Markov Random Walks (MRW) has proven to be an effective way to understand spectral clustering and embedding. However, due to less global structural measure, conventional MRW (e.g., the Gaussian kernel MRW) cannot be applied to handle data points drawn from a mixture of subspaces. In this paper, we introduce a regularized MRW learning model, using a low-rank penalty to constrain the global subspace structure, for subspace clustering and estimation. In our framework, both the local pairwise similarity and the global subspace structure can be learnt from the transition probabilities of MRW. We prove that under some suitable conditions, our proposed local/global criteria can exactly capture the multiple subspace structure and learn a low-dimensional embedding for the data, in which giving the true segmentation of subspaces. To improve robustness in real situations, we also propose an extension of the MRW learning model based on integrating transition matrix learning and error correction in a unified framework. Experimental results on both synthetic data and real applications demonstrate that our proposed MRW learning model and its robust extension outperform the state-of-the-art subspace clustering methods.

• MeSH
• Algorithms MeSH
• Emotions physiology   MeSH
• Humans MeSH
• Limbic System physiology   MeSH
• Models, Neurological MeSH
• Neural Networks, Computer * MeSH
• Pattern Recognition, Automated methods   MeSH
• Cluster Analysis MeSH
• Models, Theoretical MeSH
• Learning MeSH
• Artificial Intelligence MeSH
• Animals MeSH
• Check Tag
• Humans MeSH
• Animals MeSH
• Publication type
• Journal Article MeSH
• Research Support, Non-U.S. Gov't MeSH
• Review MeSH

Clusters of a solute and a few solvent molecules obtained from molecular dynamics (MD) are a powerful tool to study solvation effects by advanced quantum chemical (QC) methods. For spectroscopic properties strongly dependent on the solvation, however, a large number of clusters are needed for a good convergence. In this work, a parallel variable selection (PVS) method is proposed that in some cases efficiently reduces the number of clusters needed for the averaging. The mass, charge, or atomic density MD distributions are used as a secondary variable to preselect the most probable cluster geometries used for averaging of solute spectral properties. When applied to nuclear magnetic resonance chemical shift of a model alcohol, the method allowed one to significantly reduce the total computational time, by a factor of 10. Even larger savings were achieved for the modeling of Raman and Raman optical activity spectra of (S)-lactamide molecule dissolved in water. The results thus suggest that the PVS method can be generally used for simulations of spectroscopic properties of solvated molecules and makes multiscale MD/QC computations more affordable.

• MeSH
• Alcohols chemistry   MeSH
• Quantum Theory MeSH
• Magnetic Resonance Spectroscopy MeSH
• Molecular Conformation MeSH
• Models, Molecular MeSH
• Spectrum Analysis, Raman MeSH
• Molecular Dynamics Simulation * MeSH
• Publication type
• Journal Article MeSH

• MeSH
• Mathematical Computing MeSH
• Mathematics MeSH
• Numerical Analysis, Computer-Assisted * MeSH
• Publication type
• Monograph MeSH

• Conspectus
• Počítačová věda. Výpočetní technika. Informační technologie
• NML Fields
• přírodní vědy
• přírodní vědy

Staphylococcus aureus is a major causative agent of infections associated with hospital environments, where antibiotic-resistant strains have emerged as a significant threat. Phage therapy could offer a safe and effective alternative to antibiotics. Phage preparations should comply with quality and safety requirements; therefore, it is important to develop efficient production control technologies. This study was conducted to develop and evaluate a rapid and reliable method for identifying staphylococcal bacteriophages, based on detecting their specific proteins using matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS) profiling that is among the suggested methods for meeting the regulations of pharmaceutical authorities. Five different phage purification techniques were tested in combination with two MALDI-TOF MS matrices. Phages, either purified by CsCl density gradient centrifugation or as resuspended phage pellets, yielded mass spectra with the highest information value if ferulic acid was used as the MALDI matrix. Phage tail and capsid proteins yielded the strongest signals whereas the culture conditions had no effect on mass spectral quality. Thirty-seven phages from Myoviridae, Siphoviridae or Podoviridae families were analysed, including 23 siphophages belonging to the International Typing Set for human strains of S. aureus, as well as phages in preparations produced by Microgen, Bohemia Pharmaceuticals and MB Pharma. The data obtained demonstrate that MALDI-TOF MS can be used to effectively distinguish between Staphylococcus-specific bacteriophages.

