In this study,we proposed a novel method that integrates density functional theory(DFT)with the finite field method to accurately estimate the polarizability and dielectric constant of polymers.Our approach effectivel...In this study,we proposed a novel method that integrates density functional theory(DFT)with the finite field method to accurately estimate the polarizability and dielectric constant of polymers.Our approach effectively accounts for the influence of electronic and geometric conformation changed on the dielectric constant.We validated our method using polyethylene(PE)and polytetrafluoroethylene(PTFE)as benchmark materials,and found that it reliably predicted their dielectric constants.Furthermore,we explored the impact of conformation variations in poly(vinylidene fluoride)(PVDF)on its dielectric constant and polarizability.The resulting dielectric constants ofα-andγ-PVDF(3.0)showed excellent agreement with crystalline PVDF in experiments.Our findings illuminate the relationship between PVDF’s structural properties and its electrical behavior,offering valuable insights for material design and applications.展开更多
The origin of superconductivity observed at the point contact between the normal metal tip and the topological material remains uncertain due to the potential presence of superconducting elements or allotropes impurit...The origin of superconductivity observed at the point contact between the normal metal tip and the topological material remains uncertain due to the potential presence of superconducting elements or allotropes impurities.It is imperative to seek out a topological material entirely free of superconducting impurities and induce superconductivity between it and normal tips to verify the source of the induced superconductivity.Here,we report the observation of superconductivity up to 9 K induced at point contacts between normal metal tips and the topological material grey arsenic,which is free of superconductivity.The determined temperature dependencies of superconducting gapsΔ(T)deviate from the Bardeen-Cooper-Schriefer(BCS)superconductivity law,exhibiting abnormal behavior.Furthermore,the highly anisotropic upper critical field H_(c2)(T)suggests the anisotropy of the projected interfacial Fermi surface.By tuning the junction resistance,we obtained a negative correlation between the superconducting gapΔand the efective barrier height Z,which validates the interfacial coupling strength as a key factor in the observed tip-induced superconductivity.These experimental results provide guidance for the relevant theory about tip-induced superconductivity on topological materials.展开更多
Coronaviruses exist widely in nature,can cause cross-species transmission,and pose serious threats to human and animal health.Over the past 20 years,coronaviruses have led to three major epidemics that have caused glo...Coronaviruses exist widely in nature,can cause cross-species transmission,and pose serious threats to human and animal health.Over the past 20 years,coronaviruses have led to three major epidemics that have caused global panic,including severe acute respiratory syndrome,Middle East respiratory syndrome,and coronavirus disease-19.At present,coronavirus disease 19 not only spreads rapidly,but also mutates easily to escape host immune response,becoming more pathogenic.At present,there are no effective specific therapeutic drugs or vaccines.Drugs targeting severe acute respiratory syndrome coronavirus 2 and the host cell defense system that have been developed based on the structure and replication cycle of coronaviruses have a certain broad-spectrum antiviral effect;however,their efficacy still needs to be demonstrated in further clinical trials.Traditional Chinese medicine has an indispensable role in the ongoing response to coronavirus disease-19.Anti-virus treatment with traditional Chinese medicine has advantages such as broad-spectrum application,low toxicity and side effects,low susceptibility to drug resistance,and overall comprehensive regulation.Therefore,researches on effective components and mechanisms of action of the anti-viral effects of traditional Chinese medicine have increasingly gained attention.The present paper examines coronaviruses,specifically summarizing the genomes,replication mechanisms,and mutant strains.Afterward,the therapeutic effects and mechanisms of action of modern broad-spectrum anti-coronavirus drugs and traditional Chinese medicine are summarized.By considering the virus and the targets in the host comprehensively,in addition to the beneficial multi-target and multi-path antiviral effects of traditional Chinese medicines,this paper could guide the development of treatment strategies for broad-spectrum anti-coronavirus traditional Chinese medicines,and could facilitate the modernization and globalization of traditional Chinese medicine.展开更多
