Towards Bayesian Data Compression

In order to handle large data sets omnipresent in modern science, efficient compression algorithms are necessary. Here, a Bayesian data compression (BDC) algorithm that adapts to the specific measurement situation is derived in the context of signal reconstruction. BDC compresses a data set under conservation of its posterior structure with minimal information loss given the prior knowledge on the signal, the quantity of interest. Its basic form is valid for Gaussian priors and likelihoods. For constant noise standard deviation, basic BDC becomes equivalent to a Bayesian analog of principal component analysis. Using Metric Gaussian Variational Inference, BDC generalizes to non-linear settings. In its current form, BDC requires the storage of effective instrument response functions for the compressed data and corresponding noise encoding the posterior covariance structure. Their memory demand counteract the compression gain. In order to improve this, sparsity of the compressed responses can be obtained by separating the data into patches and compressing them separately. The applicability of BDC is demonstrated by applying it to synthetic data and radio astronomical data. Still the algorithm needs further improvement as the computation time of the compression and subsequent inference exceeds the time of the inference with the original data.Comment: 39 pages, 15 figures, 1 table, for code, see https://gitlab.mpcdf.mpg.de/jharthki/bd

Columnar Molecular Aggregation In The Aqueous Solutions Of Disodium Cromoglycate

Stack, chimneylike, and threadlike assemblies have previously been proposed for the structure of disodium cromoglycate (DSCG) aggregates in aqueous solutions. The results of the synchrotron x-ray scattering investigations reported here reveal the formation of simple columnar assemblies with pi-pi stacking at a separation of 3.4 angstrom between the DSCG molecules. Lateral separation between the assemblies is concentration and temperature dependent, varying from similar to 35 to 42 angstrom in the orientationally ordered nematic (N) phase and from 27 to 32 angstrom in the columnar or middle (M) phase having long range lateral positional order. The assemblies\u27 length depends on concentration and consists of similar to 23 molecules in the N phase, becoming three to ten times larger in the M phase. The scission energy is concentration dependent in the N phase with values similar to 7.19 +/- 0.14 k(B)T (15 wt%), 2.73 +/- 0.4 k(B)T (20 wt%), and 3.05 +/- 0.2 k(B)T (25 wt%). Solutions of all concentrations undergo a spinodal decomposition at temperatures above similar to 40 degrees C, resulting in DSCG-rich regions with the M phase and water-rich regions in the N and isotropic phases

Smectic blue phases: layered systems with high intrinsic curvature

We report on a construction for smectic blue phases, which have quasi-long range smectic translational order as well as three dimensional crystalline order. Our proposed structures fill space by adding layers on top of a minimal surface, introducing either curvature or edge defects as necessary. We find that for the right range of material parameters, the favorable saddle-splay energy of these structures can stabilize them against uniform layered structures. We also consider the nature of curvature frustration between mean curvature and saddle-splay.Comment: 15 pages, 11 figure

Blue-phase templated fabrication of three-dimensional nanostructures for photonic applications

A promising approach to the fabrication of materials with nanoscale features is the transfer of liquid-crystalline structure to polymers. However, this has not been achieved in systems with full three-dimensional periodicity. Here we demonstrate the fabrication of self-assembled three-dimensional nanostructures by polymer templating blue phase I, a chiral liquid crystal with cubic symmetry. Blue phase I was photopolymerized and the remaining liquid crystal removed to create a porous free-standing cast, which retains the chiral three-dimensional structure of the blue phase, yet contains no chiral additive molecules. The cast may in turn be used as a hard template for the fabrication of new materials. By refilling the cast with an achiral nematic liquid crystal, we created templated blue phases that have unprecedented thermal stability in the range -125 to 125 °C, and that act as both mirrorless lasers and switchable electro-optic devices. Blue-phase templated materials will facilitate advances in device architectures for photonics applications in particular

Proteomics Characterization of Cytoplasmic and Lipid-Associated Membrane Proteins of Human Pathogen Mycoplasma fermentans M64

