(R)-1,3-butanediol is an important pharmaceutical intermediate, and the synthesis of(R)-1,3-butanediol using green biological methods has recently been of interest for industrial application. Here, a novel strain QC-1...(R)-1,3-butanediol is an important pharmaceutical intermediate, and the synthesis of(R)-1,3-butanediol using green biological methods has recently been of interest for industrial application. Here, a novel strain QC-1 that efficiently transforms 4-hydroxy-2-butanone to(R)-1,3-butanediol was isolated from soil samples. Based on morphological, physiological, and biochemical tests and 5.8 S-internal transcribed spacer sequencing, the strain was identified as Pichia kudriavzevii QC-1. The reaction conditions were optimized to 35 ℃, pH 8.0, rotation speed 200 rpm, and 6:5 mass ratio of glucose to 4-hydroxy-2-butanone. Evaluation of the effects of 4-hydroxy-2-butanone concentrations on yield and cell survival rate showed that 85.60 g·L^-1 product accumulated, with an enantiomeric excess of more than 99%, when 30 g·L^-14-hydroxy-2-butanone was added at 0, 10, and 30 h in a 3-L bioreactor. Thus, strain QC-1 showed excellent catalytic activity and stereoselectivity for the synthesis of(R)-1,3-butanediol from 4-hydroxy-2-butanone.展开更多
The crystal structure of the title compound 1-(4-fluorophenyl) -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5(1H) -one(C23H21FN4O2S,Mr = 436.5) has been prepared and determined by single-cr...The crystal structure of the title compound 1-(4-fluorophenyl) -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5(1H) -one(C23H21FN4O2S,Mr = 436.5) has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854(3) ,b = 17.2678(4) ,c = 18.1828(5)A,β = 99.364(2) °,V = 4332.58(18) A^3,Z = 4,Dc = 1.338,F(000) =1824,μ = 0.185 mm^-1,MoKa radiation(λ = 0.71073) ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I 〉 2σ(I) . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5(1H) -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.展开更多
The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl- 1 - (1 H- 1,2,4-triazol- 1 -yl)butan-2-one with 1 -(2-fluorophenyl)thiourea, and its crystal struc- ture was determined by single-...The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl- 1 - (1 H- 1,2,4-triazol- 1 -yl)butan-2-one with 1 -(2-fluorophenyl)thiourea, and its crystal struc- ture was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a = 15.2568(6), b = 12.1533(5), c = 16.7307(7) A, Z = 8, V = 3102.2(2) A3, Mr = 317.39, Dc = 1.359 g/cm3, S = 1.05, μ = 0.223 mm-1, F(000) = 1328, the final R = 0.034 and wR = 0.097 for 2590 observed reflections (I 〉 2σ(I)). X-ray crystal structure presents the intramolecular N-H…N hydrogen bond, which plays an important role in stabilizing the crystal structure. In addition, the preliminary biological test on the title compound shows good antitumor activity, with IC50 of 0.122 μmol/mL against the Hela cell line.展开更多
A new 1D coordination polymer, [Pb(L)(cis-1,4-chdc)]·0.5H2O (cis-1,4-chdc = 1,4-cyclohexanedicarboxylate and L = 2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline), has been synthesized under hydro...A new 1D coordination polymer, [Pb(L)(cis-1,4-chdc)]·0.5H2O (cis-1,4-chdc = 1,4-cyclohexanedicarboxylate and L = 2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline), has been synthesized under hydrothermal conditions and characterized by elemental analysis, TG and single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a = 9.153(5), b = 10.338(5), c = 13.074(5), α = 80.956(5), β = 89.725(5), γ = 80.534(5)°, V = 1204.8(10)3 , Z = 1, C54H44F2N8O9Pb2 , Mr = 1401.35, Dc = 1.931 g/cm3 , F(000) = 678, μ(MoKa) = 7.055 mm-1 , R = 0.0277 and wR = 0.0559. Each cis-1,4-chdc anion coordinates with two Pb(Ⅱ) atoms in a bis-chelating coordination mode. In this way, cis-1,4-chdc anions bridged the neighboring Pb(Ⅱ) atoms to generate a 1D chain structure. The L ligands from neighboring chains are paired through the strong π-π interactions to generate a fascinating 2D supramolecular layer.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
