Hepatocyte nuclear factor 1 alpha(HNF1A),hepatocyte nuclear factor 4 alpha(HNF4A),and forkhead box protein A2(FOXA2)are key transcription factors that regulate a complex gene network in the liver,cre-ating a regulator...Hepatocyte nuclear factor 1 alpha(HNF1A),hepatocyte nuclear factor 4 alpha(HNF4A),and forkhead box protein A2(FOXA2)are key transcription factors that regulate a complex gene network in the liver,cre-ating a regulatory transcriptional loop.The Encode and ChIP-Atlas databases identify the recognition sites of these transcription factors in many glycosyltransferase genes.Our in silico analysis of HNF1A,HNF4A.and FOXA2 binding to the ten candidate glyco-genes studied in this work confirms a significant enrich-ment of these transcription factors specifically in the liver.Our previous studies identified HNF1A as a master regulator of fucosylation,glycan branching,and galactosylation of plasma glycoproteins.Here,we aimed to functionally validate the role of the three transcription factors on downstream glyco-gene transcriptional expression and the possible effect on glycan phenotype.We used the state-of-the-art clus-tered regularly interspaced short palindromic repeats/dead Cas9(CRISPR/dCas9)molecular tool for the downregulation of the HNF1A,HNF4A,and FOXA2 genes in HepG2 cells-a human liver cancer cell line.The results show that the downregulation of all three genes individually and in pairs affects the transcrip-tional activity of many glyco-genes,although downregulation of glyco-genes was not always followed by an unambiguous change in the corresponding glycan structures.The effect is better seen as an overall change in the total HepG2 N-glycome,primarily due to the extension of biantennary glycans.We propose an alternative way to evaluate the N-glycome composition via estimating the overall complexity of the glycome by quantifying the number of monomers in each glycan structure.We also propose a model showing feedback loops with the mutual activation of HNF1A-FOXA2 and HNF4A-FOXA2 affecting glyco-genes and protein glycosylation in HepG2 cells.展开更多
A series of clusters Ni4P are designed to simulate the amorphous alloy Ni80P20. After the cluster models are computed by DFT, several stable structures are gained. Their geometric, electronic and catalytic properties ...A series of clusters Ni4P are designed to simulate the amorphous alloy Ni80P20. After the cluster models are computed by DFT, several stable structures are gained. Their geometric, electronic and catalytic properties have been analyzed and discussed. It is proved that cluster Ni4P can reflect the amorphous alloy Ni80P20 very well from the geometry parameters. We find the deformed triangle dipyramid with quadruplet state （configuration 1^（4）） is the most stable structure for cluster Ni4P, which is the most possible local structure in amorphous alloy Ni80P20. And the transition energy between two isomers with the same multiple state is higher than the one with the different. Bond Ni-P plays a very important role in offering the system stability for cluster Ni4E P is the electron donor, and Ni is the accepter in cluster Ni4P, which is in accordance with the experiment results. The 3d orbital populations and Fermi levels of clusters Ni4 have been decreased with the addition of atom E Based on the research of Fermi levels of clusters Ni4P to approach the Fermi level of H2 and their density of state （DOS）, the highest catalytic active property in cluster Ni4P is owned to configuration 1^（4）.展开更多
A hierarchical cluster analysis has been made on the geomagnetic and geoelectric data of Nagoya ( Φ =21.1°), Japan (1978 1981, 1985, 1987) and geomagnetic data of Wuchang ( Φ =19.1°), China (1985 199...A hierarchical cluster analysis has been made on the geomagnetic and geoelectric data of Nagoya ( Φ =21.1°), Japan (1978 1981, 1985, 1987) and geomagnetic data of Wuchang ( Φ =19.1°), China (1985 1995). From the cluster diagram it is seen that the monthly mean occurrence of Pc3 4 observed at these two sites can be best grouped into 3 clusters.展开更多
