Wolf's Shareware and Freeware
              Chemical Utilities
REDOX  
C_H_N_O   Infrared Pal  MSPal  Exact Mass    Buffer   Metastable ions   Protein synthesis  ChemMol   MolWList
Publications:
Protecting groups in Organic Chemistry database 
Aquarel paper as an  alternative stationary phase in planar chromatography (TLC)
Preparation of TLC plates using chalk, starch and kaolin as the sorbents
Make your own storable talc TLC plates (chromatography)
Make your own microcrystalline cellulose TLC plates






free download of MSPal 1.0


Best Software 4 Download
Mass Spectrometry Pal  (MSPal  v.1.0)
Freeware !!! Screenshot:

MSPal is a program for the storage, maintenance and analysis of both low- and high resolution MS spectra. This embedded SQLite application has powerful search- and filter capabilities and offers a nifty routine to compare MS spectra of structurally related compounds, thereby facilitating both the structure elucidation, and profiling of groups of compounds as is demonstrated with the illegal drugs of the amphetamine- and opiate- series. MS spectra can be tailored and saved to editable bitmaps, suitable for publication in papers or on posters. Likewise, numerical data of spectra can be imported from www databases or exported to contribute to those sites. The database harbours tables of well known charged and neutral fragments, which are constantly consulted in the analysis of spectra. MSPal also features utilities like a fragment finder, exact masses calculator and a possible metastable ion predictor.


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MSPal is Windows 8 compatible 







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IRPal is Windows 8 compatible
Infrared Pal  IRPal  2.0   (A tabledriven Infrared Application)   Freeware.
Screenshot:

The program IRPal is a powerful tool for the interpretation of IR-spectra of organic compounds. It not only gives the user one or more functional groups that feature absorption band(s) for a selected wavenumber, but relates that information to the possible existence of other bands in the spectrum that could confirm these assignments. Thus, if we assign a peak at 1700 cm-1 to a carbonyl stretch of an aromatic aldehyde the program prompts the user to check the presence of aldehyde C-H at 2720 and 2820 cm-1 and a number of typical aromatic C-H out of plane bands. Apart from this, one can rule out classes of compounds by making them invisible to the user. If a sample is known not to contain nitrogen, one can hide all amine, amide, nitrile, etc. data thereby facilitating structure elucidation. Assignments can be logged and annotated and imported into other applications. The program also features graphical representation of the data given in the tables.

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..


New:
   REDOX 2.0   (Oxidation and Reduction Reactions)



REDOX V2.0
   is a freeware program designed for evaluating and predicting oxidation and reduction reactions in aqueous systems. Just select an oxidant and a reductant and the program will give the user an overview of all the redox halfreactions that may play a role in the redox system chosen. These include cascading reactions of species having multiple oxidation states, redox pathways depending on pH or ions that interfere or even alter the course of resulting reaction.





REDOX for vista
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All programs listed on this page run under Windows W9*, 2000 and XP.

Vista not tested.



C_H_N_O  Elemental analysis
This freeware program accepts input values for mass % of the elements C (Carbon), H (Hydrogen), N (Nitrogen) and O (Oxygen). If  a value for O is not explicitily given in a compound that contains oxygen it will be calculated by
the formula: O%= 100%-C%-H%-N%.
A list is produced from which the most likely composition of the compound can be readlily determined.




 

Mass Spectroscopy
Links
MS Tools
Exact Masses
MS  Wikipedia

Best Software 4 Download
EM .EXE  V1.0 (Short from Exact Mass) is a freeware program that accepts an exact mass as determined by Mass Spectroscopy and lists possible compositions of the atoms S, O, N, C and H.     An example for benzamid (EM=121.0526) with an error tolerance of    0.0007 is given in the picture (right). C7H7NO is found along with another element composition that makes no sence. The program is self- explanatory for insiders and context-sensitive help is given on the statusbar.


Buffer Calculation and
Preparation Links
Buffer preparations #1
Buffer preparations #2
pH  Calculations
Wikipedia Buffers
Chemtutor
BUFFER Version 1.0 is a freeware program that accepts a valid pH value and returns one or more methods of preparation of suitable buffers and a number of pH-indicators that change colors close to the pH value entered.

Theoretical buffer pH and real buffer pH are usually two different numbers. For best accuracy, it's recommended to use a pH meter. While monitoring the solution's pH, small amounts of either HCl or NaOH in dilute solution are added until the pH reaches the desired value

4 relevant internet links dealing with the preparation and pH-calculation of buffers are directly accessible from within the program.
Freeware            

Best Software 4 Download
.Best Software 4 Download


Metastable.exe V1.0

Metastables Version 1.0 is a freeware program that accepts a
mean mass value of a metastable ion (M*) and an exact value or estimate of the molecular ion (M+) and returns one or more possible combinations of ion-pairs that satify the equation:
M*  =  (M2*M2)/M1
where where M1 and M2 are whole numbers with an error-
tolerance of 0.10 dalton.


Freeware    

mRNA Translation
and
Peptide synthesis.
 Translation is the final step on the way from DNA to protein. It is the synthesis of proteins directed by a mRNA template. The information contained in the nucleotide sequence of the mRNA is read as three letter words (triplets), called codons. Each word stands for one amino acid.
Protein Synthesis


mRNA.EXE is a freeware program that accepts a sequence of codons (mRNA) and translates this sequence into
a protein. Codons are 3-letter words consisting of the bases A (Adenine), C (Cytosine), G (Guanine) and U (Uracil).
Both the mMRA and produced peptide can be copied to the Clipboard be right-clicking the lines in the listbox.
Internet links to relevant topics are displayed on the form.

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Freeware    
MolWList (V1.0)
is a freeware program that I once developed in DOS Turbo Pascal for the bulk conversion of lists of compounds into lists that also contained the respective molecular weights.
The program has now been ported to the Windows environment using Borland Delphi. MolWList  accepts an input text file of a list of chemical formulas with each compound on a new line. 
The molecular masses of the compounds listed are calculated (convert button) and the resulting list (fig. left) can be saved to a TAB-delimited text-file suitable for import in other applications like EXCEL or word processors.

Freeware    

CHEMMOL


CHEMMOL (V1.0)
is a freeware program for the calculation of molecular masses and chemical analyses of compounds. It was written with the organic chemist in mind.
Thus, apart form (most) of the elements a number of organic functional groups and some protecting groups were added to the database. Likewise, all naturally occuring amino acids were added.
See the Help-screen in the
screendump right.


Output for styrene (Ph-CH=CH2) :
Ph-CH=CH2
(C6H5)C2H3      MW:      104.15                                                        --  resolves phenyl group (C6H5)
Anal:    Ph :  74.03%        C :  23.06%        H :   2.90%       

C8H8      MW:      104.15                                                                    --  Molecular formula  (C8H8)
Anal:    C :  92.26%        H :   7.74%  
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