Background:Hypertension is closely related to insomnia.Pinggan Yishen(PGYS)Granule is an effective compound medicine for treating hypertension and insomnia.In this study,we aimed to systematically explain the potentia...Background:Hypertension is closely related to insomnia.Pinggan Yishen(PGYS)Granule is an effective compound medicine for treating hypertension and insomnia.In this study,we aimed to systematically explain the potential mechanism of PGYS granules in the treatment of hypertension and insomnia using network pharmacology and molecular docking techniques.Methods:Potential targets accounted for hypertension and insomnia were obtained from OMIM,GeneCards,and DrugBank databases.We used the Batman-TCM database to query natural compounds and potential targets associated with PGYS granules.According to the localization results of PGYS granules and potential target genes of disease,the protein-protein interaction network was constructed.The tissue and subcellular distribution information for key proteins are visualized.Used KOBAS3.0 to enrich KEGG pathways and GO biological processes.Molecular docking was used to verify relationships between core compounds and proteins.Results:The comorbid mechanism of hypertensive insomnia is mainly related to disorders of neurotransmitter regulation,imbalance of the renin-angiotensin-aldosterone system(RAAS),abnormal metabolism including cytokine secretion and lipid metabolism.The potential therapeutic mechanisms of PGYS granules include the regulation of neurotransmitters,lipid metabolism and inflammatory response.CACNA1C,adrenergic receptors,cytochrome P450 family and muscarinic cholinergic receptors may be the key targets of PGYS granules.Conclusion:Hypertension and insomnia are related in mechanisms.PGYS granules may play a therapeutic role in hypertension and insomnia by regulating neurotransmitters,lipid metabolism and inflammatory response.展开更多
We report the tip-induced superconductivity on the topological semimetal NbSb_(2), similar to the observation on TaAs_(2) and NbAs_(2). Belonging to the same family of MPn_(2), all these materials possess similar band...We report the tip-induced superconductivity on the topological semimetal NbSb_(2), similar to the observation on TaAs_(2) and NbAs_(2). Belonging to the same family of MPn_(2), all these materials possess similar band structures, indicating that the tip-induced superconductivity may be closely related to their topological nature and share a common mechanism. Further analysis suggests that a bulk band should play the dominant role in such local superconductivity most likely through interface coupling. In addition, the compatibility between the induced superconductivity and tips’ ferromagnetism gives an evidence for its unconventional nature. These results provide further clues to elucidate the mechanism of the tip-induced superconductivity observed in topological materials.展开更多
基金This work was financially supported by the Project of Shenzhen Science and Technology(Nos.JCYJ20210324095210028 and JSGGZD20220822095201003)the National Natural Science Foundation of China(No.U21A2087).
文摘In this study,we proposed a novel method that integrates density functional theory(DFT)with the finite field method to accurately estimate the polarizability and dielectric constant of polymers.Our approach effectively accounts for the influence of electronic and geometric conformation changed on the dielectric constant.We validated our method using polyethylene(PE)and polytetrafluoroethylene(PTFE)as benchmark materials,and found that it reliably predicted their dielectric constants.Furthermore,we explored the impact of conformation variations in poly(vinylidene fluoride)(PVDF)on its dielectric constant and polarizability.The resulting dielectric constants ofα-andγ-PVDF(3.0)showed excellent agreement with crystalline PVDF in experiments.Our findings illuminate the relationship between PVDF’s structural properties and its electrical behavior,offering valuable insights for material design and applications.
基金supported by the National Key R&D Program of China(Grant Nos.2022YFA1403203,2017YFA0302904,2017YFA0303201,2018YFA0305602,and 2016YFA0300604)the National Natural Science Foundation of China(Grant Nos.12074002,11574372,11674331,11804379,11874417,and 92265104)+4 种基金the National Basic Research Program of China(Grant No.2015CB921303)the“Strategic Priority Research Program(B)”of the Chinese Academy of Sciences(Grant Nos.XDB07020300,XDB07020100,and XDB33030100)the Recruitment Program for Leading Talent Team of Anhui Province(2019-16)the Major Basic Program of Natural Science Foundation of Shandong Province(Grant No.ZR2021ZD01)supported by the High Magnetic Field Laboratory of Anhui Province,China。
文摘The origin of superconductivity observed at the point contact between the normal metal tip and the topological material remains uncertain due to the potential presence of superconducting elements or allotropes impurities.It is imperative to seek out a topological material entirely free of superconducting impurities and induce superconductivity between it and normal tips to verify the source of the induced superconductivity.Here,we report the observation of superconductivity up to 9 K induced at point contacts between normal metal tips and the topological material grey arsenic,which is free of superconductivity.The determined temperature dependencies of superconducting gapsΔ(T)deviate from the Bardeen-Cooper-Schriefer(BCS)superconductivity law,exhibiting abnormal behavior.Furthermore,the highly anisotropic upper critical field H_(c2)(T)suggests the anisotropy of the projected interfacial Fermi surface.By tuning the junction resistance,we obtained a negative correlation between the superconducting gapΔand the efective barrier height Z,which validates the interfacial coupling strength as a key factor in the observed tip-induced superconductivity.These experimental results provide guidance for the relevant theory about tip-induced superconductivity on topological materials.
基金funded by National Key R&D Program of China(No.2021YFE0200300)National Key R&D Program of China(No.2021YFC1712900).