The coordination polymer,[Mn3（L） 2（adip） 3]·2H2O（L = 2-（4-fluorophenyl） -1H-imidazo[4,5-f] [1,10]phenanthroline and H2adip = adipic acid） ,has been synthesized under hydro-thermal conditions and character...The coordination polymer,[Mn3（L） 2（adip） 3]·2H2O（L = 2-（4-fluorophenyl） -1H-imidazo[4,5-f] [1,10]phenanthroline and H2adip = adipic acid） ,has been synthesized under hydro-thermal conditions and characterized by elemental analysis,IR and single-crystal X-ray diffraction. It crystallizes in triclinic,space group P1^- with a = 8.4085（11） ,b = 11.1273（14） ,c = 14.5758（18） ,α = 78.528（2） ,β = 75.425（2） ,γ = 78.143（2） °,V = 1276.0（3） A^3,Z = 1,C56H50F2Mn3N8O14,Mr = 1261.86,Dc = 1.642 g/cm^3,F（000） = 647,μ（MoKa） = 0.819 mm^-1,R = 0.0446 and wR = 0.1008. The backbones of the two types of adip dianions link the neighboring trinuclear Mn（Ⅱ） clusters to yield a two-dimensional layer structure. The large conjugated L ligands are located on both sides of the two-dimensional layers. Additionally,the O-H···O,O-H···N and N-H···O hydrogen bonds further stabilize the structure.展开更多
The B4N4 configurations were designed by using the molecular figure software. The full geometry optimization and harmonic vibration frequency analysis were performed at the 6-31G（d） level using density functional th...The B4N4 configurations were designed by using the molecular figure software. The full geometry optimization and harmonic vibration frequency analysis were performed at the 6-31G（d） level using density functional theory B3LYP method, which indicates that the five isomers are stationary points on the potential energy surface of B4N4 molecules. The geometry structure, frontier molecular orbital （FMO） and mulliken population have been analyzed. The bonding properties and hybrid type were also discussed in detail, showing the addition of hydrogen atoms to boron or nitrogen atom would increase the stabilities of the BN clusters.展开更多
The cluster compound[Mo_4S_4(μ-O_2CC_5H_5)_2(dtp)_4](dtp=S_2P(OEt)_2)was obtained by the ligand substitution reaction of tetranuclear molybdenum cluster [Mo_4S_4(μ-dtp)_2(dtp)_4]in the mixed solvent of acetone,ethan...The cluster compound[Mo_4S_4(μ-O_2CC_5H_5)_2(dtp)_4](dtp=S_2P(OEt)_2)was obtained by the ligand substitution reaction of tetranuclear molybdenum cluster [Mo_4S_4(μ-dtp)_2(dtp)_4]in the mixed solvent of acetone,ethanol and water in the presence of C_6H_5CO_2Na.It is monoclinic and crystallizes in space group C2/c, Mr=1495.09,a=12.175(5),b=22.01(1),c=20.875(9),β=99.04(4)°;V=5575(5);Z=4; Dc=1.78g/cm^3.Final R factor is 0.066.The result reveals that the[Mo_4S_4]cluster core and t-(dtp)^(-1)ligands are retained and only μ-bridged(dtp)^(-1)ligands are substituted by(C_6H_5CO_2)^(-1)in the substitution reaction,thus producing the new title cluster compound,the structure of which contains two species of bidentate ligand.展开更多
The new cluster[Mo_4(μ_3-O)_2O_4Cl_2(o-CH_3C_6H_4COO)_6]has been prepared by the reaction of molybdenum pentachloride and o-methylbenzoic acid.The crystal and molecular structures were determined by the X-ray diffrac...The new cluster[Mo_4(μ_3-O)_2O_4Cl_2(o-CH_3C_6H_4COO)_6]has been prepared by the reaction of molybdenum pentachloride and o-methylbenzoic acid.The crystal and molecular structures were determined by the X-ray diffraction method.It crystallizes in the orthorhombic space group Pnna with cell parameters:Mr=1361.6,a=13.792(4), b=17.957(3),c=20.974(9) ,V=5194(2) ~3,Z=4,Dc=1.74/cm^3,F(OOO)=2704,μ(MoK ) =11.0/cm,R=0.074.展开更多
The electronic structure and spectra of [Mo3O4-nSn]^(4+)(n=0-4) cations were calculated by means of INDO/CI quantum chemistry method to account for the experimental data of their spectra in water solutions.
