Oil dispersible suspension concentrates are safe,green,and environmentally friendly formulations.Problems such as layering,pasting,and bottoming are frequently encountered during the production,storage,and transportat...Oil dispersible suspension concentrates are safe,green,and environmentally friendly formulations.Problems such as layering,pasting,and bottoming are frequently encountered during the production,storage,and transportation process.Polyisobutylene succinimide functions as a dispersant and exhibits great potential to improve the physical stability of the oil dispersible suspension concentrate.From a microscopic perspective,the sorption characteristics of the polyisobutylene succinimide dispersant T151 on penoxsulam particle surfaces were comprehensively evaluated with XPS,FTIR,and SEM.The T151 adsorption procedure complied with a pseudo-second-order kinetic adsorption model,and it was a kind of physical sorption with an Ea of 22.57 kJ⋅mol^(−1).The T151 sorption model was consistent with the Langmuir isotherm.The adsorption process was spontaneous and followed by an entropy increase.TheΔH^(θ)of dispersant T151 on the surface of penoxsulam particles was 31.59 kJ⋅mol^(−1).The adsorption procedure was endothermic,and the primary force was hydrogen bonding.The XPS results showed that the F and S electronic peaks at the penoxsulam interface decreased,and that the C electronic peak increased significantly after the adsorption of dispersant T151,indicating the adsorption on the surface of penoxsulam particles.The results of this study provide a vital theoretical basis for the application of polyisobutylene succinimide dispersants in oil dispersible suspension systems.展开更多
Racemization of aspartic acid (Asp) residues in proteins plays an important role in the molecular biology of aging. In the widely accepted mechanism of the Asp racemization, a succinimide (SI) intermediate is the spec...Racemization of aspartic acid (Asp) residues in proteins plays an important role in the molecular biology of aging. In the widely accepted mechanism of the Asp racemization, a succinimide (SI) intermediate is the species which actually undergo the direct racemization. In the present study, a two-water-assisted mechanism of the SI racemization was computationally investigated using a model compound in which an aminosuccinyl (Asu) residue is capped with acetyl and NMe groups on the N-and C-termini, respectively. The two water molecules catalyze the enolization of the Hα-Cα-C=O portion in the Asu residue by mediating proton relay from the α-carbon atom to the carboxyl oxygen atom. After the enolization, migration of the water molecules and conformational change lead to the mirror image of the initially formed enol two-water complex, and the racemization is completed by the following ketonization. The overall activation barrier (28.2 kcal·mol-1) corresponds to the enolization and ketonization steps, and falls within the available experimental activation energies (21.4-29.0 kcal·mol-1). Therefore, the two-water-assisted mechanism investigated here is plausible for the in vivo and in vitro racemization reactions of the SI intermediates formed in peptides and proteins.展开更多
N-(5-phenylseleno)pentyl succinimide 1, C15H19NO2Se (Mr = 324.27), was prepared by treating Br(CH2)5SePh with potassium succinimide. Its crystal structure has been determined by X-ray single-crystal diffraction. The c...N-(5-phenylseleno)pentyl succinimide 1, C15H19NO2Se (Mr = 324.27), was prepared by treating Br(CH2)5SePh with potassium succinimide. Its crystal structure has been determined by X-ray single-crystal diffraction. The crystal of 1 belongs to monoclinic system, space group P21/c with the crystal cell parameters: a = 18.018(6), b = 5.980(2), c = 14.682(5) ? = 109.977(6)? V = 1486.7(9) 3, Z = 4, Dc = 1.449 g/cm3, (MoK? = 2.523 mm-1, F(000) = 664,the final R = 0.0302 and wR = 0.0666 for 2623 independent observed reflections with I > 2(I). Structure analyses revealed that there exist strong nonclassical hydrogen bonds (CH…O).展开更多
The title crystal of 2-germatranylmethyl-N- (4'-methylphenyl)succinimide (C18H24GeN2O5) was determined by single crystal X-ray diffraction- The crystalbelongs to the orthorhombic system, space group P212121 with M...The title crystal of 2-germatranylmethyl-N- (4'-methylphenyl)succinimide (C18H24GeN2O5) was determined by single crystal X-ray diffraction- The crystalbelongs to the orthorhombic system, space group P212121 with Mr = 420. 99, a= 6. 716(1), b=22- 860(8), c= 11. 891 (3) A, V= 1826(1) A3, Z=4,Dx= 1. 53 Mg. m-3,A= 0. 71073A, μ= 1. 684 mm-l, and F(000) =872. The structure was solved by direct methods. The final refinement is converged with unweighted and weighted agreement factors of 0. 047 and 0. 064 for 1610 observed reflections with I≥3δ(I). The results of structure analysis indicate that the framework of this five-coordinated germanium compound is a distorted trigonal bipyramid(TBP).展开更多
In this paper a modified two-step procedure for synthesis of N-（1-naphthyl） suecinimide （NaS） was developed, and the molecular structure of NaS was properly characterized by XRD, FT-IR, 1H NMR, DSC, etc. The resul...In this paper a modified two-step procedure for synthesis of N-（1-naphthyl） suecinimide （NaS） was developed, and the molecular structure of NaS was properly characterized by XRD, FT-IR, 1H NMR, DSC, etc. The results show that the melting point of our product is 159 ℃-160.5 ℃, and the characteristic infrared absorption band of carbonyl group splits into two peaks （1705cm^-3/1779cm^-3）, which are found to be quite different from the documented data （rap 147℃ -149℃; IR C=0-1700cm^-3）. Besides, photophysical spectroscopy was found to be powerful to study the molecular structure and crystal morphology of NaS compound.展开更多
基金This work was funded by the Foundation(No.LJ2020030)from the Project of the Education Department of Liaoning Province,China.
