Fourteen conformers of 3-amino-1-propanol as the minima on the potential energy surface are examined at the MP2/6-311＋＋G＊＊ level. Their relative energies calculated at B3LYP, MP3 and MP4 levels of theory indicated...Fourteen conformers of 3-amino-1-propanol as the minima on the potential energy surface are examined at the MP2/6-311＋＋G＊＊ level. Their relative energies calculated at B3LYP, MP3 and MP4 levels of theory indicated that two most stable conformers display the intramolecular OH - N hydrogen bonds. The vertical ionization energies of these conformers calculated with ab initio electron propagator theory in the P3/aug-cc-pVTZ approximation are in agreement with experimental data from photoelectron spectroscopy. Natural bond orbital analyses were used to explain the differences of IEs of the highest occupied molecular ortibal of conformers. Combined with statistical mechanics principles, conformational distributions at various temperatures are obtained and the temperature dependence of photoelectron spectra is interpreted.展开更多
Eleven 1-(1H-1,2,4-triazole)-2-(2,4-diflurophenyl)-3-(N-methyl-N-substituted benzylamino)-2-propanols were designed and synthesized, on the basis of the crystal structure of P450 cytochrome 14α-sterol demethylase(CYP...Eleven 1-(1H-1,2,4-triazole)-2-(2,4-diflurophenyl)-3-(N-methyl-N-substituted benzylamino)-2-propanols were designed and synthesized, on the basis of the crystal structure of P450 cytochrome 14α-sterol demethylase(CYP51) and the docking results of inhibitors to the active site of the enzyme. All title compounds were first by reported. Results of preliminary biological tests showed that most of title compounds exhibited activity against the seven common pathogenic fungi. Compound 11 showed best antifungal activity with broad antifungal spectrum and proved to be more active against Cryptococcus neoformans, Candida albicans, Microsporum lanosum and Trichophyton rubrum than ketoconazole. Compounds 3, 10 and 4 also had high activities.展开更多
A new hemA gene encoding 5-aminolevulinate (ALA) synthase was cloned from Agrobacterium ra- diobacter zju-0121. The ALA synthase catalyzes the pyridoxal phosphate-dependent condensation of succinyl coen- zyme A (succi...A new hemA gene encoding 5-aminolevulinate (ALA) synthase was cloned from Agrobacterium ra- diobacter zju-0121. The ALA synthase catalyzes the pyridoxal phosphate-dependent condensation of succinyl coen- zyme A (succinyl-CoA) and glycine to produce ALA. Four plasmids carrying the A, radiobacter hemA gene were transformed into different E. coli strains. The effects of both genetic and physiological factors on the expression of ALA synthase and ALA production were studied. The results indicated that the final intracellular activity of ALA synthase and the production of ALA in different expression systems varied largely. Among them, the recombinant E. coli BL21 (DE3) harboring the expression plasmid pET28-A. R-hemA was the most suitable one. The effects of isopropyl-β-D-thiogalactopyranoside (IPTG) addition time, IPTG concentration, culture temperature and the initial concentration of precursors and glucose on the ALA production were also evaluated. The expressed ALA synthase accounted for about 23.7% of the intracellular soluble protein. The highest specific activity of ALA syn- thase was 13.8nmol·min-1·mg-1 of intracellular soluble protein. In the batch culture of the recombinant E. coli, the extracellular ALA concentration reached 0.9 g·L-1.展开更多
Excessive alcohol consumption leads to liver disease. Extensive evidence suggests that C-phycocyanin(C-PC), a chromophore phycocyanobilin derived from Spirulina platensis, exerts protective eff ects against chemical-i...Excessive alcohol consumption leads to liver disease. Extensive evidence suggests that C-phycocyanin(C-PC), a chromophore phycocyanobilin derived from Spirulina platensis, exerts protective eff ects against chemical-induced organ damage. In this study, we investigated whether C-PC could protect against ethanol-induced acute liver injury. Serum alanine aminotransferase(ALT), aspartate aminotransferase(AST), triglyceride(TG), total cholesterol(CHOL), low-density lipoprotein(LDL), liver homogenate malondialdehyde(MDA), superoxide dismutase(SOD) content were measured, and pathological examination of liver sections were examined. C-PC showed obvious inhibitory eff ects on serum ALT, AST, TG, CHOL, LDL and MDA, and SOD content significantly increased in the liver. The structure of hepatic lobules was clear, liver sinus returned to normal, and liver cell cords were arranged in neat rows. Cloudiness, swelling, inflammatory cell infiltration and spotty necrosis of liver cells were significantly reduced. Therefore, C-PC can significantly protect against ethanol-induced acute liver injury.展开更多
