing with spectral feature detection methods. Furthermore, performance of the one-order and two-order feature detection is studied and the analytical results are given. Our analysis and numerical results show that the sensing performance of the one-order feature detection is improved significantly comparing with conventional energy detector since it is robust to noise. Meanwhile, numerical results show that the two-order feature detection technique is better than the one-order feature detection. However, this benefit comes at the cost of hardware burdens and power consumption due to the additional multiplying algorithm.展开更多
基金ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China （No.20903027）, the Natural Science Foundation of Guangdong Province of China （No.9452402301001941）, the Medical Scientific Research Foundation of Guangdong Province of China （No.B2013297）, and the University Student in Guangdong Province Innovation and Entrepreneurship Train ing Program （No.1057112019 and No.1057112013）.
文摘Theoretical studies on the electronic and geometric structures, the trend in DNA-binding affinities as well as the the structure-activity relationship （SAR） of a series of water-soluble Ru（II） methylimidazole complexes, i.e. [Ru（Mehn）4iip]^2＋ （1） （MeIm=l-methylimidazole, iip=2-（1H-imidazo-4-group）-lH-imidazo[n,5-f][1,10]phenanthroline）, [Ru（MeIm）4tip]^2＋ （2） （tip=2-（thiophene-2-group）-lH-imidazo[4,5-f] [i,10]phenanthroline）, and [Ru（Melm）42ntz]^2＋ （3） （2ntz=2-（2-nitro-l,3-thiazole-5-group）-lH-imidazo[4,5-f][1,10]phenanthroline）, were car- ried out using the density functional theory （DFT）. The electronic structures of these Ru（II） complexes were analyzed on the basis of their geometric structures optimized in aqueous solution, and the trend in the DNA-binding constants （Kb） was reasonably explained. The results show that the replacement of imidazole ligand by thiophene ligand can effectively improve the DNA-binding affinity of the complex. Meanwhile, it was found that introduc- ing the stronger electronegative N atom and NO2 group on terminal loop of intercalative ligand can obviously reduce the complex＇s LUMO and HOMO-LUMO gap energies. Based on these findings, the designed complex [Ru（MeIm）42ntz]^2＋ （3） can be expected to have the greatest Kb value in complexes 1-3. In addition, the structure-activity relationships and antitumor mechanism were also carefully discussed, and the antimetastatic activity of the designed complex 3 was predicted. Finally, the electronic absorption spectra of this series of complexes in aqueous solution were calculated, simulated and assigned using DFT/TDDFT methods as well as conductor-like polarizable continuum model （CPCM）, and were in good agreement with the experimental results.
基金Project supported by the National Natural Foundation of China(No.40001008),by the German Federal Ministry of Education and Research (BMBF)(No.AZ39742),and by the Science and Technology Department of Zhejiang Province(No.001110445).
文摘45 and 50 composite soil samples were collected, respectively, from twoagricultural fields, that were enclosed and reclaimed from coastal tidal-flat areas in 1996 and 1984respectively, in Shangyu of Zhejiang Province, China, to investigate the physico-chemicalproperties and the hyperspectral characteristics of the saline soils and to make an assessment ontheir relationships. The reflectance spectra of saline soils were measured using a spectroradiometerin laboratory. The mean spectral curves of the saline soils from the two sites different inreclamation year showed that the saline soil taken from the recently reclaimed land with highersalinity demonstrated a lower reflectance intensity in the spectral region from about 550 nm to 2300nm. In addition, nine absorption bands, i.e., 488 nm, 530 nm, 670 nm, 880 nm, 940 nm, 1400 nm, 1900nm, 2 200 nm and 2 300 nm, were chosen as the spectral bands to investigate the relationshipsbetween soil physico-chemical properties by means of Pearson correlation analysis. Finally, thefirst two principal components were calculated from nine absorption bands and used to discriminatethe saline soil samples taken from two sampled fields. The results indicate that it is feasible todetect physico-chemical properties of saline soils from fields reclaimed for varying time periods onthe basis of the hyperspectral data.
基金supported by the National Natural Science Foundation of China(Nos.31222050,41376141,3112041,and 31471973)the international research projects from King Saud University(Nos.RGP-VPP-083,IRG14-22)
文摘Prostomates and haptorians are two basal groups of ciliates with limited morphological characteristics available for tax- onomy. Morphologically, the structures used to identify prostomates and haptorians are similar or even identical, which generate heavy taxonomic and phylogenetic confusion. In present work, phylogenetic positions lineage of two rare genera, Plagiopogon and Askenasia, were investigated. Three genes including small subunit ribosomal RNA gene （hereafter SSU rDNA）, internal transcribed spacer region （ITS region）, and large subunit ribosomal RNA gene （LSU rDNA） were analyzed, 10 new sequences five species each. Our findings included 1） class Prostomatea and order Haptorida are multiphyletic; 2） it may not be appropriate to place order Cyclotriehiida in subclass Haptoria, and the systematic lineage of order Cyclotrichiida needs to be verified further; 3） genus Plagio- pogon branches consistently within a clade covering most prostomes and is basal of clade Colepidae, implying its close lineage to Prostomatea; and 4） Askenasia is phylogenetically distant from the subclass Haptoria but close to classes Prostomatea, Plagiopylea and Oligohymenophorea. We supposed that the toxicyst of Askenasia may be close to taxa of prostomes instead of haptorians, and the dorsal brush is a more typical morphological characteristics of haptorians than toxicysts.