基金Financial supports from the National Key R&D Program of China(2018YFC1604100)the National Natural Science Foundation of China(NSFC)[21676120,31872891]+8 种基金the 111 Project[111-2-06]the Highend Foreign Experts Recruitment Program[G20190010083]the Program for Advanced Talents within Six Industries of Jiangsu Province[2015-NY007]the National Program for Support of Top-notch Young Professionalsthe Fundamental Research Funds for the Central Universities[JUSRP51504]the Project Funded by the Priority Academic Program Development of Jiangsu Higher Education InstitutionsTop-notch Academic Programs Project of Jiangsu Higher Education Institutionsthe Jiangsu Province“Collaborative Innovation Center for Advanced Industrial Fermentation”Industry Development Programthe National First-Class Discipline Program of Light Industry Technology and Engineering[LITE2018-09]。
文摘(R)-1,3-butanediol is an important pharmaceutical intermediate, and the synthesis of(R)-1,3-butanediol using green biological methods has recently been of interest for industrial application. Here, a novel strain QC-1 that efficiently transforms 4-hydroxy-2-butanone to(R)-1,3-butanediol was isolated from soil samples. Based on morphological, physiological, and biochemical tests and 5.8 S-internal transcribed spacer sequencing, the strain was identified as Pichia kudriavzevii QC-1. The reaction conditions were optimized to 35 ℃, pH 8.0, rotation speed 200 rpm, and 6:5 mass ratio of glucose to 4-hydroxy-2-butanone. Evaluation of the effects of 4-hydroxy-2-butanone concentrations on yield and cell survival rate showed that 85.60 g·L^-1 product accumulated, with an enantiomeric excess of more than 99%, when 30 g·L^-14-hydroxy-2-butanone was added at 0, 10, and 30 h in a 3-L bioreactor. Thus, strain QC-1 showed excellent catalytic activity and stereoselectivity for the synthesis of(R)-1,3-butanediol from 4-hydroxy-2-butanone.
基金Supported by the Natural Science Foundation of Hubei Province (2006ABB016)Key Science Research Project of Hubei Provincial Department of Education (No.D200724001)the Science Research Project of Yunyang Medical College (No.2008CXG01)
文摘The crystal structure of the title compound 1-(4-fluorophenyl) -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5(1H) -one(C23H21FN4O2S,Mr = 436.5) has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854(3) ,b = 17.2678(4) ,c = 18.1828(5)A,β = 99.364(2) °,V = 4332.58(18) A^3,Z = 4,Dc = 1.338,F(000) =1824,μ = 0.185 mm^-1,MoKa radiation(λ = 0.71073) ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I 〉 2σ(I) . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5(1H) -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.
基金Project supported by the National Technology R&D Program (No. 2011 BAE06B01)
文摘The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl- 1 - (1 H- 1,2,4-triazol- 1 -yl)butan-2-one with 1 -(2-fluorophenyl)thiourea, and its crystal struc- ture was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a = 15.2568(6), b = 12.1533(5), c = 16.7307(7) A, Z = 8, V = 3102.2(2) A3, Mr = 317.39, Dc = 1.359 g/cm3, S = 1.05, μ = 0.223 mm-1, F(000) = 1328, the final R = 0.034 and wR = 0.097 for 2590 observed reflections (I 〉 2σ(I)). X-ray crystal structure presents the intramolecular N-H…N hydrogen bond, which plays an important role in stabilizing the crystal structure. In addition, the preliminary biological test on the title compound shows good antitumor activity, with IC50 of 0.122 μmol/mL against the Hela cell line.
基金Supported by Jilin Province Science and Technology Development projects (No. 20100549)
文摘A new 1D coordination polymer, [Pb(L)(cis-1,4-chdc)]·0.5H2O (cis-1,4-chdc = 1,4-cyclohexanedicarboxylate and L = 2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline), has been synthesized under hydrothermal conditions and characterized by elemental analysis, TG and single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a = 9.153(5), b = 10.338(5), c = 13.074(5), α = 80.956(5), β = 89.725(5), γ = 80.534(5)°, V = 1204.8(10)3 , Z = 1, C54H44F2N8O9Pb2 , Mr = 1401.35, Dc = 1.931 g/cm3 , F(000) = 678, μ(MoKa) = 7.055 mm-1 , R = 0.0277 and wR = 0.0559. Each cis-1,4-chdc anion coordinates with two Pb(Ⅱ) atoms in a bis-chelating coordination mode. In this way, cis-1,4-chdc anions bridged the neighboring Pb(Ⅱ) atoms to generate a 1D chain structure. The L ligands from neighboring chains are paired through the strong π-π interactions to generate a fascinating 2D supramolecular layer.
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.