Elemental abundance patterns of globular cluster stars can provide important clues for understanding cluster formation and early chemical evolution.The origin of the abundance patterns,however,still remains poorly und...Elemental abundance patterns of globular cluster stars can provide important clues for understanding cluster formation and early chemical evolution.The origin of the abundance patterns,however,still remains poorly understood.We have studied the impact of p-capture reaction cycles on the abundances of oxygen,sodium and aluminium considering nuclear reaction cycles of carbon-nitrogenoxygen-fluorine,neon-sodium and magnesium-aluminium in massive stars in stellar conditions of temperature range 2×107to 10×107K and typical density of 102gm cc-1.We have estimated abundances of oxygen,sodium and aluminium with respect to Fe,which are then assumed to be ejected from those stars because of rotation reaching a critical limit.These ejected abundances of elements are then compared with their counterparts that have been observed in some metal-poor evolved stars,mainly giants and red giants,of globular clusters M3,M4,M13 and NGC 6752.We observe an excellent agreement with[O/Fe]between the estimated and observed abundance values for globular clusters M3 and M4 with a correlation coefficient above 0.9 and a strong linear correlation for the remaining two clusters with a correlation coefficient above 0.7.The estimated[Na/Fe]is found to have a correlation coefficient above 0.7,thus implying a strong correlation for all four globular clusters.As far as[Al/Fe]is concerned,it also shows a strong correlation between the estimated abundance and the observed abundance for globular clusters M13 and NGC 6752,since here also the correlation coefficient is above 0.7 whereas for globular cluster M4 there is a moderate correlation found with a correlation coefficient above 0.6.Possible sources of these discrepancies are discussed.展开更多
The possible geometrical structures and relative stabilities of semiconductor microclusters Ga\-\%n\%P\-\%n(n\%=1\_4) were studied by virtue of density functional calculations with generalized gradient approximation(B...The possible geometrical structures and relative stabilities of semiconductor microclusters Ga\-\%n\%P\-\%n(n\%=1\_4) were studied by virtue of density functional calculations with generalized gradient approximation(B3LYP). For the most stable isomers of Ga\-\%n\%P\-\%n(n\%=1\_4) clusters, the electronic structure, vibrational properties, dipole moment, polarizability and ionization potential were analyzed by means of HF, MP2, CISD and B3LYP methods with different basis sets.展开更多
The major factors affecting plant regeneration in suspension culture were investigated.The resultsshow that,in order for cell clusters to differentiate directly in liquid medium,it is essential toestablish an embryoge...The major factors affecting plant regeneration in suspension culture were investigated.The resultsshow that,in order for cell clusters to differentiate directly in liquid medium,it is essential toestablish an embryogenic callus line with high potential for plant regeneration.Embryogenic calliwere suspended in AA basic medium supplemented with 2,4-D 1 mg/L,6-benzylaminopurine 0.5mg/L,CH 300 mg/L,sucrose 3％ and mannitol 3％ and subcultured 7 days for each passage.Aftermore than 6 months of culturing,a fine suspension culture of small cell clusters(SCC)wasestablished.The SCC,80-270μin diameter,were then transferred to a liquid medium(MSsupplemented with NAA 0.01 mg/L and 4-pyridylurae(4-PU)0.5 mg/L)and allowed to grow instationary culture.Finally direct differentiation from SCC was observed.Several factors in suspension-subculture exerted strong after-effects on differentiation ofSCC.Basicmedia,kinds and concentration combinations of auxin and cytokinin in the subculture media,duration of shaking at each subculture passage,and amount of packed cell volume transferred to newmedium at each subculture passage and so on,all these affected the frequency of differentiation ofSCC.Higher concentrations of NAA and kinetin in the differentiation medium inhibited the directdifferentiation of SCC.Low concentrations(0.01-0.1 mg/L)of NAA with 4-PU in thedifferentiation medium were helpful for the direct differentiation of SCC.The differentiated clusterspossessed typical embryogenic structure from which normal plantlets could develop after transferringto agar medium.展开更多