基金jointly sponsored by the Special Program of Earthquake Science and Technology of Earthquake Administration of Sichuan Province(LY1302) the National Key Technology R&D Program of China(2012BAK19802)
文摘The M_S6. 1 earthquake was a foreshock-mainshock-aftershock type which occurred in the boundary region between Zogang and Markam counties on August 12,2013. Within 9hours before the main shock seven earthquakes of greater than M_L2. 0 occurred,with a maximum of M_L4. 7. In this paper,the earthquake focal mechanism changing process of the Zogang-Markam M_S6. 1 earthquake sequence is studied by calculating the correlation coefficient of body wave spectral amplitudes,and the result shows that the correlation coefficients of spectral amplitude of foreshocks present high value fluctuation with an average value of 0. 86,which shows that the focal mechanism of foreshocks are similar;and the correlation coefficients of spectral amplitude of aftershocks present low value,which shows that the possibility of a large earthquake is not high after a time.
基金National Key Technology R & D Program-On-site Rapid Identification of Drug Research Project (Grant No. 2008BAI55B06)
文摘We analyzed the infrared 0R）-near infrared （NIR） 2D correlation spectra of drugs perturbed by temperature. By identification of functional groups by IR spectrum and by the correlation analysis of IR-NIR spectrum, we identified the characteristic spectral bands that were closely related to the structure of a drug substance of interest. These characteristic spectral bands were relatively less interfered by other ingredients for analysis by the NIR correlation coefficient method. With these characteristic spectral bands, the accuracy of screening illegally added Sildenafil citrate, Tadalafil and Metforrnin hydrochloride in Chinese patent drugs and healthcare products reached about 90%, which met the requirements of rapid screening.
基金supported by the National Institute of Child Health and Human Development Collaborative Program of Excellence in Autism(Grant No.HD35469)the National Institute of Mental Health Autism Center of Excellence(Grant No.P50HD055751)the National Alliance for Autism Research,and Autism Speaks Grant 4853
文摘Motor impairments in autism spectrum disorders(ASD) have received far less research attention than core social- communication and cognitive features. Yet, behavioral, neurophysiological, neuroimaging and histopathological studies have documented abnormal motor system development in the majority of individuals with ASD suggesting that these deficits may be primary to the disorder. There are several unique advantages to studying motor development in ASD. First, the neurophysiological substrates of motor skills have been well-characterized via animal and human lesion studies. Second, many of the single-gene disorders associated with ASD also are characterized by motor dysfunctions. Third, recent evidence suggests that the onset of motor dysfunctions may precede the emergence of social and communication deficits during the first year of life in ASD. Motor deficits documented in ASD indicate disruptions throughout the neuroaxis affecting cortex, striatum, the cerebellum and brainstem. Questions remain regarding the timing and development of motor system alterations in ASD, their association with defining clinical features, and their potential for parsing heterogeneity in ASD. Pursuing these questions through neurobiologically informed translational research holds great promise for identifying gene-brain pathways associated with ASD.
基金the National Natural Science Foundation of China (No. 60972039)the National High Technology Research and Development Program (863) of China (No. 2009AA01Z241)+1 种基金the Key Project of Nature Science Foundation of Jiangsu Province(No. BK2007729)the National Postdoctoral Research Program (No. 20090451239)
文摘To implement the primary signal without interference in cognitive radio systems, cognitive radios can detect the presence of the primary user in low SNR. Currently, energy detector is the most common way of spectrum sensing because of its low computational complexity. However, performunce of the method will be possibly degraded due to the uncertainty noise. This paper illustrates the benefits of one-order and two-order cyclostationary properties of primary user＇s signals in time domain. These feature detection techniques in time domain possess the advantages of simple structure and low computational complexity comparing with spectral feature detection methods. Furthermore, performance of the one-order and two-order feature detection is studied and the analytical results are given. Our analysis and numerical results show that the sensing performance of the one-order feature detection is improved significantly comparing with conventional energy detector since it is robust to noise. Meanwhile, numerical results show that the two-order feature detection technique is better than the one-order feature detection. However, this benefit comes at the cost of hardware burdens and power consumption due to the additional multiplying algorithm.
