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There is substantial evidence of the complexity of selenium speciation in living organisms and of the importance of the selective determination of the particular species of this element in order to understand its metabolism and biological significance in clinical chemistry, biology, toxicology, and nutrition.
The state-of-the-art of analytical techniques available for this purpose is critically evaluated with particular emphasis on the element-selective detection and identification of the detected selenium compounds. Whereas there are a number of techniques available that are able to detect various selenium species in living organisms selectively, few techniques exist that are able to identify and to characterize the species detected.
Pure Appl. Chem., Vol. 72, No. 3, pp. 447–461, 2000.
IUPAC Technical Report
© 2000 IUPAC
IUPAC permission is acknowledged
The programs presented here are divided into two groups: the interactive and non-interactive. The interactive ones do not require any special format for data entry. The data are requested on the screen as the program needs them. The non-interactive programs are a little bit different. It requires data files written in advance and in a fixed format. The easiest way to build these files is to use the support program ENTRADA, but you can also use any text editor, provided that the format is maintained. The format required is ((I4, 2X, 6Fl0.5/12 (8Fl0.5 /)). This means that the first four columns are used to specify the experiment number, then two columns are left blank and then the variable values are placed in fields of ten columns each, by using as many lines as necessary. The experiment number should be given as an integer, i.e., without fractional values. The values of the variables, in contrast, should use the decimal point. Otherwise the program will place the value after the fifth place of each field. The program ENTRADA asks for data on the screen and will arrange them in the required format. Employing it to insert data is a good idea. Any typing mistakes can be repaired later with the EDITAR program. The execution of each program is started by typing its name on the computer screen (the asterisks are not part of the name). Some programs display the phrase “type <CR> to continue.” That means press “Enter”, at the right of the keyboard. Moreover, when you type something requested by the program, remember to press “Enter” when finished. That is what sends the information to the program. It is easy to know when some information is expected: the request always appears on the screen preceded by three asterisks (***). This is the way to tell you some action from you is needed. If you want a listing, simply press the keys “ctrl” and “p” at the same time before running the program. What appear on the screen will also appear on the printer output. In the next sections it will be shown how to use the programs to solve some problems. When it is necessary to distinguish comments from the rest we will use italics for what the computer writes on the screen and bold for what you should write. Another thing, when they are being executed, the program create temporary archives that are generically called WORK *. DAT, where the asterisk represents one or more numbers. Feel free to delete those files.
Notes:
1. The interactive programs are marked with an asterisk.
2. On downloading you will receive the file extension *.zip which, when unpacked, will result in another set of zipped files, that will generate the executable *. exe programs (for the completion of the calculations) and a tutorial with the extension *.doc. Note that the tutorials for the programs ENTRADA / EDITAR and MODEREG / MIXREG are presented together.