基金the European Structural and Investment Funded Grant"Cardio Metabolic"(#KK.01.2.1.02.0321)the Croatian National Centre of Research Excellence in Personalized Healthcare Grant(#KK.01.1.1.01.0010)+2 种基金the European Regional Development Fund Grant,project"CRISPR/Cas9-CasMouse"(#KK.01.1.1.04.0085)the European Structural and Investment Funded Project of Centre of Competence in Molecular Diagnostics(#KK.01.2.2.03.0006)the Croatian National Centre of Research Excellence in Personalized Healthcare Grant(#KK.01.1.1.01.0010).
文摘Hepatocyte nuclear factor 1 alpha(HNF1A),hepatocyte nuclear factor 4 alpha(HNF4A),and forkhead box protein A2(FOXA2)are key transcription factors that regulate a complex gene network in the liver,cre-ating a regulatory transcriptional loop.The Encode and ChIP-Atlas databases identify the recognition sites of these transcription factors in many glycosyltransferase genes.Our in silico analysis of HNF1A,HNF4A.and FOXA2 binding to the ten candidate glyco-genes studied in this work confirms a significant enrich-ment of these transcription factors specifically in the liver.Our previous studies identified HNF1A as a master regulator of fucosylation,glycan branching,and galactosylation of plasma glycoproteins.Here,we aimed to functionally validate the role of the three transcription factors on downstream glyco-gene transcriptional expression and the possible effect on glycan phenotype.We used the state-of-the-art clus-tered regularly interspaced short palindromic repeats/dead Cas9(CRISPR/dCas9)molecular tool for the downregulation of the HNF1A,HNF4A,and FOXA2 genes in HepG2 cells-a human liver cancer cell line.The results show that the downregulation of all three genes individually and in pairs affects the transcrip-tional activity of many glyco-genes,although downregulation of glyco-genes was not always followed by an unambiguous change in the corresponding glycan structures.The effect is better seen as an overall change in the total HepG2 N-glycome,primarily due to the extension of biantennary glycans.We propose an alternative way to evaluate the N-glycome composition via estimating the overall complexity of the glycome by quantifying the number of monomers in each glycan structure.We also propose a model showing feedback loops with the mutual activation of HNF1A-FOXA2 and HNF4A-FOXA2 affecting glyco-genes and protein glycosylation in HepG2 cells.
文摘A series of clusters Ni4P are designed to simulate the amorphous alloy Ni80P20. After the cluster models are computed by DFT, several stable structures are gained. Their geometric, electronic and catalytic properties have been analyzed and discussed. It is proved that cluster Ni4P can reflect the amorphous alloy Ni80P20 very well from the geometry parameters. We find the deformed triangle dipyramid with quadruplet state （configuration 1^（4）） is the most stable structure for cluster Ni4P, which is the most possible local structure in amorphous alloy Ni80P20. And the transition energy between two isomers with the same multiple state is higher than the one with the different. Bond Ni-P plays a very important role in offering the system stability for cluster Ni4E P is the electron donor, and Ni is the accepter in cluster Ni4P, which is in accordance with the experiment results. The 3d orbital populations and Fermi levels of clusters Ni4 have been decreased with the addition of atom E Based on the research of Fermi levels of clusters Ni4P to approach the Fermi level of H2 and their density of state （DOS）, the highest catalytic active property in cluster Ni4P is owned to configuration 1^（4）.
