Background:The threat of avian influenza a subtype avian influenza A(H9N2)virus remains a significant concern,necessitating the exploration of novel antiviral agents.This study employs network pharmacology and computa...Background:The threat of avian influenza a subtype avian influenza A(H9N2)virus remains a significant concern,necessitating the exploration of novel antiviral agents.This study employs network pharmacology and computational analysis to investigate the potential of kuwanons,a natural compounds against H9N2 influenza virus.Methods:Leveraging comprehensive databases and bioinformatics tools,we elucidate the molecular mechanisms underlying Kuwanons pharmacological effects against H9N2 influenza virus.Network pharmacology identifies H9N2 influenza virus targets and compounds through integrated protein-protein interaction and Kyoto Encyclopedia of Genes and Genomes analyses.Molecular docking studies were performed to assess the binding affinities and structural interactions of Kuwanon analogues with key targets,shedding light on their potential inhibitory effects on viral replication and entry.Results:Compound-target network analysis revealed complex interactions(120 nodes,163 edges),with significant interactions and an average node degree of 2.72.Kyoto Encyclopedia of Genes and Genomes analysis revealed pathways such as Influenza A,Cytokine-cytokine receptor interaction pathway in H9N2 influenza virus.Molecular docking studies revealed that the binding free energy for the docked ligands ranged between-5.2 and-9.4 kcal/mol for the human interferon-beta crystal structure(IFNB1,Protein Data Bank:1AU1)and-5.4 and-9.6 kcal/mol for Interleukin-6(IL-6,PDB:4CNI).Conclusion:Our findings suggest that kuwanon exhibits promising antiviral activity against H9N2 influenza virus by targeting specific viral proteins,highlighting its potential as a natural therapeutic agent in combating avian influenza infections.展开更多
The high-pressure diagram of V–N compounds is enriched by proposed seven new stable high-pressure phases.The P-1-VN_4with the armchair N-rich structure may be quenched to ambient conditions.The formed N–N covalent b...The high-pressure diagram of V–N compounds is enriched by proposed seven new stable high-pressure phases.The P-1-VN_4with the armchair N-rich structure may be quenched to ambient conditions.The formed N–N covalent bond plays an important role for the structural stability of N-chain.The charge transfer results in a V–N ionic bond interaction,which further improves the stability of N-chain structure.The P-1-VN_4,P4mnc-VN_8,and Immm-VN_(10)with the outstanding detonation properties have potential application in explosive field.展开更多
Creative N+N compounds,also known as metaphor or metonymy N+N compounds,are a productive approach to form new words.This category of words is large in number and semantically complex.Research has demonstrated that the...Creative N+N compounds,also known as metaphor or metonymy N+N compounds,are a productive approach to form new words.This category of words is large in number and semantically complex.Research has demonstrated that the creativity of creative N+N compounds stems from the abstract and figurative thinking of people’s cognitive mechanisms.Abstract thinking facilitates the construction of abstract concepts of nouns,while figurative thinking draws connections within and between noun concepts through association and imagination.Metaphor is a source of creative words and meanings,and Lakoff and Johnson’s conceptual metaphor theory is a favorable illustration of this innovative process.Additionally,it contributes to the development of cognitive thinking skills and creative abilities.The study of creative N+N compounds helps English learners expand their vocabulary,enhance their lexical sensitivity,and promote metaphorical thinking.From a cognitive linguistic perspective,this study focuses on the cognitive mechanisms of creative N+N compounds and reveals their advantageous implications for English vocabulary teaching.展开更多