• MeSH
• Biological Products isolation & purification   MeSH
• Chemical Fractionation methods   MeSH
• Humans MeSH
• Virus Replication MeSH
• Cluster Analysis MeSH
• Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization * methods   MeSH
• Staphylococcus Phages classification   metabolism   MeSH
• Staphylococcus aureus virology   MeSH
• Viral Proteins analysis   chemistry   MeSH
• Check Tag
• Humans MeSH
• Publication type
• Journal Article MeSH
• Research Support, Non-U.S. Gov't MeSH

• MeSH
• Algorithms MeSH
• Informatics MeSH

• Conspectus
• Lékařské vědy. Lékařství
• NML Fields
• lékařská informatika

Comparison and classification of organisms based on molecular data is an important task of computational biology, since at least parts of DNA sequences for many organisms are available. Unfortunately, methods for comparison are computationally very demanding, suitable only for short sequences. In this paper, we focus on the redundancy of genetic information stored in DNA sequences. We proposed rules for downsampling of DNA signals of cumulated phase. According to the length of an original sequence, we are able to significantly reduce the amount of data with only slight loss of original information. Dyadic wavelet transform was chosen for fast downsampling with minimum influence on signal shape carrying the biological information. We proved the usability of such new short signals by measuring percentage deviation of pairs of original and downsampled signals while maintaining spectral power of signals. Minimal loss of biological information was proved by measuring the Robinson-Foulds distance between pairs of phylogenetic trees reconstructed from the original and downsampled signals. The preservation of inter-species and intra-species information makes these signals suitable for fast sequence identification as well as for more detailed phylogeny reconstruction.

• MeSH
• Phylogeny * MeSH
• Genome * MeSH
• Models, Genetic * MeSH
• Sequence Analysis, DNA methods   MeSH
• Publication type
• Journal Article MeSH
• Research Support, Non-U.S. Gov't MeSH

The remarkable adaptability of diatoms living in a highly variable environment assures their prominence among marine primary producers. The present study integrates biochemical, biophysical and genomic data to bring new insights into the molecular mechanism of chromatic adaptation of pennate diatoms in model species Phaeodactylum tricornutum, a marine eukaryote alga possessing the capability to shift its absorption up to ~700 nm as a consequence of incident light enhanced in the red component. Presence of these low energy spectral forms of Chl a is manifested by room temperature fluorescence emission maximum at 710 nm (F710). Here we report a successful isolation of the supramolecular protein complex emitting F710 and identify a member of the Fucoxanthin Chlorophyll a/c binding Protein family, Lhcf15, as its key building block. This red-shifted antenna complex of P. tricornutum appears to be functionally connected to photosystem II. Phylogenetic analyses do not support relation of Lhcf15 of P. tricornutum to other known red-shifted antenna proteins thus indicating a case of convergent evolutionary adaptation towards survival in shaded environments.

• MeSH
• Color * MeSH
• Chlorophyll metabolism   MeSH
• Fluorescence * MeSH
• Spectrometry, Fluorescence MeSH
• Photosystem II Protein Complex metabolism   MeSH
• Phylogeny MeSH
• Adaptation, Physiological * MeSH
• Spectrometry, Mass, Electrospray Ionization MeSH
• Diatoms physiology   MeSH
• Light MeSH
• Light-Harvesting Protein Complexes metabolism   MeSH
• Publication type
• Journal Article MeSH
• Research Support, Non-U.S. Gov't MeSH

The release of hexavalent chromium [Cr (VI)] into environments has resulted in many undesirable interactions with biological systems for its toxic potential and mutagenicity. Chromate reduction via chromium reductase (ChrR) is a key strategy for detoxifying Cr (VI) to trivalent species of no toxicity. In this study, ten bacterial isolates were isolated from heavily polluted soils, with a strain assigned as FACU, being the most efficient one able to reduce Cr (VI). FACU was identified as Escherichia coli based on morphological and 16S rRNA sequence analyses. Growth parameters and enzymatic actions of FACU were tested under different experimental conditions, in the presence of toxic chromium species. The E. coli FACU was able to reduce chromate at 100 μg/mL conceivably by reducing Cr (VI) into the less harmful Cr (III). Two distinctive optical spectroscopic techniques have been employed throughout the study. Laser-induced breakdown spectroscopy (LIBS) was utilized as qualitative analysis to demonstrate the presence of chromium with the distinctive spectral lines for bacteria such as Ca, Fe, and Na. While UV-visible spectroscopy was incorporated to confirm the reduction capabilities of E. coli after comparing Cr (III) spectrum to that of bacterial product spectrum and they were found to be identical. The chromate reductase specific activity was 361.33 μmol/L of Cr (VI) per min per mg protein. The FACU (EMCC 2289) 16S rRNA sequence and the ChrR-partially isolated gene were submitted to the DDBJ under acc. # numbers LC177419 and LC179020, respectively. The results support that FACU is a promising source of ChrR capable of bioremediation of toxic chromium species.