The racemic phenylalanine has been separated by (R)-mandelic acid through the formation of diastereomeric molecular complex. The crystal of the title chiral complex (C8H8O3 C9H11NO2, Mr = 317.33) belongs to monoclinic...The racemic phenylalanine has been separated by (R)-mandelic acid through the formation of diastereomeric molecular complex. The crystal of the title chiral complex (C8H8O3 C9H11NO2, Mr = 317.33) belongs to monoclinic, space group C2 with a = 19.391(3), b = 5.715(4), c = 15.755(3) ? b = 115.23(1), V = 1579(1) 3, Z = 4, Dc = 1.335 g/cm3, F(000) = 672, m = 0.099 mm-1, R = 0.033 and wR = 0.060 for 1278 observed reflections (I > 2s(I)). The complex consists of (R)-mandelic acid and (R)-phenylalanine in 1:1 molar ratio, and the complex molecules form layered crystal structure by self-assembly through intermolecular H-bonding between carboxyl and carboxylate of the neighboring molecules.展开更多
A novel phenanthrene (PHE)-degrading strain named as Sphingomonas sp.GF2B was isolated and identified from a farmland soil.Effects of a synthetic surfactant (Tween-80) and a rhamnolipid biosurfactant on PHE degradatio...A novel phenanthrene (PHE)-degrading strain named as Sphingomonas sp.GF2B was isolated and identified from a farmland soil.Effects of a synthetic surfactant (Tween-80) and a rhamnolipid biosurfactant on PHE degradation by Sphin- gomonas sp.GF2B were investigated at different concentrations of the surfactants.The results showed that Sphingomonas sp.GF2B was able to mineralize up to 83.6% of PHE within 10 days without addition of surfactants.The addition of Tween-80 to the reaction medium inhibited greatly PHE biodegradation,with only 33.5% of PHE degraded.However,the biosurfactant facilitated PHE biodegradation,with up to 99.5% of PHE degraded.The preferential utilization of PHE as a carbon source and the enhanced solubility of PHE by the biosurfactant were likely responsible for the higher biodegra- dation efficiency of PHE in the presence of the biosurfactant.Therefore,it could be concluded that the application of the biosurfactant to PHE-contaminated soils was perhaps a feasible way to facilitate the PHE biodegradation.展开更多
基金This work was supported by the Province Natural Science Foundation of Henan （No.082300410030）, the Foundation of Henan Educational Committee （No.2011A140015）, and the Doctoral Research Pund of Henan Normal University （No.525449）.
文摘Fourteen conformers of 3-amino-1-propanol as the minima on the potential energy surface are examined at the MP2/6-311＋＋G＊＊ level. Their relative energies calculated at B3LYP, MP3 and MP4 levels of theory indicated that two most stable conformers display the intramolecular OH - N hydrogen bonds. The vertical ionization energies of these conformers calculated with ab initio electron propagator theory in the P3/aug-cc-pVTZ approximation are in agreement with experimental data from photoelectron spectroscopy. Natural bond orbital analyses were used to explain the differences of IEs of the highest occupied molecular ortibal of conformers. Combined with statistical mechanics principles, conformational distributions at various temperatures are obtained and the temperature dependence of photoelectron spectra is interpreted.
文摘Eleven 1-(1H-1,2,4-triazole)-2-(2,4-diflurophenyl)-3-(N-methyl-N-substituted benzylamino)-2-propanols were designed and synthesized, on the basis of the crystal structure of P450 cytochrome 14α-sterol demethylase(CYP51) and the docking results of inhibitors to the active site of the enzyme. All title compounds were first by reported. Results of preliminary biological tests showed that most of title compounds exhibited activity against the seven common pathogenic fungi. Compound 11 showed best antifungal activity with broad antifungal spectrum and proved to be more active against Cryptococcus neoformans, Candida albicans, Microsporum lanosum and Trichophyton rubrum than ketoconazole. Compounds 3, 10 and 4 also had high activities.
