Optimized Preprocessing for Accurate and Efficient Bioassay Prediction with Machine Learning Algorithms

Bioassay is the measurement of the potency of a chemical substance by its effect on a living animal or plant tissue. Bioassay data and chemical structures from pharmacokinetic and drug metabolism screening are mined from and housed in multiple databases. Bioassay prediction is calculated accordingly to determine further advancement. This paper proposes a four-step preprocessing of datasets for improving the bioassay predictions. The first step is instance selection in which dataset is categorized into training, testing, and validation sets. The second step is discretization that partitions the data in consideration of accuracy vs. precision. The third step is normalization where data are normalized between 0 and 1 for subsequent machine learning processing. The fourth step is feature selection where key chemical properties and attributes are generated. The streamlined results are then analyzed for the prediction of effectiveness by various machine learning algorithms including Pipeline Pilot, R, Weka, and Excel. Experiments and evaluations reveal the effectiveness of various combination of preprocessing steps and machine learning algorithms in more consistent and accurate prediction.

Application of Scanning Electron Microscopy and X-Ray Evaluation of the Main Digestion Methods for Determination of Macroelements in Plant Tissue

Three commonly used digestion methods (dry ashing, acid digestion, and microwave digestion) in different variants were compared for digestion of tobacco leaves. Three main macroelements (K, Ca and Mg) were analysed using AAS Spectrometer Spectra АА 220, Varian, Australia. The accuracy and precision of the measurements were evaluated by using Polish reference material CTR-VTL-2 (Virginia tobacco leaves). To elucidate the problems with elemental recovery X-Ray and SEM–EDS analysis of all residues after digestion were performed. The X-ray investigation showed a formation of KClO4 when HClO4 was used as a part of the acids mixture. The use of HF at Ca and Mg determination led to the formation of CaF2 and MgF2. The results were confirmed by energy dispersive X-ray microanalysis. SPSS program for Windows was used for statistical data processing.

Prevalence and Fungicidal Activity of Endophytic Micromycetes of Plants in Kazakhstan

Endophytic microorganisms are presented in plants of different families growing in the foothills and piedmont plains of Trans-Ili Alatau. It was found that the maximum number of endophytic micromycetes is typical to the Fabaceae family. The number of microscopic fungi in the roots reached (145.9±5.9)×103 CFU/g of plant tissue; yeasts - (79.8±3.5)×102 CFU/g of plant tissue. Basically, endophytic microscopic fungi are typical for underground parts of plants. In contrast, yeasts more infected aboveground parts of plants. Small amount of micromycetes is typical to inflorescence and fruits. Antagonistic activity of selected micromycetes against Fusarium graminearum, Cladosporium sp., Phytophtora infestans and Botrytis cinerea phytopathogens was detected. Strains with a broad, narrow and limited range of action were identified. For further investigations Rh2 and T7 strains were selected, they are characterized by a broad spectrum of fungicidal activity and they formed the large inhibition zones against phytopathogens. Active antagonists are attributed to the Rhodotorula mucilaginosa and Beauveria bassiana species.

Density of Hydrocarbonoclastic Bacteria and Polycyclic Aromatic Hydrocarbon Accumulation in Iko River Mangrove Ecosystem, Nigeria

Sediment and mangrove root samples from Iko River Estuary, Nigeria were analyzed for microbial and polycyclic aromatic hydrocarbon (PAH) content. The total heterotrophic bacterial (THB) count ranged from 1.1x107 to 5.1 x107 cfu/g, total fungal (TF) count ranged from 1.0x106 to 2.7x106 cfu/g, total coliform (TC) count ranged from 2.0x104 to 8.0x104cfu/g while hydrocarbon utilizing bacterial (HUB) count ranged from 1.0x 105 to 5.0 x 105cfu/g. There was a range of positive correlation (r = 0.72 to 0.93) between THB count and total HUB count, respectively. The organisms were Staphylococcus aureus, Bacillus cereus, Flavobacterium breve, Pseudomonas aeruginosa, Erwinia amylovora, Escherichia coli, Enterobacter sp, Desulfovibrio sp, Acinetobacter iwoffii, Chromobacterium violaceum, Micrococcus sedentarius, Corynebacterium sp, and Pseudomonas putrefaciens. The PAH were Naphthalene, 2-Methylnaphthalene, Acenapthylene, Acenaphthene, Fluorene, Phenanthene, Anthracene, Fluoranthene, Pyrene, Benzo(a)anthracene, Chrysene, Benzo(b)fluoranthene, Benzo(k)fluoranthene, Benzo(a)pyrene, Dibenzo(a,h)anthracene, Benzo(g,h,l)perylene ,Indeno(1,2,3-d)pyrene with individual PAH concentrations that ranged from 0.20mg/kg to 1.02mg/kg, 0.20mg/kg to 1.07mg/kg and 0.2mg/kg to 4.43mg/kg in the benthic sediment, epipellic sediment and mangrove roots, respectively. Total PAH ranged from 6.30 to 9.93mg/kg, 6.30 to 9.13mg/kg and 9.66 to 16.68mg/kg in the benthic sediment, epipellic sediment and mangrove roots, respectively. The high concentrations in the mangrove roots are indicative of bioaccumulation of the pollutant in the plant tissue. The microorganisms are of ecological significance and the detectable quantities of polycyclic aromatic hydrocarbon could be partitioned and accumulated in tissues of infaunal and epifaunal organisms in the study area.