Purpose: In defining the biological effects of the 10B(n, α)7Li neutron capture reaction, we have previously developed a deterministic parsing model to determine the Compound Biological Effectiveness (CBE) factor in ...Purpose: In defining the biological effects of the 10B(n, α)7Li neutron capture reaction, we have previously developed a deterministic parsing model to determine the Compound Biological Effectiveness (CBE) factor in Borono-Phenyl-Alanine (BPA)-mediated Boron Neutron Capture Therapy (BNCT). In present paper, we demonstrate that the CBE factor is directly and unambiguously derivable by the new formula for any case of intracellular 10Boron (10B) distribution, which is founded on this model for tissues and tumor. Method: To determine the CBE factor, we derive the following new calculation formula founded on the deterministic parsing model with three constants, CBE0, F, n and the eigen value Nth/Nmax. where, Nth and Nmax are the threshold value of boron concentration of N and saturation boron density in tissues and tumor. In order to determine these constants and the eigen values, iterative calculation technique was employed for the CEB factor and Nmax data set previously reported. Results and Conclusion: From the iterative calculation results, it is clear that the calculated CBE factor values obtained are almost identical to the original CBE factors and there is a good correlation between the original CBE factors and Nth/Nmax, when CBE0, F and n are given as 0.5, 8 and 3, respectively. These constants provide a better understanding of different types of intracellular10B distribution.展开更多
The possible geometries of Fe(HCN)n (n = 1~6) compounds were studied by using + DFT/UB3LYP/6-31G(2df) method. The structure and ground state ...The possible geometries of Fe(HCN)n (n = 1~6) compounds were studied by using + DFT/UB3LYP/6-31G(2df) method. The structure and ground state of each fragmental ion are C∞v (4Σ+ or Σ ), D∞h (4Σg ), D3 (4A1 ), C2 or Td or C3v (4A1), and D3 (4A1 ) or C4 ( A1 ) sequentially 6 + + ′ ′ ′ 2 ′ h v h v with n = 1～5. For the compound Fe(HCN)6 , the possible geometry was not obtained. The + sequential incremental interaction energy (–?(?E)), dissociation energy (?D0), enthalpy (–?(?H)) and Gibbs free energy (–?(?G)), and frequencies for HCN-Fe(HCN)n + -1 were also calculated, and the results are all in good agreement with the experiments. The bond length of Fe–N is lengthened with the increase of cluster size, and the strength of Fe+–N coordination bond varies nonmon- tonically as increasing the number of ligands. The Fe+–N bond of Fe(HCN)2 is the strongest in all + compounds.展开更多
Purpose: In defining the biological effects of the 10B(n, α)7Li neutron capture reaction, we have proposed a deterministic parsing model (ISHIYAMA-IMAHORI model) to determine the Compound Biological Effectiveness (CB...Purpose: In defining the biological effects of the 10B(n, α)7Li neutron capture reaction, we have proposed a deterministic parsing model (ISHIYAMA-IMAHORI model) to determine the Compound Biological Effectiveness (CBE) factor in Borono-Phenyl-Alanine (BPA)-mediated Boron Neutron Capture Therapy (BNCT). In present paper, we demonstrate a specific method of how the application of the case of application to actual patient data, which is founded on this model for tissues and tumor. Method: To determine the CBE factor, we derived the following new calculation formula founded on the deterministic parsing model with three constants, CBE0, F, n and the eigen value Nth/Nmax.? (1), where, Nth and Nmax are the threshold value of boron concentration of N and saturation boron density and CBE0, F and n are given as 0.5, 8 and 3, respectively. In order to determine Nth and Nmax in the formula, sigmoid logistic function was employed for 10B concentration data, Db(t) obtained by dynamic PET technique. (2), where, A, a and t0 are constants. Results and Conclusion: From the application of sigmoid function to dynamic PET data, it is concluded that the Nth and Nmax for tissue and tumor are identified with the parameter constants in the sigmoid function in Equation (2) as: (3). And the calculated CBE factor values obtained from Equation (1), with Nth/Nmax.展开更多
Cubic C3N4 compound in the C-N thin films on Si and NaCl substrates was prepared by ion beam sputtering of a pure graphite target with discharge gas of pure N2. X-ray photoelectron spectroscopy indicated that nitrogen...Cubic C3N4 compound in the C-N thin films on Si and NaCl substrates was prepared by ion beam sputtering of a pure graphite target with discharge gas of pure N2. X-ray photoelectron spectroscopy indicated that nitrogen atoms combined with sp2- and sp3- coordinated C atoms in the film, respectively. X-ray diffraction, selected area electron diffraction and high-resolution electron microscopy were used to identify the cubic C3N4 phase. The results reconfirm the ab initio calculations on metastable structure in C-N compounds展开更多
