Environmental Life Cycle Assessment of marine sediment decontamination by citric acid enhanced-microwave heating.

The potential ability of microwave heating (MWH) for the remediation of marine sediments affected by severe hydrocarbon (HC) contamination was investigated. Decontamination effectiveness and environmental sustainability through a comparative Life Cycle Assessment (LCA) were addressed. Main results revealed that the application of a 650-W MWH treatment resulted in a rapid (15min) HC removal. A citric acid (CA) dose of 0.1M led to enhanced-HC removals of 76.9, 96.5 and 99.7% after 5, 10 and 15min of MW irradiation, respectively. The increase in CA dose to 0.2M resulted in a shorter successful remediation time of 10min. The exponential kinetic model adopted showed a good correlation with the experimental data with R2 values in the 0.913-0.987 range. The nature of the MW treatment was shown to differently influence the HC fraction concentration after the irradiation process. Achieved HC removals in such a short remediation time are hardly possible by other clean-up techniques, making the studied treatment a potential excellent choice. Removal mechanisms, which allowed the enhanced-MWH to operate as a highly effective multi-step technique (pure thermal desorption+chemical washing), undoubtedly represent a key factor in the whole remediation process. The LCA highlighted that the MW technology is the most environmentally sustainable alternative for sediment decontamination applications, with a total damage, which was 75.74% lower than that associated with the EK (0.0503pt).

Regulation of hSos1 activity is a system-level property generated by its multi-domain structure.

The multi-domain protein hSos1 plays a major role in cell growth and differentiation through its Ras-specific guanine nucleotide exchange domain whose complex regulation involves intra-molecular, inter-domain rearrangements. We present a stochastic mathematical model describing intra-molecular regulation of hSos1 activity. The population macroscopic effect is reproduced through a Monte-Carlo approach. Key model parameters have been experimentally determined by BIAcore analysis. Complementation experiments of a Saccharomyces cerevisiae cdc25(ts) strain with Sos deletion mutants provided a comprehensive data set for estimation of unknown parameters and model validation. The model is robust against parameter alteration and describes both the behavior of Sos deletion mutants and modulation of activity of the full length molecule under physiological conditions. By incorporating the calculated effect of amino acid changes at an inter-domain interface, the behavior of a mutant correlating with a developmental syndrome could be simulated, further validating the model. The activation state of Ras-specific guanine nucleotide exchange domain of hSos1 arises as an "emergent property" of its multi-domain structure that allows multi-level integration of a complex network of intra- and inter-molecular signals.

Computational challenges of tumor spheroid modeling.

The speed and the versatility of today's computers open up new opportunities to simulate complex biological systems. Here we review a computational approach recently proposed by us to model large tumor cell populations and spheroids, and we put forward general considerations that apply to any fine-grained numerical model of tumors. We discuss ways to bypass computational limitations and discuss our incremental approach, where each step is validated by experimental observations on a quantitative basis. We present a few results on the growth of tumor cells in closed and open environments and of tumor spheroids. This study suggests new ways to explore the initial growth phase of solid tumors and to optimize antitumor treatments.

Modular model of TNFalpha cytotoxicity.

MOTIVATION: Tumour Necrosis Factor alpha (TNF) initiates a complex series of biochemical events in the cell upon binding to its type R1 receptor (TNF-R1). Recent experimental work has unravelled the molecular regulation of the signalling complexes that lead either to cell survival or death. Survival signals are activated by direct binding of TNF to TNF-R1 at the cell membrane whereas apoptotic signals by endocytosed TNF/TNF-R1 complexes. Here we describe a reduced, effective model with few free parameters, where we group some intricate mechanisms into effective modules, that successfully describes this complex set of actions. We study the parameter space to show that the model is structurally stable and robust over a broad range of parameter values. RESULTS: We use state-of-the-art Bayesian methods (a Sequential Monte Carlo sampler) to perform inference of plausible values of the model parameters from experimental data. As a result, we obtain a robust model that can provide a solid basis for further modelling of TNF signalling. The model is also suitable for inclusion in multi-scale simulation programs that are presently under development to study the behaviour of large tumour cell populations. AVAILABILITY: We provide supplementary material that includes all mathematical details and all algorithms (Matlab code) and models (SBML descriptions). CONTACT: edoardo.milotti@ts.infn.it

A control theory approach to clock steering techniques.

Several clock and time scale steering methods have been developed according to different viewpoints by various time laboratories. By resorting to control theory ideas, we propose a common theoretical framework encompassing these methods. A comparison of the most common steering methodologies, namely, the classical steering approach, the GPS bang-bang method, and the linear quadratic Gaussian technique, is carried out. We believe that the use of control theory methods can potentially lead to a better understanding of clock steering algorithms.