Auto-regressive （AR） spectral estimation technology is proposed to analyze the Brillouin scattering spectrum in Brillouin optical time-domain refelectometry. It shows that AR based method can reliably estimate the B...Auto-regressive （AR） spectral estimation technology is proposed to analyze the Brillouin scattering spectrum in Brillouin optical time-domain refelectometry. It shows that AR based method can reliably estimate the Brillouin frequency shift with an accuracy much better than fast Fourier transform （FFT） based methods provided the data length is not too short. It enables about 3 times improvement over FFT at a moderate spatial resolution.展开更多
Ion–πinteractions play a critical role in many important biological processes,such as gene expression,nicotine addiction,ion channel function,and so on,through recognizing specific ions by the receptors.However,wide...Ion–πinteractions play a critical role in many important biological processes,such as gene expression,nicotine addiction,ion channel function,and so on,through recognizing specific ions by the receptors.However,widely used models,such as electrostatic potential and quadrupole moment,either treat ions as point charges or consider arenes only such that the key role of the information carried by ions is rarely discussed.Here,we shed light on the ion specificities in ion–πinteractions by correlating binding energies to a new model,namely the orbital electrostatic energy(OEE),which describes the electrostatic properties of both ions and theπsystems in detail via electron density distributions on orbitals.With this more detailed descriptor of electrostatics,new insights behind several important experimental and theoretical behaviors of ion–πinteractions are revealed,which will provide a deeper understanding of molecular recognition and communication through ion–πinteractions.On top of the OEE model,an ion-specific design strategy is proposed.展开更多
基金This work was supported by the National Natural Science Foundation of China （Grant Nos. 11474133 and 61235005） and Science and Technology Program of Guangzhou （No. 201707010338）.
文摘Auto-regressive （AR） spectral estimation technology is proposed to analyze the Brillouin scattering spectrum in Brillouin optical time-domain refelectometry. It shows that AR based method can reliably estimate the Brillouin frequency shift with an accuracy much better than fast Fourier transform （FFT） based methods provided the data length is not too short. It enables about 3 times improvement over FFT at a moderate spatial resolution.
基金supported by the National Natural Science Foundation of China(21688102 and 91427301)the Science Challenge Project(TZ2018004)the China Postdoctoral Science Foundation(2019M651341).
文摘Ion–πinteractions play a critical role in many important biological processes,such as gene expression,nicotine addiction,ion channel function,and so on,through recognizing specific ions by the receptors.However,widely used models,such as electrostatic potential and quadrupole moment,either treat ions as point charges or consider arenes only such that the key role of the information carried by ions is rarely discussed.Here,we shed light on the ion specificities in ion–πinteractions by correlating binding energies to a new model,namely the orbital electrostatic energy(OEE),which describes the electrostatic properties of both ions and theπsystems in detail via electron density distributions on orbitals.With this more detailed descriptor of electrostatics,new insights behind several important experimental and theoretical behaviors of ion–πinteractions are revealed,which will provide a deeper understanding of molecular recognition and communication through ion–πinteractions.On top of the OEE model,an ion-specific design strategy is proposed.