文摘A hierarchical cluster analysis has been made on the geomagnetic and geoelectric data of Nagoya ( Φ =21.1°), Japan (1978 1981, 1985, 1987) and geomagnetic data of Wuchang ( Φ =19.1°), China (1985 1995). From the cluster diagram it is seen that the monthly mean occurrence of Pc3 4 observed at these two sites can be best grouped into 3 clusters.
基金Supported by the Institute Foundation of Siping City (No.2009011)
文摘The coordination polymer,[Mn3（L） 2（adip） 3]·2H2O（L = 2-（4-fluorophenyl） -1H-imidazo[4,5-f] [1,10]phenanthroline and H2adip = adipic acid） ,has been synthesized under hydro-thermal conditions and characterized by elemental analysis,IR and single-crystal X-ray diffraction. It crystallizes in triclinic,space group P1^- with a = 8.4085（11） ,b = 11.1273（14） ,c = 14.5758（18） ,α = 78.528（2） ,β = 75.425（2） ,γ = 78.143（2） °,V = 1276.0（3） A^3,Z = 1,C56H50F2Mn3N8O14,Mr = 1261.86,Dc = 1.642 g/cm^3,F（000） = 647,μ（MoKa） = 0.819 mm^-1,R = 0.0446 and wR = 0.1008. The backbones of the two types of adip dianions link the neighboring trinuclear Mn（Ⅱ） clusters to yield a two-dimensional layer structure. The large conjugated L ligands are located on both sides of the two-dimensional layers. Additionally,the O-H···O,O-H···N and N-H···O hydrogen bonds further stabilize the structure.
文摘The B4N4 configurations were designed by using the molecular figure software. The full geometry optimization and harmonic vibration frequency analysis were performed at the 6-31G（d） level using density functional theory B3LYP method, which indicates that the five isomers are stationary points on the potential energy surface of B4N4 molecules. The geometry structure, frontier molecular orbital （FMO） and mulliken population have been analyzed. The bonding properties and hybrid type were also discussed in detail, showing the addition of hydrogen atoms to boron or nitrogen atom would increase the stabilities of the BN clusters.
文摘The cluster compound[Mo_4S_4(μ-O_2CC_5H_5)_2(dtp)_4](dtp=S_2P(OEt)_2)was obtained by the ligand substitution reaction of tetranuclear molybdenum cluster [Mo_4S_4(μ-dtp)_2(dtp)_4]in the mixed solvent of acetone,ethanol and water in the presence of C_6H_5CO_2Na.It is monoclinic and crystallizes in space group C2/c, Mr=1495.09,a=12.175(5),b=22.01(1),c=20.875(9),β=99.04(4)°;V=5575(5);Z=4; Dc=1.78g/cm^3.Final R factor is 0.066.The result reveals that the[Mo_4S_4]cluster core and t-(dtp)^(-1)ligands are retained and only μ-bridged(dtp)^(-1)ligands are substituted by(C_6H_5CO_2)^(-1)in the substitution reaction,thus producing the new title cluster compound,the structure of which contains two species of bidentate ligand.
基金Work supported by the National Natural Science Foundation of China(NNSFC)
文摘The new cluster[Mo_4(μ_3-O)_2O_4Cl_2(o-CH_3C_6H_4COO)_6]has been prepared by the reaction of molybdenum pentachloride and o-methylbenzoic acid.The crystal and molecular structures were determined by the X-ray diffraction method.It crystallizes in the orthorhombic space group Pnna with cell parameters:Mr=1361.6,a=13.792(4), b=17.957(3),c=20.974(9) ,V=5194(2) ~3,Z=4,Dc=1.74/cm^3,F(OOO)=2704,μ(MoK ) =11.0/cm,R=0.074.