文摘Oil dispersible suspension concentrates are safe,green,and environmentally friendly formulations.Problems such as layering,pasting,and bottoming are frequently encountered during the production,storage,and transportation process.Polyisobutylene succinimide functions as a dispersant and exhibits great potential to improve the physical stability of the oil dispersible suspension concentrate.From a microscopic perspective,the sorption characteristics of the polyisobutylene succinimide dispersant T151 on penoxsulam particle surfaces were comprehensively evaluated with XPS,FTIR,and SEM.The T151 adsorption procedure complied with a pseudo-second-order kinetic adsorption model,and it was a kind of physical sorption with an Ea of 22.57 kJ⋅mol^(−1).The T151 sorption model was consistent with the Langmuir isotherm.The adsorption process was spontaneous and followed by an entropy increase.TheΔH^(θ)of dispersant T151 on the surface of penoxsulam particles was 31.59 kJ⋅mol^(−1).The adsorption procedure was endothermic,and the primary force was hydrogen bonding.The XPS results showed that the F and S electronic peaks at the penoxsulam interface decreased,and that the C electronic peak increased significantly after the adsorption of dispersant T151,indicating the adsorption on the surface of penoxsulam particles.The results of this study provide a vital theoretical basis for the application of polyisobutylene succinimide dispersants in oil dispersible suspension systems.
文摘Racemization of aspartic acid (Asp) residues in proteins plays an important role in the molecular biology of aging. In the widely accepted mechanism of the Asp racemization, a succinimide (SI) intermediate is the species which actually undergo the direct racemization. In the present study, a two-water-assisted mechanism of the SI racemization was computationally investigated using a model compound in which an aminosuccinyl (Asu) residue is capped with acetyl and NMe groups on the N-and C-termini, respectively. The two water molecules catalyze the enolization of the Hα-Cα-C=O portion in the Asu residue by mediating proton relay from the α-carbon atom to the carboxyl oxygen atom. After the enolization, migration of the water molecules and conformational change lead to the mirror image of the initially formed enol two-water complex, and the racemization is completed by the following ketonization. The overall activation barrier (28.2 kcal·mol-1) corresponds to the enolization and ketonization steps, and falls within the available experimental activation energies (21.4-29.0 kcal·mol-1). Therefore, the two-water-assisted mechanism investigated here is plausible for the in vivo and in vitro racemization reactions of the SI intermediates formed in peptides and proteins.
基金This work was supported by the NNSFC (No. 29832030)
文摘N-(5-phenylseleno)pentyl succinimide 1, C15H19NO2Se (Mr = 324.27), was prepared by treating Br(CH2)5SePh with potassium succinimide. Its crystal structure has been determined by X-ray single-crystal diffraction. The crystal of 1 belongs to monoclinic system, space group P21/c with the crystal cell parameters: a = 18.018(6), b = 5.980(2), c = 14.682(5) ? = 109.977(6)? V = 1486.7(9) 3, Z = 4, Dc = 1.449 g/cm3, (MoK? = 2.523 mm-1, F(000) = 664,the final R = 0.0302 and wR = 0.0666 for 2623 independent observed reflections with I > 2(I). Structure analyses revealed that there exist strong nonclassical hydrogen bonds (CH…O).
文摘The title crystal of 2-germatranylmethyl-N- (4'-methylphenyl)succinimide (C18H24GeN2O5) was determined by single crystal X-ray diffraction- The crystalbelongs to the orthorhombic system, space group P212121 with Mr = 420. 99, a= 6. 716(1), b=22- 860(8), c= 11. 891 (3) A, V= 1826(1) A3, Z=4,Dx= 1. 53 Mg. m-3,A= 0. 71073A, μ= 1. 684 mm-l, and F(000) =872. The structure was solved by direct methods. The final refinement is converged with unweighted and weighted agreement factors of 0. 047 and 0. 064 for 1610 observed reflections with I≥3δ(I). The results of structure analysis indicate that the framework of this five-coordinated germanium compound is a distorted trigonal bipyramid(TBP).
基金Natural Science Foundation of China (50273014, 29928003)Natural Science Foundation of Tianjin (03380261).
文摘In this paper a modified two-step procedure for synthesis of N-（1-naphthyl） suecinimide （NaS） was developed, and the molecular structure of NaS was properly characterized by XRD, FT-IR, 1H NMR, DSC, etc. The results show that the melting point of our product is 159 ℃-160.5 ℃, and the characteristic infrared absorption band of carbonyl group splits into two peaks （1705cm^-3/1779cm^-3）, which are found to be quite different from the documented data （rap 147℃ -149℃; IR C=0-1700cm^-3）. Besides, photophysical spectroscopy was found to be powerful to study the molecular structure and crystal morphology of NaS compound.