The fused heterocyclic compounds 2 : imidazo [1.2-a] pyriding 2a-c and pyrido [ 1 .2-a] pyrimidine 2d were obtained from the reaction of α-cinnamoyl ketene dibenzylthio acetals 1 with diamine. When α-cinnamoyl -a...The fused heterocyclic compounds 2 : imidazo [1.2-a] pyriding 2a-c and pyrido [ 1 .2-a] pyrimidine 2d were obtained from the reaction of α-cinnamoyl ketene dibenzylthio acetals 1 with diamine. When α-cinnamoyl -a'-benzoyl ketene N. N-acetals 3a-b were treated by t-BuONa/t- BuOH Solution. 8- benzoyl-pyrido[1.2-a] pyrimidine 4 was produced.展开更多
A new compound distribution model for extreme wave heights of typhoon-affected sea areas is proposed on the basis of the maximum-entropy principle. The new model is formed by nesting a discrete distribution in a conti...A new compound distribution model for extreme wave heights of typhoon-affected sea areas is proposed on the basis of the maximum-entropy principle. The new model is formed by nesting a discrete distribution in a continuous one, having eight parameters which can be determined in terms of observed data of typhoon occurrence-frequency and extreme wave heights by numerically solving two sets of equations derived in this paper. The model is examined by using it to predict the N-year return-period wave height at two hydrology stations in the Yellow Sea, and the predicted results are compared with those predicted by use of some other compound distribution models. Examinations and comparisons show that the model has some advantages for predicting the N-year return-period wave height in typhoon-affected sea areas.展开更多
Reduction of a series of N,N＇-diaryl adipyl bis-azo compounds using hydrazine hydrate as reductant was investigated. The products were characterized by elemental analysis, IR and 1H NMR methods and confirmed to be N,...Reduction of a series of N,N＇-diaryl adipyl bis-azo compounds using hydrazine hydrate as reductant was investigated. The products were characterized by elemental analysis, IR and 1H NMR methods and confirmed to be N,N＇-diaryl adipyl dihydrazine. The results show that hydrazine hydrate can selectively reduce azo bonds with other potential reducible bonds intact in the N,N＇-diaryl adipyl bis-azo compounds. The yields are high up to 92% under mild reaction conditions. According to the previous reports, this reduction process was attributed to an indirect reduction mechanism through an intermediate diimide.展开更多
文摘Background:The threat of avian influenza a subtype avian influenza A(H9N2)virus remains a significant concern,necessitating the exploration of novel antiviral agents.This study employs network pharmacology and computational analysis to investigate the potential of kuwanons,a natural compounds against H9N2 influenza virus.Methods:Leveraging comprehensive databases and bioinformatics tools,we elucidate the molecular mechanisms underlying Kuwanons pharmacological effects against H9N2 influenza virus.Network pharmacology identifies H9N2 influenza virus targets and compounds through integrated protein-protein interaction and Kyoto Encyclopedia of Genes and Genomes analyses.Molecular docking studies were performed to assess the binding affinities and structural interactions of Kuwanon analogues with key targets,shedding light on their potential inhibitory effects on viral replication and entry.Results:Compound-target network analysis revealed complex interactions(120 nodes,163 edges),with significant interactions and an average node degree of 2.72.Kyoto Encyclopedia of Genes and Genomes analysis revealed pathways such as Influenza A,Cytokine-cytokine receptor interaction pathway in H9N2 influenza virus.Molecular docking studies revealed that the binding free energy for the docked ligands ranged between-5.2 and-9.4 kcal/mol for the human interferon-beta crystal structure(IFNB1,Protein Data Bank:1AU1)and-5.4 and-9.6 kcal/mol for Interleukin-6(IL-6,PDB:4CNI).Conclusion:Our findings suggest that kuwanon exhibits promising antiviral activity against H9N2 influenza virus by targeting specific viral proteins,highlighting its potential as a natural therapeutic agent in combating avian influenza infections.