文摘The electronic structure and spectra of [Mo3O4-nSn]^(4+)(n=0-4) cations were calculated by means of INDO/CI quantum chemistry method to account for the experimental data of their spectra in water solutions.
文摘Elemental abundance patterns of globular cluster stars can provide important clues for understanding cluster formation and early chemical evolution.The origin of the abundance patterns,however,still remains poorly understood.We have studied the impact of p-capture reaction cycles on the abundances of oxygen,sodium and aluminium considering nuclear reaction cycles of carbon-nitrogenoxygen-fluorine,neon-sodium and magnesium-aluminium in massive stars in stellar conditions of temperature range 2×107to 10×107K and typical density of 102gm cc-1.We have estimated abundances of oxygen,sodium and aluminium with respect to Fe,which are then assumed to be ejected from those stars because of rotation reaching a critical limit.These ejected abundances of elements are then compared with their counterparts that have been observed in some metal-poor evolved stars,mainly giants and red giants,of globular clusters M3,M4,M13 and NGC 6752.We observe an excellent agreement with[O/Fe]between the estimated and observed abundance values for globular clusters M3 and M4 with a correlation coefficient above 0.9 and a strong linear correlation for the remaining two clusters with a correlation coefficient above 0.7.The estimated[Na/Fe]is found to have a correlation coefficient above 0.7,thus implying a strong correlation for all four globular clusters.As far as[Al/Fe]is concerned,it also shows a strong correlation between the estimated abundance and the observed abundance for globular clusters M13 and NGC 6752,since here also the correlation coefficient is above 0.7 whereas for globular cluster M4 there is a moderate correlation found with a correlation coefficient above 0.6.Possible sources of these discrepancies are discussed.
基金Supported by the West Visiting Scholar Foundation of the Educational Ministry of China and the Natiional NaturalScience Foundation of China(No.10 3470 0 7)
文摘The possible geometrical structures and relative stabilities of semiconductor microclusters Ga\-\%n\%P\-\%n(n\%=1\_4) were studied by virtue of density functional calculations with generalized gradient approximation(B3LYP). For the most stable isomers of Ga\-\%n\%P\-\%n(n\%=1\_4) clusters, the electronic structure, vibrational properties, dipole moment, polarizability and ionization potential were analyzed by means of HF, MP2, CISD and B3LYP methods with different basis sets.
基金This work was completed in Tohoku University,Japan
文摘The major factors affecting plant regeneration in suspension culture were investigated.The resultsshow that,in order for cell clusters to differentiate directly in liquid medium,it is essential toestablish an embryogenic callus line with high potential for plant regeneration.Embryogenic calliwere suspended in AA basic medium supplemented with 2,4-D 1 mg/L,6-benzylaminopurine 0.5mg/L,CH 300 mg/L,sucrose 3％ and mannitol 3％ and subcultured 7 days for each passage.Aftermore than 6 months of culturing,a fine suspension culture of small cell clusters(SCC)wasestablished.The SCC,80-270μin diameter,were then transferred to a liquid medium(MSsupplemented with NAA 0.01 mg/L and 4-pyridylurae(4-PU)0.5 mg/L)and allowed to grow instationary culture.Finally direct differentiation from SCC was observed.Several factors in suspension-subculture exerted strong after-effects on differentiation ofSCC.Basicmedia,kinds and concentration combinations of auxin and cytokinin in the subculture media,duration of shaking at each subculture passage,and amount of packed cell volume transferred to newmedium at each subculture passage and so on,all these affected the frequency of differentiation ofSCC.Higher concentrations of NAA and kinetin in the differentiation medium inhibited the directdifferentiation of SCC.Low concentrations(0.01-0.1 mg/L)of NAA with 4-PU in thedifferentiation medium were helpful for the direct differentiation of SCC.The differentiated clusterspossessed typical embryogenic structure from which normal plantlets could develop after transferringto agar medium.