文摘Coronaviruses exist widely in nature,can cause cross-species transmission,and pose serious threats to human and animal health.Over the past 20 years,coronaviruses have led to three major epidemics that have caused global panic,including severe acute respiratory syndrome,Middle East respiratory syndrome,and coronavirus disease-19.At present,coronavirus disease 19 not only spreads rapidly,but also mutates easily to escape host immune response,becoming more pathogenic.At present,there are no effective specific therapeutic drugs or vaccines.Drugs targeting severe acute respiratory syndrome coronavirus 2 and the host cell defense system that have been developed based on the structure and replication cycle of coronaviruses have a certain broad-spectrum antiviral effect;however,their efficacy still needs to be demonstrated in further clinical trials.Traditional Chinese medicine has an indispensable role in the ongoing response to coronavirus disease-19.Anti-virus treatment with traditional Chinese medicine has advantages such as broad-spectrum application,low toxicity and side effects,low susceptibility to drug resistance,and overall comprehensive regulation.Therefore,researches on effective components and mechanisms of action of the anti-viral effects of traditional Chinese medicine have increasingly gained attention.The present paper examines coronaviruses,specifically summarizing the genomes,replication mechanisms,and mutant strains.Afterward,the therapeutic effects and mechanisms of action of modern broad-spectrum anti-coronavirus drugs and traditional Chinese medicine are summarized.By considering the virus and the targets in the host comprehensively,in addition to the beneficial multi-target and multi-path antiviral effects of traditional Chinese medicines,this paper could guide the development of treatment strategies for broad-spectrum anti-coronavirus traditional Chinese medicines,and could facilitate the modernization and globalization of traditional Chinese medicine.
基金This work was supported by the Project of National Clinical Research Base of Traditional Chinese Medicine in Jiangsu Province,China(No.JD2022SZ05).
文摘Background:Hypertension is closely related to insomnia.Pinggan Yishen(PGYS)Granule is an effective compound medicine for treating hypertension and insomnia.In this study,we aimed to systematically explain the potential mechanism of PGYS granules in the treatment of hypertension and insomnia using network pharmacology and molecular docking techniques.Methods:Potential targets accounted for hypertension and insomnia were obtained from OMIM,GeneCards,and DrugBank databases.We used the Batman-TCM database to query natural compounds and potential targets associated with PGYS granules.According to the localization results of PGYS granules and potential target genes of disease,the protein-protein interaction network was constructed.The tissue and subcellular distribution information for key proteins are visualized.Used KOBAS3.0 to enrich KEGG pathways and GO biological processes.Molecular docking was used to verify relationships between core compounds and proteins.Results:The comorbid mechanism of hypertensive insomnia is mainly related to disorders of neurotransmitter regulation,imbalance of the renin-angiotensin-aldosterone system(RAAS),abnormal metabolism including cytokine secretion and lipid metabolism.The potential therapeutic mechanisms of PGYS granules include the regulation of neurotransmitters,lipid metabolism and inflammatory response.CACNA1C,adrenergic receptors,cytochrome P450 family and muscarinic cholinergic receptors may be the key targets of PGYS granules.Conclusion:Hypertension and insomnia are related in mechanisms.PGYS granules may play a therapeutic role in hypertension and insomnia by regulating neurotransmitters,lipid metabolism and inflammatory response.
基金Project supported by the National Key R&D Program of China(Grant Nos.2017YFA0302904,2017YFA0303201,2018YFA0305602,and 2016YFA0300604)the National Natural Science Foundation of China(Grants Nos.12074002,11574372,11674331,11804379,and 11874417)+4 种基金the National Basic Research Program of China(Grant No.2015CB921303)the Strategic Priority Research Program(B)of the Chinese Academy of Sciences(Grants Nos.XDB07020300,XDB07020100,and XDB33030100)the Collaborative Innovation Program of Hefei Science Center,the Chinese Academy of Sciences(Grant No.2020HSCCIP002)CASHIPS Director’s Fund,China(Grant No.BJPY2019B03)the Recruitment Program for Leading Talent Team of Anhui Province,China(2019-16)。
文摘We report the tip-induced superconductivity on the topological semimetal NbSb_(2), similar to the observation on TaAs_(2) and NbAs_(2). Belonging to the same family of MPn_(2), all these materials possess similar band structures, indicating that the tip-induced superconductivity may be closely related to their topological nature and share a common mechanism. Further analysis suggests that a bulk band should play the dominant role in such local superconductivity most likely through interface coupling. In addition, the compatibility between the induced superconductivity and tips’ ferromagnetism gives an evidence for its unconventional nature. These results provide further clues to elucidate the mechanism of the tip-induced superconductivity observed in topological materials.
