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Zastosowanie metod chemometrycznych do interpretacji widm mas EI pochodnych organicznych cyny

Pujszo E. K., Szymura I., Lamkiewicz J., Szymura J. A.

Chemik

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2009

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Vol. 62, nr 1

7-10

PL

Praca prezentuje wstępne wyniki zastosowania połączonych metod chemometrycznych PCA, CA oraz BCA do interpretacji widm mas EI wybranej grupy związków cynoorganicznych o wzorze ogólnym (CH3)3SnR, gdzie R = alkil, aryl, halogen. Za pomocą PCA i CA wykazano, że parametry wzięte z procedury BCA, takie jak wariancja teoretyczna s2 theor, współczynnik dopasowania ??porównywanych pasm oraz udziały xi jonów Sn+ i SnH+ tworzących pasmo 112-127 m/z umożliwiają rozróżnienie aromatycznych od alifatycznych pochodnych organicznych cyny. Otrzymane rezultaty dają podstawy do stworzenia nowego klasyfikatora użytecznego do wyjaśniania struktury związków organicznych cyny, w oparciu o ich widma mas EI.

EN

This work presents initial results of joint use of PCA, CA and BCA computer-aided chemometric methods for interpretation of EI mass spectra of selected group of organotins with general formula (CH3)₃SnR, where R = alkyl, aryl or halogen. PCA and CA showed that parameters taken from BCA procedure, i.e. theoretical variance s² _theor, fit factor ??of compared bands and x_i contributions of Sn⁺ i SnH⁺ ions in 112-127 m/z band, allowed good distinction between aromatic and aliphatic organic derivatives of tin. Obtained results can be a good base for elaboration of the novel classifier helpful in structure elucidation of organotin derivatives from their EI mass spectra.

2

Organotins used in antifouling paints: environmental impact and contamination in a case study (Southern Venice Lagoon)

Berto D., Boscolo R., Cacciatore F., Giani M.

Oceanological and Hydrobiological Studies

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2006

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Vol. 35, No.3

269-283

EN

Butyltins, including tributyltin (TBT), are widely used as biocides in antifouling paints. Evidence of the damaging effect of organotin (OTs) compounds on the reproduction and growth of various marine organisms has prompted action by many countries to regulate or ban their use in antifouling products. Organotin chemical and physical characteristics, toxicity and their use in antifouling paints are described in this article. TBT concentrations in seawater were investigated in the Southern Venice Lagoon as a case study, and results indicated the continuous use of TBT-based antifouling paints.

3

The impact of some organotins on the unicellular cyanobacterium Synechocystis aquatilis

Pawlik-Skowrońska B., Kaczorowska R., Skowroński T.

Oceanological Studies

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1998

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Vol. 27, No. 1

79-90

EN

The impact of some organotin compounds (10-200 mg dm^3) on the planktonic cyanobacterium Synechocystis aquatilis was studied. The following order of toxicity of organotins tested to the cyanobacterium culture was found: DBTCl TPTAclTBTCl? TPTCl TMTCl. Chlorophyll a content in the culture seemed to be more susceptible to organotins than cyanobacterial growth. The inhibition of both parameters increased significantly with the increase of compound doses, time of exposure and decrease of initial culture density. After 96 h exposure, the chlorophyll a content in the cyanobacte-rium cultures of the initial density 56 mg dry wt dm^3 was reduced for 200 mg dm^3 of DBTCl, TBTCl and TPTCl by 70%, 50% and 20% respectively, while in the cultures of the lowest initial density (10 mg dry wt dm-3) by 90%, 75% and 50%, as compared to the organotin free controls.