Mycoplasma fermentans is a potent human pathogen which has been implicated in several diseases. Notably, its lipid-associated membrane proteins (LAMPs) play a role in immunomodulation and development of infection-associated inflammatory diseases. However, the systematic protein identification of pathogenic M. fermentans has not been reported. From our recent sequencing results of M. fermentans M64 isolated from human respiratory tract, its genome is around 1.1 Mb and encodes 1050 predicted protein-coding genes. In the present study, soluble proteome of M. fermentans was resolved and analyzed using two-dimensional gel electrophoresis. In addition, Triton X-114 extraction was carried out to enrich amphiphilic proteins including putative lipoproteins and membrane proteins. Subsequent mass spectrometric analyses of these proteins had identified a total of 181 M. fermentans ORFs. Further bioinformatics analysis of these ORFs encoding proteins with known or so far unknown orthologues among bacteria revealed that a total of 131 proteins are homologous to known proteins, 11 proteins are conserved hypothetical proteins, and the remaining 39 proteins are likely M. fermentans-specific proteins. Moreover, Triton X-114-enriched fraction was shown to activate NF-kB activity of raw264.7 macrophage and a total of 21 lipoproteins with predicted signal peptide were identified therefrom. Together, our work provides the first proteome reference map of M. fermentans as well as several putative virulence-associated proteins as diagnostic markers or vaccine candidates for further functional study of this human pathogen

E. coli Histidine Triad Nucleotide Binding Protein 1 (ecHinT) Is a Catalytic Regulator of D-Alanine Dehydrogenase (DadA) Activity In Vivo

Histidine triad nucleotide binding proteins (Hints) are highly conserved members of the histidine triad (HIT) protein superfamily. Hints comprise the most ancient branch of this superfamily and can be found in Archaea, Bacteria, and Eukaryota. Prokaryotic genomes, including a wide diversity of both Gram-negative and Gram-positive bacteria, typically have one Hint gene encoded by hinT (ycfF in E. coli). Despite their ubiquity, the foundational reason for the wide-spread conservation of Hints across all kingdoms of life remains a mystery. In this study, we used a combination of phenotypic screening and complementation analyses with wild-type and hinT knock-out Escherichia coli strains to show that catalytically active ecHinT is required in E. coli for growth on D-alanine as a sole carbon source. We demonstrate that the expression of catalytically active ecHinT is essential for the activity of the enzyme D-alanine dehydrogenase (DadA) (equivalent to D-amino acid oxidase in eukaryotes), a necessary component of the D-alanine catabolic pathway. Site-directed mutagenesis studies revealed that catalytically active C-terminal mutants of ecHinT are unable to activate DadA activity. In addition, we have designed and synthesized the first cell-permeable inhibitor of ecHinT and demonstrated that the wild-type E. coli treated with the inhibitor exhibited the same phenotype observed for the hinT knock-out strain. These results reveal that the catalytic activity and structure of ecHinT is essential for DadA function and therefore alanine metabolism in E. coli. Moreover, they provide the first biochemical evidence linking the catalytic activity of this ubiquitous protein to the biological function of Hints in Escherichia coli

Complexity of the Mycoplasma fermentans M64 Genome and Metabolic Essentiality and Diversity among Mycoplasmas

Recently, the genomes of two Mycoplasma fermentans strains, namely M64 and JER, have been completely sequenced. Gross comparison indicated that the genome of M64 is significantly bigger than the other strain and the difference is mainly contributed by the repetitive sequences including seven families of simple and complex transposable elements ranging from 973 to 23,778 bps. Analysis of these repeats resulted in the identification of a new distinct family of Integrative Conjugal Elements of M. fermentans, designated as ICEF-III. Using the concept of “reaction connectivity”, the metabolic capabilities in M. fermentans manifested by the complete and partial connected biomodules were revealed. A comparison of the reported M. pulmonis, M. arthritidis, M. genitalium, B. subtilis, and E. coli essential genes and the genes predicted from the M64 genome indicated that more than 73% of the Mycoplasmas essential genes are preserved in M. fermentans. Further examination of the highly and partly connected reactions by a novel combinatorial phylogenetic tree, metabolic network, and essential gene analysis indicated that some of the pathways (e.g. purine and pyrimidine metabolisms) with partial connected reactions may be important for the conversions of intermediate metabolites. Taken together, in light of systems and network analyses, the diversity among the Mycoplasma species was manifested on the variations of their limited metabolic abilities during evolution