Based on the density functional theory(DFT) calculations,we showed that the interactions between different valence anions(PO_(4)^(3-),CH_(3)PO_(4)^(2-),(CH_(3))_(2)PO_(4)^(-)) and graphene significantly increased as t...Based on the density functional theory(DFT) calculations,we showed that the interactions between different valence anions(PO_(4)^(3-),CH_(3)PO_(4)^(2-),(CH_(3))_(2)PO_(4)^(-)) and graphene significantly increased as the valence of anion increased from negative monovalence to negative trivalence.The adsorption energy of(CH_(3))_(2)PO_(4)^(-)on the electron-rich graphene flake(C84H24)is-8.3 kcal/mol.The adsorption energy of CH_(3)PO_(4)^(2-) on the electron-rich graphene flake(C_(84)H_(24)) is-48.0 kcal/mol,which is about six times that of(CH_(3))_(2)PO_(4) adsorption on electron-rich graphene flake(C_(84)H_(24)) and is even much larger than that of CO_(3)^(2-) adsorption on electron-deficient aromatic ring C_(6)F_(6)(-28.4 kcal/mol).The adsorption energy of PO_(4)^(3-)on the electron-rich graphene flake(C_(84)H_(24)) is-159.2 kcal/mol,which is about 20 times that of(CH_(3))_(2)PO_(4) adsorption on the graphene flake(C_(84)H_(24)).The super-strong adsorption energy is mainly attributed to the orbital interactions between multivalent anions and graphene.This work provides new insights for understanding the interaction between multivalent anions and π-electron-rich carbon-based nanomaterials and is helpful for the design of graphene-based DNA biosensor.展开更多
Background:The concept of phase separation has been used to describe and interpret physicochemical phenomena in biological systems for decades.Many intracellular macromolecules undergo phase separation,where it plays ...Background:The concept of phase separation has been used to describe and interpret physicochemical phenomena in biological systems for decades.Many intracellular macromolecules undergo phase separation,where it plays important roles in gene regulation,cellular signaling,metabolic reactions and so on,due to its unique dynamic properties and biological effects.As the noticeable importance of phase separation,pioneer researchers have explored the possibility to introduce the synthetically engineered phase separation for applicable cell function.Results:In this article,we illustrated the application value of phase separation in synthetic biology.We described main states of phase separation in detail,summarized some ways to implement synthetic condensates and several methods to regulate phase separation,and provided a substantial amount of identical examples to illuminate the applications and perspectives of phase separation in synthetic biology.Conclusions:Multivalent interactions implement phase separation in synthetic biology.Small molecules,light control and spontaneous interactions induce and regulate phase separation.The synthetic condensates are widely used in signal amplifications,designer orthogonally non-membrane-bound organelles,metabolic pathways,gene regulations,signaling transductions and controllable platforms.Studies on quantitative analysis,more standardized modules and precise spatiotemporal control of synthetic phase separation may promote the further development of this field.展开更多
基金Project supported by the National Natural Science Foundation of China for Outstanding Young Scholars(Grant No.11722548)the China Postdoctoral Science Foundation(Grant No.2019M651462)+4 种基金the National Natural Science Foundation of China(Grant No.U1932123)the Innovative Research Team of High-Level Local Universities in Shanghaithe Open Project of State Key Laboratory of Advanced Special Steel,Shanghai Key Laboratory of Advanced Ferrometallurgy and the Science and Technology Commission of Shanghai Municipality(Gant No.19DZ2270200)the Deepcomp7000 and Sc Grid of Supercomputing Center,Computer Network Information Center of the Chinese Academy of Sciences,the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund(second phase)the Shanghai Supercomputer Center of China,the High Performance Computing Platform of Shanghai University。
文摘Based on the density functional theory(DFT) calculations,we showed that the interactions between different valence anions(PO_(4)^(3-),CH_(3)PO_(4)^(2-),(CH_(3))_(2)PO_(4)^(-)) and graphene significantly increased as the valence of anion increased from negative monovalence to negative trivalence.The adsorption energy of(CH_(3))_(2)PO_(4)^(-)on the electron-rich graphene flake(C84H24)is-8.3 kcal/mol.The adsorption energy of CH_(3)PO_(4)^(2-) on the electron-rich graphene flake(C_(84)H_(24)) is-48.0 kcal/mol,which is about six times that of(CH_(3))_(2)PO_(4) adsorption on electron-rich graphene flake(C_(84)H_(24)) and is even much larger than that of CO_(3)^(2-) adsorption on electron-deficient aromatic ring C_(6)F_(6)(-28.4 kcal/mol).The adsorption energy of PO_(4)^(3-)on the electron-rich graphene flake(C_(84)H_(24)) is-159.2 kcal/mol,which is about 20 times that of(CH_(3))_(2)PO_(4) adsorption on the graphene flake(C_(84)H_(24)).The super-strong adsorption energy is mainly attributed to the orbital interactions between multivalent anions and graphene.This work provides new insights for understanding the interaction between multivalent anions and π-electron-rich carbon-based nanomaterials and is helpful for the design of graphene-based DNA biosensor.
基金supported by the National Key Basic Research Program of China 2018YFA0902800(P.W.)the National Natural Science Foundation of China 31470819(P.W.)31622022(P.W.).
文摘Background:The concept of phase separation has been used to describe and interpret physicochemical phenomena in biological systems for decades.Many intracellular macromolecules undergo phase separation,where it plays important roles in gene regulation,cellular signaling,metabolic reactions and so on,due to its unique dynamic properties and biological effects.As the noticeable importance of phase separation,pioneer researchers have explored the possibility to introduce the synthetically engineered phase separation for applicable cell function.Results:In this article,we illustrated the application value of phase separation in synthetic biology.We described main states of phase separation in detail,summarized some ways to implement synthetic condensates and several methods to regulate phase separation,and provided a substantial amount of identical examples to illuminate the applications and perspectives of phase separation in synthetic biology.Conclusions:Multivalent interactions implement phase separation in synthetic biology.Small molecules,light control and spontaneous interactions induce and regulate phase separation.The synthetic condensates are widely used in signal amplifications,designer orthogonally non-membrane-bound organelles,metabolic pathways,gene regulations,signaling transductions and controllable platforms.Studies on quantitative analysis,more standardized modules and precise spatiotemporal control of synthetic phase separation may promote the further development of this field.
