The similarities of The mass spectra of any two isomers (n and m) are represented by a similarity index [SI(n, m)]. The similarity index is calculated using a novel formula: SI(n, m) ={min[R(n, i), R(m, i)] / max[R(n,...The similarities of The mass spectra of any two isomers (n and m) are represented by a similarity index [SI(n, m)]. The similarity index is calculated using a novel formula: SI(n, m) ={min[R(n, i), R(m, i)] / max[R(n, j), R(m, i)]} 100 Where R(n, j) and R(m, j) are The intensity ratio of a fragment pair (j); j is an ordinal number which is arbitrarily assigned to a selected pair of fragments. The value of similarity index ranges from 0 to 100, when n = m, The SI(n, m) = 100. Similarity indices of mass spectra of isomeric tetradecadien-1-ols were calculated by The "min.-max." Fuzzy similarity analysis. The universality of The method was confirmed by The testing with mass spectra of ten isomers of tetradecadien-1-ols.展开更多
An orthogonal experiment design is adopted for studying the macroscopic reaction kinetics of hydroformylation of 1-dodecene catalyzed by water-soluble rhodium complex. The experimental data of reaction rate and n∶i a...An orthogonal experiment design is adopted for studying the macroscopic reaction kinetics of hydroformylation of 1-dodecene catalyzed by water-soluble rhodium complex. The experimental data of reaction rate and n∶i aldehyde ratio are analysed by margin and variance analyses. The optimal hydroformylation reaction conditions are suggested by compromise of initial reaction rate and normal/isomeric ratio of product aldehyde.展开更多
The selective epoxidation of 3,3-(1,2-ethanediyl-bisoxy)-5(10),9(11)-estradiene-17-α-(1-propynyl)-17-β-ol with Fe(Ⅱ)Pc/PhIO was investigated at 25 ℃? atmospheric pressure. With a molar ratio of Fe(Ⅱ)Pc∶compound...The selective epoxidation of 3,3-(1,2-ethanediyl-bisoxy)-5(10),9(11)-estradiene-17-α-(1-propynyl)-17-β-ol with Fe(Ⅱ)Pc/PhIO was investigated at 25 ℃? atmospheric pressure. With a molar ratio of Fe(Ⅱ)Pc∶compound(I)∶PhIO at 6.25∶50∶120, the conversion reaches 100%. The overall yield of the products 5α, 10α-epoxide(2) and 5β, 10β-epoxide(3)is 60%, and the molar ratio of 2 to 3 is {8.39∶}1. The product 5α, 10α-epoxide is identified by melting point and HPLC.展开更多
文摘The similarities of The mass spectra of any two isomers (n and m) are represented by a similarity index [SI(n, m)]. The similarity index is calculated using a novel formula: SI(n, m) ={min[R(n, i), R(m, i)] / max[R(n, j), R(m, i)]} 100 Where R(n, j) and R(m, j) are The intensity ratio of a fragment pair (j); j is an ordinal number which is arbitrarily assigned to a selected pair of fragments. The value of similarity index ranges from 0 to 100, when n = m, The SI(n, m) = 100. Similarity indices of mass spectra of isomeric tetradecadien-1-ols were calculated by The "min.-max." Fuzzy similarity analysis. The universality of The method was confirmed by The testing with mass spectra of ten isomers of tetradecadien-1-ols.
文摘An orthogonal experiment design is adopted for studying the macroscopic reaction kinetics of hydroformylation of 1-dodecene catalyzed by water-soluble rhodium complex. The experimental data of reaction rate and n∶i aldehyde ratio are analysed by margin and variance analyses. The optimal hydroformylation reaction conditions are suggested by compromise of initial reaction rate and normal/isomeric ratio of product aldehyde.
文摘The selective epoxidation of 3,3-(1,2-ethanediyl-bisoxy)-5(10),9(11)-estradiene-17-α-(1-propynyl)-17-β-ol with Fe(Ⅱ)Pc/PhIO was investigated at 25 ℃? atmospheric pressure. With a molar ratio of Fe(Ⅱ)Pc∶compound(I)∶PhIO at 6.25∶50∶120, the conversion reaches 100%. The overall yield of the products 5α, 10α-epoxide(2) and 5β, 10β-epoxide(3)is 60%, and the molar ratio of 2 to 3 is {8.39∶}1. The product 5α, 10α-epoxide is identified by melting point and HPLC.
