Specialized pro-resolving mediators provide promising targets for new drugs and natural products. Much work has been accomplished on the structure/ function of the lipoxygenase and cyclooxygenase enzymes but not on th...Specialized pro-resolving mediators provide promising targets for new drugs and natural products. Much work has been accomplished on the structure/ function of the lipoxygenase and cyclooxygenase enzymes but not on the substrates. A better visualization of three-dimensional lipid structures will allow increased refinement of the interactions that produce the pro-resolving mediators, and lead to improvements in synthetic pathways. We present systematic analysis of oleic (18:1n-9), linoleic (18:2n-6), alpha-linolenic (18:3n-3), arachidonic (20:4n-6), docosapentaenoic (22:5n-3), and docosahexaenoic (22:6n-3) acids. Continuous gradient temperature Raman spectroscopy (GTRS) applies the temperature gradients utilized in differential scanning calorimetry to Raman spectroscopy. GTRS can identify and differentiate specific carbon chain sites, finally allowing Raman analysis to explain why the long-chain polyunsaturated fatty acids (LC-PUFA) exhibit such extreme functional differences despite minimal changes in chemical structure. Detailed vibrational analysis of the important frequency ranges 1450 - 1200 cm-1 (includes CH2 bending and twisting) and 1750 - 1425 cm-1 (includes C=C stretching and C-C stretching plus H-C in-plane rocking) shows for the first time that each molecule has its own characteristic set of modes with only some redundancy/commonality. The number and frequency of modes correlates with three-dimensional molecular structure, not the degree of unsaturation. The high degree of specificity of lipoxygenase and cyclooxygenase enzymes should be reconsidered in light of the fact that individual sites on the polyunsaturated fatty acid chain are nonequivalent, and each LC-PUFA molecule has an individual, specific three dimensional structure incorporating torsion.展开更多
The void closure behavior in a central extra-thick plate during the gradient temperature rolling was simulated and a back propagation(BP)neural network model was established.The thermal–mechanical finite element mode...The void closure behavior in a central extra-thick plate during the gradient temperature rolling was simulated and a back propagation(BP)neural network model was established.The thermal–mechanical finite element model of the gradient temperature rolling process was first developed and validated.The prediction error of the model for the rolling force is less than 2.51%,which has provided the feasibility of imbedding a defect in it.Based on the relevant data obtained from the simulation,the BP neural network was used to establish a prediction model for the compression degree of a void defect.After statistical analysis,80%of the data had a hit rate higher than 95%,and the hit rate of all data was higher than 90%,which indicates that the BP neural network can accurately predict the compression degree.Meanwhile,the comparisons between the results with the gradient temperature rolling and uniform temperature rolling,and between the results with the single-pass rolling and multi-pass rolling were discussed,which provides a theoretical reference for developing process parameters in actual production.展开更多
文摘Specialized pro-resolving mediators provide promising targets for new drugs and natural products. Much work has been accomplished on the structure/ function of the lipoxygenase and cyclooxygenase enzymes but not on the substrates. A better visualization of three-dimensional lipid structures will allow increased refinement of the interactions that produce the pro-resolving mediators, and lead to improvements in synthetic pathways. We present systematic analysis of oleic (18:1n-9), linoleic (18:2n-6), alpha-linolenic (18:3n-3), arachidonic (20:4n-6), docosapentaenoic (22:5n-3), and docosahexaenoic (22:6n-3) acids. Continuous gradient temperature Raman spectroscopy (GTRS) applies the temperature gradients utilized in differential scanning calorimetry to Raman spectroscopy. GTRS can identify and differentiate specific carbon chain sites, finally allowing Raman analysis to explain why the long-chain polyunsaturated fatty acids (LC-PUFA) exhibit such extreme functional differences despite minimal changes in chemical structure. Detailed vibrational analysis of the important frequency ranges 1450 - 1200 cm-1 (includes CH2 bending and twisting) and 1750 - 1425 cm-1 (includes C=C stretching and C-C stretching plus H-C in-plane rocking) shows for the first time that each molecule has its own characteristic set of modes with only some redundancy/commonality. The number and frequency of modes correlates with three-dimensional molecular structure, not the degree of unsaturation. The high degree of specificity of lipoxygenase and cyclooxygenase enzymes should be reconsidered in light of the fact that individual sites on the polyunsaturated fatty acid chain are nonequivalent, and each LC-PUFA molecule has an individual, specific three dimensional structure incorporating torsion.
基金supported by the National Natural Science Foundation of China(Grant Nos.U1960105,52074187,and 52274388).
文摘The void closure behavior in a central extra-thick plate during the gradient temperature rolling was simulated and a back propagation(BP)neural network model was established.The thermal–mechanical finite element model of the gradient temperature rolling process was first developed and validated.The prediction error of the model for the rolling force is less than 2.51%,which has provided the feasibility of imbedding a defect in it.Based on the relevant data obtained from the simulation,the BP neural network was used to establish a prediction model for the compression degree of a void defect.After statistical analysis,80%of the data had a hit rate higher than 95%,and the hit rate of all data was higher than 90%,which indicates that the BP neural network can accurately predict the compression degree.Meanwhile,the comparisons between the results with the gradient temperature rolling and uniform temperature rolling,and between the results with the single-pass rolling and multi-pass rolling were discussed,which provides a theoretical reference for developing process parameters in actual production.
