Group equivalence

Acyclic Core Group Equivalents of Cyclic Functional Groups.67... 

Functional group Equivalents. Functional groups from which a particular functional group can be produced chemically. 

To characterize heteroanalogous alkanesulfonates in which one or more carbon atoms of the alkane chain are replaced by, for example, oxygen, sulfur, or nitrogen, methylene group equivalent values ME are useful ... 

DOG, Canis familiaris Fed diets containing 0.3, 3, 15, or 30 mg chlordane/kg food for 2 years Daily oral dose ranging between 5 and 200 mg/kg BW Single oral dose of 200-700 mg/kg BW Liver abnormalities in 15- and 30-mg/kg groups no adverse effects at lower doses on behavior, appearance, survival, weight gain, or blood chemistry. In the 3-mg/kg group, equivalent to 0.075 mg/kg BW daily, maximum residue in fat was 3.6 mg/kg (NRCC 1975 WHO 1984 USEPA 1988) Dose-dependent mortality. All died between 25 days and 93 weeks (WHO 1984) No deaths (WHO 1984)... 

This test could be considered as a two group equivalent of the Bartlett s test. 

Next, we solvate all the functional groups (equivalently, we turn on the interactions U(k, X,) that were turned off in the first step]. One way to do this is to solvate all the functional groups simultaneously. The resulting free-energy change would be AG and the total solvation Gibbs energy would have been written... 

Wiberg. K. B., Group equivalents for converting ab initio energies to enthalpies of formation, J. Comp. Chem. 5, 197 (1984). 

Abstract Chronological studies of kimberlite-host rocks in the diamondiferous Buffalo Head Hills kimberlite field of north-central Alberta facilitate new interpretation of the nature, timing and sequence of kimberlite eruptions in northern Alberta. Three different emplacement episodes are recognized in association with volcanic and intrusive activity Late Cretaceous ( 88-81 Ma) Smoky Group equivalent intra- and extra-crater facies, Late Cretaceous and Paleocene ( 81 and 64 Ma) intrusion of sills or dykes, and Paleocene ( 60 Ma) Paskapoo Formation equivalent intra-crater facies. These specific periods of magmatism correspond to characteristic intra-field features such as spatial distribution, rock classification and diamond content. 

Late Cretaceous Smoky Group Equivalent Intra- and Extra-Crater Facies... 

The regiochemistry of the reaction of unsymmetrical allylic esters was addressed by the introduction of a silyl group, equivalent to H, on the carbon of the allylic terminus. Eor example, 25 bearing a BuMe2Si group afforded 26 as the sole product in the three-component coupling. Since the subsequent protodesilylation of 26 selectively formed 27 (Scheme 6.6), this sequential procedure provides a practical method to control the regiochemistry in the substitution of unsymmetrical allylic substrates [13 c]. 

The heat of formation of a compound may be derived from the results of these calculations in several different ways. First, it is possible to calculate a set of group equivalents using the same level of theory as used for the compound in question. Then,... 

As an example, the heat of formation of cyclopentane in the gas phase is 18.4 kcal/mol. The Franklin group equivalent for CH2 is —4.93 kcaFmol, and thus an unstrained model for cyclopentane is five times this quantity or —24.6 kcaF mol. The difference between the two values gives the strain energy as 6.2 kcal/ mol. The strain energies given in Figure 15.1 were obtained in this way. 

Liver abnormalities in 15- and 30-mg/kg groups no adverse effects at lower doses on behavior, appearance, survival, weight gain, or blood chemistry. In the 3-mg/kg group, equivalent to 0.075 mg/kg BW daily, maximum residue in fat was 3.6 mg/kg (NRCC 1975 WHO 1984 USEPA 1988)... 

Any reaction in Eqs. (1) may be written as a conventional chemical equation by setting it equal to zero and transposing the negative terms to the other side of the equation. This notation has been discussed by Aris (14). Chemical equality, denoted by the symbol has been shown by Sellers (15) to be a group equivalence, thus satisfying ordinary rules of mathematical equality. Except when specific reservations are stated, every reaction is assumed to be reversible, that is, to be capable of any real rate of advancement, positive or negative. 

Distribution of amine functional groups equivalent to epoxide functionality. 

Amine and Aminophenol Derivatives. Amines and aminophenols (Table VIII) react with the F-C reagent about as predicted considering the aromatic amino groups equivalent to phenolic hydroxyls. This would be an important interference with total phenol assay in samples with appreciable aromatic amine content. Fortunately, for this and other reasons as well, the major wine grapes and most other fruit and vegetable products are free of significant concentrations of aromatic amines which would interfere. Correction might be made for methyl anthranilate... 

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