基金Supported by the National Natural Science Foundation of China (No. 20306026)
文摘A new hemA gene encoding 5-aminolevulinate (ALA) synthase was cloned from Agrobacterium ra- diobacter zju-0121. The ALA synthase catalyzes the pyridoxal phosphate-dependent condensation of succinyl coen- zyme A (succinyl-CoA) and glycine to produce ALA. Four plasmids carrying the A, radiobacter hemA gene were transformed into different E. coli strains. The effects of both genetic and physiological factors on the expression of ALA synthase and ALA production were studied. The results indicated that the final intracellular activity of ALA synthase and the production of ALA in different expression systems varied largely. Among them, the recombinant E. coli BL21 (DE3) harboring the expression plasmid pET28-A. R-hemA was the most suitable one. The effects of isopropyl-β-D-thiogalactopyranoside (IPTG) addition time, IPTG concentration, culture temperature and the initial concentration of precursors and glucose on the ALA production were also evaluated. The expressed ALA synthase accounted for about 23.7% of the intracellular soluble protein. The highest specific activity of ALA syn- thase was 13.8nmol·min-1·mg-1 of intracellular soluble protein. In the batch culture of the recombinant E. coli, the extracellular ALA concentration reached 0.9 g·L-1.
基金Supported by the National Special Research Fund for Non-Profit Marine Sector(No.201205027)the Taishan Scholar Program of Shandong Province
文摘Excessive alcohol consumption leads to liver disease. Extensive evidence suggests that C-phycocyanin(C-PC), a chromophore phycocyanobilin derived from Spirulina platensis, exerts protective eff ects against chemical-induced organ damage. In this study, we investigated whether C-PC could protect against ethanol-induced acute liver injury. Serum alanine aminotransferase(ALT), aspartate aminotransferase(AST), triglyceride(TG), total cholesterol(CHOL), low-density lipoprotein(LDL), liver homogenate malondialdehyde(MDA), superoxide dismutase(SOD) content were measured, and pathological examination of liver sections were examined. C-PC showed obvious inhibitory eff ects on serum ALT, AST, TG, CHOL, LDL and MDA, and SOD content significantly increased in the liver. The structure of hepatic lobules was clear, liver sinus returned to normal, and liver cell cords were arranged in neat rows. Cloudiness, swelling, inflammatory cell infiltration and spotty necrosis of liver cells were significantly reduced. Therefore, C-PC can significantly protect against ethanol-induced acute liver injury.
基金The work was supported by the National Natural Science Foundation of China (29973036)
文摘The racemic phenylalanine has been separated by (R)-mandelic acid through the formation of diastereomeric molecular complex. The crystal of the title chiral complex (C8H8O3 C9H11NO2, Mr = 317.33) belongs to monoclinic, space group C2 with a = 19.391(3), b = 5.715(4), c = 15.755(3) ? b = 115.23(1), V = 1579(1) 3, Z = 4, Dc = 1.335 g/cm3, F(000) = 672, m = 0.099 mm-1, R = 0.033 and wR = 0.060 for 1278 observed reflections (I > 2s(I)). The complex consists of (R)-mandelic acid and (R)-phenylalanine in 1:1 molar ratio, and the complex molecules form layered crystal structure by self-assembly through intermolecular H-bonding between carboxyl and carboxylate of the neighboring molecules.
基金Supported by the National Natural Science Foundation of China (No. 20377024)the National High Technology Research and Development Program (863 Program) of China (Nos. 2007AA061101 and 2009AA063103)
文摘A novel phenanthrene (PHE)-degrading strain named as Sphingomonas sp.GF2B was isolated and identified from a farmland soil.Effects of a synthetic surfactant (Tween-80) and a rhamnolipid biosurfactant on PHE degradation by Sphin- gomonas sp.GF2B were investigated at different concentrations of the surfactants.The results showed that Sphingomonas sp.GF2B was able to mineralize up to 83.6% of PHE within 10 days without addition of surfactants.The addition of Tween-80 to the reaction medium inhibited greatly PHE biodegradation,with only 33.5% of PHE degraded.However,the biosurfactant facilitated PHE biodegradation,with up to 99.5% of PHE degraded.The preferential utilization of PHE as a carbon source and the enhanced solubility of PHE by the biosurfactant were likely responsible for the higher biodegra- dation efficiency of PHE in the presence of the biosurfactant.Therefore,it could be concluded that the application of the biosurfactant to PHE-contaminated soils was perhaps a feasible way to facilitate the PHE biodegradation.
