Changes of molecular structure and associated charge distributions, and changes of anharmonic vibrational parameters from DNA base monomers to the Watson-Crick base pairs, have been investigated at the density functio...Changes of molecular structure and associated charge distributions, and changes of anharmonic vibrational parameters from DNA base monomers to the Watson-Crick base pairs, have been investigated at the density functional theory level. Through examination of the NH2, N H, and C=O stretching vibrational modes that are involved in the multiple H-bonds in the base pairs, sensitivity of their diagonal and off-diagonal anharmonicities, as well as anharmonic vibrational couplings, to the structure change are predicted. Our results reveal the intrinsic connection between the anharmonic vibrational potentials, H-bonding, and electrostatic interactions in DNA bases.展开更多
This paper proposes a general systems theory for fractals visualising the emergence of successively larger scale fluctuations resulting from the space-time integration of enclosed smaller scale fluctuations. Global gr...This paper proposes a general systems theory for fractals visualising the emergence of successively larger scale fluctuations resulting from the space-time integration of enclosed smaller scale fluctuations. Global gridded time series data sets of monthly mean temperatures for the period 1880- 2007/2008 are analysed to show that data sets and corresponding power spectra exhibit distributions close to the model predicted inverse power law distribution. The model predicted and observed universal spectrum for interannual variability rules out linear secular trends in global monthly mean temperatures. Global warming results in intensification of fluctuations of all scales and manifested immediately in high frequency fluctuations.展开更多
基金V. ACKNOWLEDGMENT This work was supported by the National Natural Science Foundation of China （No.20773136 and No.30870591）, the National High-Tech Research and Development Program of China （No.2007AA02Z139）, and the Hundred Talent Fund of the Chinese Academy of Sciences.
文摘Changes of molecular structure and associated charge distributions, and changes of anharmonic vibrational parameters from DNA base monomers to the Watson-Crick base pairs, have been investigated at the density functional theory level. Through examination of the NH2, N H, and C=O stretching vibrational modes that are involved in the multiple H-bonds in the base pairs, sensitivity of their diagonal and off-diagonal anharmonicities, as well as anharmonic vibrational couplings, to the structure change are predicted. Our results reveal the intrinsic connection between the anharmonic vibrational potentials, H-bonding, and electrostatic interactions in DNA bases.
文摘This paper proposes a general systems theory for fractals visualising the emergence of successively larger scale fluctuations resulting from the space-time integration of enclosed smaller scale fluctuations. Global gridded time series data sets of monthly mean temperatures for the period 1880- 2007/2008 are analysed to show that data sets and corresponding power spectra exhibit distributions close to the model predicted inverse power law distribution. The model predicted and observed universal spectrum for interannual variability rules out linear secular trends in global monthly mean temperatures. Global warming results in intensification of fluctuations of all scales and manifested immediately in high frequency fluctuations.