• MeSH
• Drug Resistance, Bacterial MeSH
• Biodegradation, Environmental MeSH
• Chromium metabolism   pharmacology   MeSH
• Escherichia coli classification   isolation & purification   metabolism   physiology   MeSH
• Phylogeny MeSH
• Carcinogens, Environmental metabolism   pharmacology   MeSH
• Oxidation-Reduction MeSH
• Oxidoreductases genetics   metabolism   MeSH
• Escherichia coli Proteins genetics   metabolism   MeSH
• Soil Microbiology MeSH
• RNA, Ribosomal, 16S genetics   MeSH
• Publication type
• Journal Article MeSH

Animals often change their habitat throughout ontogeny; yet, the triggers for habitat transitions and how these correlate with developmental changes - e.g. physiological, morphological and behavioural - remain largely unknown. Here, we investigated how ontogenetic changes in body coloration and of the visual system relate to habitat transitions in a coral reef fish. Adult dusky dottybacks, Pseudochromis fuscus, are aggressive mimics that change colour to imitate various fishes in their surroundings; however, little is known about the early life stages of this fish. Using a developmental time series in combination with the examination of wild-caught specimens, we revealed that dottybacks change colour twice during development: (i) nearly translucent cryptic pelagic larvae change to a grey camouflage coloration when settling on coral reefs; and (ii) juveniles change to mimic yellow- or brown-coloured fishes when reaching a size capable of consuming juvenile fish prey. Moreover, microspectrophotometric (MSP) and quantitative real-time PCR (qRT-PCR) experiments show developmental changes of the dottyback visual system, including the use of a novel adult-specific visual gene (RH2 opsin). This gene is likely to be co-expressed with other visual pigments to form broad spectral sensitivities that cover the medium-wavelength part of the visible spectrum. Surprisingly, the visual modifications precede changes in habitat and colour, possibly because dottybacks need to first acquire the appropriate visual performance before transitioning into novel life stages.

• MeSH
• Color MeSH
• Models, Biological MeSH
• Time Factors MeSH
• Ecosystem * MeSH
• Phylogeny MeSH
• Adaptation, Physiological MeSH
• Coral Reefs * MeSH
• Skin cytology   MeSH
• Quantitative Trait, Heritable MeSH
• Biological Mimicry * MeSH
• Opsins genetics   MeSH
• Pigmentation physiology   MeSH
• Predatory Behavior MeSH
• Gene Expression Regulation MeSH
• Fishes growth & development   physiology   MeSH
• Vision, Ocular physiology   MeSH
• Visual Pathways physiology   MeSH
• Animals MeSH
• Check Tag
• Animals MeSH
• Publication type
• Journal Article MeSH
• Geographicals
• Australia MeSH

Marine sponges, a well-documented prolific source of natural products, harbor highly diverse microbial communities. Their extracts were previously shown to contain quorum sensing (QS) signal molecules of the N-acyl homoserine lactone (AHL) type, known to orchestrate bacterial gene regulation. Some bacteria and eukaryotic organisms are known to produce molecules that can interfere with QS signaling, thus affecting microbial genetic regulation and function. In the present study, we established the production of both QS signal molecules as well as QS inhibitory (QSI) molecules in the sponge species Sarcotragus spinosulus. A total of eighteen saturated acyl chain AHLs were identified along with six unsaturated acyl chain AHLs. Bioassay-guided purification led to the isolation of two brominated metabolites with QSI activity. The structures of these compounds were elucidated by comparative spectral analysis of 1HNMR and HR-MS data and were identified as 3-bromo-4-methoxyphenethylamine (1) and 5,6-dibromo-N,N-dimethyltryptamine (2). The QSI activity of compounds 1 and 2 was evaluated using reporter gene assays for long- and short-chain AHL signals (Escherichia coli pSB1075 and E. coli pSB401, respectively). QSI activity was further confirmed by measuring dose-dependent inhibition of proteolytic activity and pyocyanin production in Pseudomonas aeruginosa PAO1. The obtained results show the coexistence of QS and QSI in S. spinosulus, a complex signal network that may mediate the orchestrated function of the microbiome within the sponge holobiont.

• MeSH
• Escherichia coli drug effects   physiology   MeSH
• Virulence Factors MeSH
• Phylogeny MeSH
• Luminescent Measurements MeSH
• Porifera genetics   metabolism   microbiology   MeSH
• Peptide Hydrolases chemistry   pharmacology   MeSH
• Pyocyanine chemistry   pharmacology   MeSH
• Quorum Sensing drug effects   MeSH
• Animals MeSH
• Check Tag
• Animals MeSH
• Publication type
• Journal Article MeSH