文摘The high-pressure diagram of V–N compounds is enriched by proposed seven new stable high-pressure phases.The P-1-VN_4with the armchair N-rich structure may be quenched to ambient conditions.The formed N–N covalent bond plays an important role for the structural stability of N-chain.The charge transfer results in a V–N ionic bond interaction,which further improves the stability of N-chain structure.The P-1-VN_4,P4mnc-VN_8,and Immm-VN_(10)with the outstanding detonation properties have potential application in explosive field.
文摘Creative N+N compounds,also known as metaphor or metonymy N+N compounds,are a productive approach to form new words.This category of words is large in number and semantically complex.Research has demonstrated that the creativity of creative N+N compounds stems from the abstract and figurative thinking of people’s cognitive mechanisms.Abstract thinking facilitates the construction of abstract concepts of nouns,while figurative thinking draws connections within and between noun concepts through association and imagination.Metaphor is a source of creative words and meanings,and Lakoff and Johnson’s conceptual metaphor theory is a favorable illustration of this innovative process.Additionally,it contributes to the development of cognitive thinking skills and creative abilities.The study of creative N+N compounds helps English learners expand their vocabulary,enhance their lexical sensitivity,and promote metaphorical thinking.From a cognitive linguistic perspective,this study focuses on the cognitive mechanisms of creative N+N compounds and reveals their advantageous implications for English vocabulary teaching.
文摘Purpose: In defining the biological effects of the 10B(n, α)7Li neutron capture reaction, we have previously developed a deterministic parsing model to determine the Compound Biological Effectiveness (CBE) factor in Borono-Phenyl-Alanine (BPA)-mediated Boron Neutron Capture Therapy (BNCT). In present paper, we demonstrate that the CBE factor is directly and unambiguously derivable by the new formula for any case of intracellular 10Boron (10B) distribution, which is founded on this model for tissues and tumor. Method: To determine the CBE factor, we derive the following new calculation formula founded on the deterministic parsing model with three constants, CBE0, F, n and the eigen value Nth/Nmax. where, Nth and Nmax are the threshold value of boron concentration of N and saturation boron density in tissues and tumor. In order to determine these constants and the eigen values, iterative calculation technique was employed for the CEB factor and Nmax data set previously reported. Results and Conclusion: From the iterative calculation results, it is clear that the calculated CBE factor values obtained are almost identical to the original CBE factors and there is a good correlation between the original CBE factors and Nth/Nmax, when CBE0, F and n are given as 0.5, 8 and 3, respectively. These constants provide a better understanding of different types of intracellular10B distribution.
基金This research was supported by the National Natural Science Foundation of China (20273013 20303002)+1 种基金 the Key Foundation of Fujian Province (K02012) the Foundation of State Key Laboratory of Structural Chemistry (020051) and of Fuzhou University
文摘The possible geometries of Fe(HCN)n (n = 1~6) compounds were studied by using + DFT/UB3LYP/6-31G(2df) method. The structure and ground state of each fragmental ion are C∞v (4Σ+ or Σ ), D∞h (4Σg ), D3 (4A1 ), C2 or Td or C3v (4A1), and D3 (4A1 ) or C4 ( A1 ) sequentially 6 + + ′ ′ ′ 2 ′ h v h v with n = 1～5. For the compound Fe(HCN)6 , the possible geometry was not obtained. The + sequential incremental interaction energy (–?(?E)), dissociation energy (?D0), enthalpy (–?(?H)) and Gibbs free energy (–?(?G)), and frequencies for HCN-Fe(HCN)n + -1 were also calculated, and the results are all in good agreement with the experiments. The bond length of Fe–N is lengthened with the increase of cluster size, and the strength of Fe+–N coordination bond varies nonmon- tonically as increasing the number of ligands. The Fe+–N bond of Fe(HCN)2 is the strongest in all + compounds.
