Functional groups, definition

Organic functional groups definition and structural features... 

The structure-based pharmacophore was built using the crystallographic coordinates of argatroban complexed with thrombin [101] and the functional group definitions contained within the CATALYST software to predict the effects on the K[ values of structural modification of a set of homologous 4-aminopyridine (4-AP) thrombin inhibitors. 

Functional Group Definition for Surface Reaction Mechanism... 

In Chap. 5, p was defined as the fraction (or probability) of functional groups that had reacted at a certain point in the polymerization. According to the current definition provided by Eq. (6.66), p is the fraction (or probability) of propagation steps among the combined total of propagation and termination steps. The quantity 1 - p is therefore the fraction (or... 

Capacity. Capacity is a measure of the quantity of ions, acid, or base removed (adsorbed) by an ion-exchange material. The quantity removed is direcdy correlated with the number of functional groups. Capacity is reported ia several different ways, but requites further definition because the word by itself does not cover ad situations. Total capacity is a measure of ad the functional groups on a resia and is recorded on a weight as wed as a volume basis. 

Cycloaliphatic amines are comprised of a cyclic hydrocarbon stmctural component and an amine functional group external to that ring. Included in an extended cycloaUphatic amine definition ate aminomethyl cycloaUphatics. Although some cycloaUphatic amine and diamine products have direct end use apphcations, their major function is as low cost organic intermediates sold as moderate volume specification products. 

As in any new field, new structures demand novel names. As the variety of structures has increased, the names have kept pace. Although some may be dismayed by this, the different names connote not only different structural types or functional groups, but conceptual differences among the various classes as well. In order to introduce the novitiate and perljaps remind the journeyman, we provide a few definitions and explanations herewith. 

Alkenes can add to double bonds in a reaction different from those discussed in 15-19, which, however, is still formally the addition of RH to a double bond. This is called the ene reaction or the ene synthesis For the reaction to proceed without a catalyst, one of the components must be a reactive dienophile (see 15-58 for a definition of this word) such as maleic anhydride, but the other (which supplies the hydrogen) may be a simple alkene such as propene. Cyclopropene has also been used. ° The reaction is compatible with a variety of functional groups that can be appended to the ene and dienophile. N,N-Diallyl amides give an ene cyclization. 

The total number of chains, being by definition equal to half the sum of the unreacted functional groups and the functional groups attached to branch units, is... 

Check of the planarity of functional groups which are by definition planar, e.g., aniline nitrogen, double bonds or amides. 

Cross references to related group or sub-group entries are also included, with a group list of the names and serial (not page) numbers of the chemicals appearing in Volume 1 which lie within the structural or functional scope of the group entry title. Compounds which are closely similar to, but not in strict conformity with, the group definition are indicated by a prefixed asterisk. 

A last definition is needed for N (N0 at time 0), which is the total number of molecules present in the system at any time. With the above definitions, N0 initial molecules correspond to No monomers and No structural units whatever be the chemical species. Each molecule contains on the average one functional group of each kind. Calculations are thus easier and will preferably be performed using structural units. 

In this paper, we presented new information, which should help in optimising disordered carbon materials for anodes of lithium-ion batteries. We clearly proved that the irreversible capacity is essentially due to the presence of active sites at the surface of carbon, which cause the electrolyte decomposition. A perfect linear relationship was shown between the irreversible capacity and the active surface area, i.e. the area corresponding to the sites located at the edge planes. It definitely proves that the BET specific surface area, which represents the surface area of the basal planes, is not a relevant parameter to explain the irreversible capacity, even if some papers showed some correlation with this parameter for rather low BET surface area carbons. The electrolyte may be decomposed by surface functional groups or by dangling bonds. Coating by a thin layer of pyrolytic carbon allows these sites to be efficiently blocked, without reducing the value of reversible capacity. 

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