Validation of fuzzy logic method for automated mass spectral classification for mineral imaging

Imaging mass spectrometry requires the acquisition and interpretation of hundreds to thousands of individual spectra in order to map the mineral phases within heterogeneous geomatrices. A fuzzy logic inference engine (FLIE) was developed to automate data interpretation. To evaluate the strengths and limitations of FLIE, the chemical images obtained using FLIE were compared with those developed using two chemometric methods: principle component analysis (PCA) and cluster analysis (K-Means). Two heterogeneous geomatrices, a low-grade chalcopyrite ore and basalt, were imaged using a laser-desorption Fourier transform mass spectrometer. Similar mineral distribution patterns in the chalcopyrite ore sample were obtained by the three data analysis methods with most of the differences occurring at the interfaces between mineral phases. PCA missed one minor mineral phase in the chalcopyrite ore sample and did not clearly differentiate among the mineral classes of the basalt. K-Means cluster analysis differentiated among the various mineral phases in both samples, but improperly grouped some spectra in the chalcopyrite sample that only contained unanticipated high mass peaks. Unlike the chemometric methods, FLIE was able to classify spectra as unknowns for those spectra that fell below the confidence level threshold. A nearest neighbor approach, included in FLIE, was used to classify the unknowns to form a visually complete image; however, the unknowns identified by FLIE can be informative because they highlight potential problems or overlooked results. In conclusion, this study validated the fuzzy logic-based approach used in our laboratory and reveald some limitations in the three techniques that were evaluated.     

Extraordinary optical transmission through metal-coated colloidal monolayers

Extraordinary optical transmission through metal-coated close-packed monolayers has been observed. The monolayers consist of silica (a-SiO₂) or polystyrene microspheres that form two-dimensional close-packed lattices by self-assembly. Metal layers of Ag, Au and Ni with different thicknesses (larger than the skin depth) were evaporated onto such lattices by means of standard techniques. The optical transmission spectra investigated between 300 and 2500 nm show pronounced peaks that scale with the diameter and the optical properties of the composite slabs. The enhanced transmission observed is most likely mediated via plasmons. PACS 78.66.-w; 81.16.Dn; 82.70.Dd     

Fatty acid binding site of mitochondrial uncoupling protein UCP2 as probed by EPR spectroscopy of spin-labeled fatty acids

Electron paramagnetic resonance (EPR) spectroscopy of spin-labeled fatty acids was used to investigate their interaction withEscherichia coli-expressed human mitochondrial uncoupling protein UCP2 refolded from inclusion bodies in nonaethylene glycol monododecyl ether (C₁₂E₉) micelles. 5-DOXYL-stearic acid and 4-PROXYL-palmitic acid bound to UCP2 exhibited additional clearly separated h_+1I, h_?1I “immobile” peaks in the low- and high-field region, respectively, separated by 42 and 44 Gauss, and extensively reduced h_+1M, h_?1M “mobile” peaks, separated by about 30 G, whereas with 7-DOXYL-stearic acid the I and M peaks were smoothed together into one wide peak. Competition of 4-PROXYL-palmitic acid with added palmitic acid, arachidonic acid, and all-cis-8,11,14-eicosatrienoic acid and of 7-DOXYL-stearic acid with arachidonic acid was indicated by the disappearance of the h_+1I, h_?1I “immobile” peaks, whereas redistribution in micelles without protein was indicated by the rising of the h_+1M, h_?1M “mobile” peaks. In conclusion, a competition of palmitic, arachidonic, and eicosatrienoic acid within a putative fatty acid binding site was observed for mitochondrial uncoupling protein UCP2. This finding together with the observation of EPR spectra of highly immobilized probes exclusively in the presence of the recombinant UCP2 suggest the existence of a fatty acid binding site on UCP2 which is a prerequisite of the fatty acid cycling mechanism as previously postulated for UCP1.     

On the existence and the stability of solutions for higher-order semilinear Dirichlet problems

We investigate the existence and stability of solutions for higher-order two-point boundary value problems in case the differential operator is not necessarily positive definite, i.e. with superlinear nonlinearities. We write an abstract realization of the Dirichlet problem and provide abstract existence and stability results which are further applied to concrete problems.     

Stability of shock waves in the modified quintic complex Ginzburg-Landau equation

We consider a shock-type wave solution of the modified quintic complex Ginzburg-Landau equation and make a numerical study of its spatiotemporal stability. Discussions related to the behavior of this front wave are introduced and it is shown how the velocities of the wave can be used to collect information concerning the pattern formation in the system. Published in Neliniini Kolyvannya, Vol. 10, No. 2, pp. 270–276, April–June, 2007.     

Estimate of the concentration function for a class of additive functions

We show how methods for estimating the concentration function of the sum of independent random variables can be used to obtain estimates of the concentration function for the values of additive functions under suitable conditions. Previously obtained estimates of the concentration function are consequences of the estimate obtained in the present paper for functions from of the class under consideration.