文摘Purpose: In defining the biological effects of the 10B(n, α)7Li neutron capture reaction, we have proposed a deterministic parsing model (ISHIYAMA-IMAHORI model) to determine the Compound Biological Effectiveness (CBE) factor in Borono-Phenyl-Alanine (BPA)-mediated Boron Neutron Capture Therapy (BNCT). In present paper, we demonstrate a specific method of how the application of the case of application to actual patient data, which is founded on this model for tissues and tumor. Method: To determine the CBE factor, we derived the following new calculation formula founded on the deterministic parsing model with three constants, CBE0, F, n and the eigen value Nth/Nmax.? (1), where, Nth and Nmax are the threshold value of boron concentration of N and saturation boron density and CBE0, F and n are given as 0.5, 8 and 3, respectively. In order to determine Nth and Nmax in the formula, sigmoid logistic function was employed for 10B concentration data, Db(t) obtained by dynamic PET technique. (2), where, A, a and t0 are constants. Results and Conclusion: From the application of sigmoid function to dynamic PET data, it is concluded that the Nth and Nmax for tissue and tumor are identified with the parameter constants in the sigmoid function in Equation (2) as: (3). And the calculated CBE factor values obtained from Equation (1), with Nth/Nmax.
文摘Cubic C3N4 compound in the C-N thin films on Si and NaCl substrates was prepared by ion beam sputtering of a pure graphite target with discharge gas of pure N2. X-ray photoelectron spectroscopy indicated that nitrogen atoms combined with sp2- and sp3- coordinated C atoms in the film, respectively. X-ray diffraction, selected area electron diffraction and high-resolution electron microscopy were used to identify the cubic C3N4 phase. The results reconfirm the ab initio calculations on metastable structure in C-N compounds
文摘The fused heterocyclic compounds 2 : imidazo [1.2-a] pyriding 2a-c and pyrido [ 1 .2-a] pyrimidine 2d were obtained from the reaction of α-cinnamoyl ketene dibenzylthio acetals 1 with diamine. When α-cinnamoyl -a'-benzoyl ketene N. N-acetals 3a-b were treated by t-BuONa/t- BuOH Solution. 8- benzoyl-pyrido[1.2-a] pyrimidine 4 was produced.
基金supported by the Open Fund of the Key Laboratory of Research on Marine Hazards Forecasting (Grant No.LOMF1101)the Shanghai Typhoon Research Fund (Grant No. 2009ST05)the National Natural Science Foundation of China(Grant No. 40776006)
文摘A new compound distribution model for extreme wave heights of typhoon-affected sea areas is proposed on the basis of the maximum-entropy principle. The new model is formed by nesting a discrete distribution in a continuous one, having eight parameters which can be determined in terms of observed data of typhoon occurrence-frequency and extreme wave heights by numerically solving two sets of equations derived in this paper. The model is examined by using it to predict the N-year return-period wave height at two hydrology stations in the Yellow Sea, and the predicted results are compared with those predicted by use of some other compound distribution models. Examinations and comparisons show that the model has some advantages for predicting the N-year return-period wave height in typhoon-affected sea areas.
基金Supported by the Science Foundation of Education Department of Heilongjiang Province(12511142)
文摘Reduction of a series of N,N＇-diaryl adipyl bis-azo compounds using hydrazine hydrate as reductant was investigated. The products were characterized by elemental analysis, IR and 1H NMR methods and confirmed to be N,N＇-diaryl adipyl dihydrazine. The results show that hydrazine hydrate can selectively reduce azo bonds with other potential reducible bonds intact in the N,N＇-diaryl adipyl bis-azo compounds. The yields are high up to 92% under mild reaction conditions. According to the previous reports, this reduction process was attributed to an indirect reduction mechanism through an intermediate diimide.
