Computing Integrated Information (Φ) in Discrete Dynamical Systems with Multi-Valued Elements

Integrated information theory (IIT) provides a mathematical framework to characterize the cause-effect structure of a physical system and its amount of integrated information (Φ). An accompanying Python software package (“PyPhi”) was recently introduced to implement this framework for the causal analysis of discrete dynamical systems of binary elements. Here, we present an update to PyPhi that extends its applicability to systems constituted of discrete, but multi-valued elements. This allows us to analyze and compare general causal properties of random networks made up of binary, ternary, quaternary, and mixed nodes. Moreover, we apply the developed tools for causal analysis to a simple non-binary regulatory network model (p53-Mdm2) and discuss commonly used binarization methods in light of their capacity to preserve the causal structure of the original system with multi-valued elements.     

Application of an LC–ESI–QTOF–MS method for evaluating clindamycin concentrations in plasma and prostate microdialysate of rats

Clindamycin is used for infections caused by Gram-positive and Gram-negative anaerobic pathogens and Gram-positive aerobes. Propionibacterium acnes is an important opportunistic microorganism of the human skin and is related to prostatitis. An LC–electrospray ionization–quadrupole time-of-flight–MS method was validated for determining clindamycin concentrations in plasma and prostate microdialysate. Clindamycin separation was carried out on a C₁₈ column at 0.5 mL/min. The mobile phase employed gradient elution of formic acid and methanol. A mass spectrometer was operated in positive electrospray ionization mode to monitor ion 425.1784 and 253.1152 for clindamycin and cimetidine (internal standard), respectively. Linearity was obtained at 0.5–10.0 μg/mL (plasma) and 0.05–1.0 μg/mL (microdialysate) with coefficients of determination ≥0.999. The intra- and inter-day precision (coefficient of variation - CV%) values were ≤13.83% and 12.51% for plasma, respectively, and ≤10.90% and 9.35% for microdialysate, respectively. The accuracy was between 90.82% and 108.25% for plasma, and 96.97% and 106.98% for microdialysate. The present method was fully validated and applied to investigate clindamycin concentrations in both plasma and prostate by microdialysis in Wistar rats (80 mg/kg, intravenous). Because the penetration of antibiotics into the prostate may be restricted, this method allows us to investigate the prostate concentrations of clindamycin for the first time.     

Amorphous Silicon: New Insights into an Old Material

Amorphous silicon is synthesized by treating the tetrahalosilanes SiX₄ (X=Cl, F) with molten sodium in high boiling polar and non‐polar solvents such as diglyme or nonane to give a brown or a black solid showing different reactivities towards suitable reagents. With regards to their technical relevance, their stability towards oxygen, air, moisture, chlorine‐containing reaction partners RCl (R=H, Cl, Me) and alcohols is investigated. In particular, reactions with methanol are a versatile tool to deliver important products. Besides tetramethoxysilane formation, methanolysis of silicon releases hydrogen gas under ambient conditions and is thus suitable for a decentralized hydrogen production; competitive insertion into the MeO?H versus the Me?OH bond either yields H‐ and/or methyl‐substituted methoxy functional silanes. Moreover, compounds, such as Me_nSi(OMe)_4?n (n=0–3) are simply accessible in more than 75 % yield from thermolysis of, for example, tetramethoxysilane over molten sodium. Based on our systematic investigations we identified reaction conditions to produce the methoxysilanes Me_nSi(OMe)_4?n in excellent (n=0:100 %) to acceptable yields (n=1:51 %; n=2:27 %); the yield of HSi(OMe)₃ is about 85 %. Thus, the methoxysilanes formed might possibly open the door for future routes to silicon‐based products.     

Study of benznidazole–cyclodextrin inclusion complexes, cytotoxicity and trypanocidal activity

The current chemotherapy for Chagas disease is still based on benznidazole, which has low solubility, but complexation with cyclodextrins provides a way of increasing the solubility. The objective of this work was to characterize the inclusion complexes formed between benznidazole (BNZ) and randomly 2-methyled-β-cyclodextrin (RM-β-CD) in aqueous solution and study cytotoxicity and trypanocidal. BNZ:RM-β-CD solution complex systems were prepared and characterized using the phase solubility diagram, nuclear magnetic resonance and a photostability assays, also to investigate the in vitro trypanocidal activity with epimastigote forms of Trypanossoma cruzi and the study of cytotoxicity against mammal cells. The phase-solubility diagram displayed an A _L-type feature, providing evidence of the formation of soluble inclusion complexes. The continuous variation method showed the existence of a complex with 1:1 stoichiometry. Toxicity assays demonstrated that inclusion complexes were able to reduce the toxic effects caused by benznidazole alone and that this did not interfere with the trypanocidal activity of the benznidazole. The use of inclusion complexes benznidazole:cyclodextrin is thus a promising alternative for the development of a safe and stable liquid formulation and a new option for the treatment of Chagas disease.     

Hybrid sol–gel silica adsorbent materials synthesized by molecular imprinting for tannin removal

Journal of Sol-Gel Science and Technology - This study reports the development of a functional adsorbent synthesized by the molecular imprinting method in a sol–gel matrix. The adsorption...     

Two-dimensional Rietveld analysis of celluloses from higher plants

The Rietveld method is a versatile tool to parameterize the fine structure of crystallites analyzed by diffraction. The method relies on a crystallographic model representing what is known a priori, and free coefficients determined from fits to experimental data. This article provides an introduction to Rietveld analysis of celluloses from higher plants that are adequately described by the cellulose Iβ crystal structure. Possibilities of Rietveld analysis have been recently enhanced by a tailored crystallographic model and computational algorithm, named Cellulose Rietveld Analysis for Fine Structure (CRAFS). From each two-dimensional diffraction pattern, CRAFS automated analysis outputs unit cell parameters, crystallite sizes, peak profile functions, integrated crystalline intensity (proportional to cellulose degree of crystallinity), and crystallite orientation distribution function. Two of the major hurdles for analysis of plant cellulose—overlapping of diffraction peaks and preferred crystallite orientation—are consistently treated by the two-dimensional Rietveld analysis. Hence, the method is a unique tool to explore cellulose fine structural variability, with differences arising from specimen conditioning, processing, and biological origins.     

Trends in single-cell analysis by use of ICP-MS

The analysis of single cells is a growing research field in many disciplines such as toxicology, medical diagnosis, drug and cancer research or metallomics, and different methods based on microscopic, mass spectrometric, and spectroscopic techniques are under investigation. This review focuses on the most recent trends in which inductively coupled plasma mass spectrometry (ICP-MS) and ICP optical emission spectrometry (ICP-OES) are applied for single-cell analysis using metal atoms being intrinsically present in cells, taken up by cells (e.g., nanoparticles), or which are artificially bound to a cell. For the latter, especially element tagged antibodies are of high interest and are discussed in the review. The application of different sample introduction systems for liquid analysis (pneumatic nebulization, droplet generation) and elemental imaging by laser ablation ICP-MS (LA-ICP-MS) of single cells are highlighted. Because of the high complexity of biological systems and for a better understanding of processes and dynamics of biologically or medically relevant cells, the authors discuss the idea of “multimodal spectroscopies.”