Synthesis,Computational Studies and Assessment of in Vitro Activity of Squalene Derivatives as Carbonic Anhydrase Inhibitors

We report novel molecules incorporating the nontoxic squalene scaffold and different carbonic anhydrase inhibitors (CAIs). Potent inhibitory action, in the low-nanomolar range, was detected against isoforms hCA II for sulfonamide derivatives, which proved to be selective against this isoform over the tumor-associate hCA IX and XII isoforms. On the other hand, coumarin derivatives showed weak potency but high selectivity against the tumor-associated isoform CA IX. These compounds are interesting candidates for preclinical evaluation in glaucoma or various tumors in which the two enzymes are involved. In addition, an in silico study of inhibitor-bound hCA II revealed extensive interactions with the hydrophobic pocket of the active site and provided molecular insights into the binding properties of these new inhibitors.     

Coordination‐Assisted Bioorthogonal Chemistry: Orthogonal Tetrazine Ligation with Vinylboronic Acid and a Strained Alkene

Bioorthogonal chemistry can be used for the selective modification of biomolecules without interfering with any other functionality that might be present. Recent developments in the field include orthogonal bioorthogonal reactions to modify multiple biomolecules simultaneously. During our research, we observed that the reaction rates for the bioorthogonal inverse‐electron‐demand Diels–Alder (iEDDA) reactions between nonstrained vinylboronic acids (VBAs) and dipyridyl‐s‐tetrazines were exceptionally higher than those between VBAs and tetrazines bearing a methyl or phenyl substituent. As VBAs are mild Lewis acids, we hypothesised that coordination of the pyridyl nitrogen atom to the boronic acid promoted tetrazine ligation. Herein, we explore the molecular basis and scope of VBA–tetrazine ligation in more detail and benefit from its unique reactivity in the simultaneous orthogonal tetrazine labelling of two proteins modified with VBA and norbornene, a widely used strained alkene. We further show that the two orthogonal iEDDA reactions can be performed in living cells by labelling the proteasome by using a nonselective probe equipped with a VBA and a subunit‐selective VBA bearing a norbornene moiety.     

Transient thermal response of a PCS heat storage system

Over the last years the use of phase change slurries (PCSs) based on microencapsulated phase change material (MEPCM) increased considerably due to their capacity of adaptation to various heat storage systems. PCSs are obtained by dispersing a microencapsulated PCM (particle diameter 5-20 μm) into a heat carrier fluid (e.g. water). Heat storage systems are used in applications where the available energy supply is not synchronous with the demand, such as solar thermal and waste heat recovery systems. The theoretical study conducted here - based on heat transfer and energy conservation equations - is intended to developing a theoretical model of the heat storage properties of phase change slurries capable of predicting the transient thermal response of a thermal energy storage system (TES). Most of the research work was focused on investigating the enthalpy-temperature curves resulting from a heating-cooling cycle around the melting point of the PCM. The influence of other parameters such as mico-particles diameter was assessed.     

Specific Heat of Olive Oil to 356 MPa

We measured the velocity of sound in olive oil under pressure with the Brillouin light scattering technique. Using the values for the density and the thermal conductivity that have only recently been reported, we calculated the adiabatic compressibility and the isobaric specific heat up to 356 MPa and the thermal diffusivity up to 200 MPa. The specific heat displays a maximum at 124 MPa, suggesting a possible phase transition around this pressure. Apart from the theoretical and practical importance of these results for the food industry and beyond, this work shows that Brillouin light scattering and macroscopic methods are complementary and can be employed to measure thermophysical parameters of food liquids under pressure.     

Carbon nanotube air-bubble interactions studied by atomic force microscopy

Interaction forces between a multi-walled carbon nanotube (MWCNT) and an air-bubble in pure deionized water and methyl isobutyl carbinol (MIBC) solutions were measured by atomic force microscopy (AFM). The MWCNT terminated probe was brought into contact with the bubble at controlled applied forces. The repulsive steps followed by attractive jumps recorded in the approach force curves correspond to changes in the MWCNT diameter along its length, an observation confirmed by transmission electron microscopy (TEM) data. By processing the retraction part of the force curves obtained in pure water it is possible to estimate the end diameter of the carbon nanotube with nanometer resolution using a capillary force model.     

A Survey of Symbolic Methods in Computational Analysis of Cryptographic Systems

Since the 1980s, two approaches have been developed for analyzing security protocols. One of the approaches relies on a computational model that considers issues of complexity and probability. This approach captures a strong notion of security, guaranteed against all probabilistic polynomial-time attacks. The other approach relies on a symbolic model of protocol executions in which cryptographic primitives are treated as black boxes. Since the seminal work of Dolev and Yao, it has been realized that this latter approach enables significantly simpler and often automated proofs. However, the guarantees that it offers with respect to the more detailed computational models have been quite unclear. For more than 20 years the two approaches have coexisted but evolved mostly independently. Recently, significant research efforts attempt to develop paradigms for cryptographic systems analysis that combines the best of both worlds. There are two broad directions that have been followed. Computational soundness aims to establish sufficient conditions under which results obtained using symbolic models imply security under computational models. The direct approach aims to apply the principles and the techniques developed in the context of symbolic models directly to computational ones. In this paper we survey existing results along both of these directions. Our goal is to provide a rather complete summary that could act as a quick reference for researchers who want to contribute to the field, want to make use of existing results, or just want to get a better picture of what results already exist.     

Analysis and mathematical modelling of the behaviour of Escherichia coli in the mascarpone cheese during cold storage

The aim of this work was to study the behaviour of E. coli in mascarpone cheese during storage at the temperatures ranging from 3 to 15 °C, as well as application of predictive microbiology to describe the experimental data. The Baranyi, Gompertz and logistic models were fitted at the stage of primary modelling. Although all applied primary models described the growth of micro‐organisms accurately, the most accurate goodness of fit was obtained for the Gompertz model and the growth rates generated by this model were used for secondary modelling. The polynomial model predicted accurately the influence of temperature on the growth rate of E. coli, reaching the adjusted coefficient of linear regression 0.99. Generated predictive model that describes the growth of E. coli in mascarpone cheese constitutes a valuable tool in assessing the microbiological stability of the food product with similar physicochemical properties.     

Review of adaptation mechanisms for data-driven soft sensors

In this article, we review and discuss algorithms for adaptive data-driven soft sensing. In order to be able to provide a comprehensive overview of the adaptation techniques, adaptive soft sensing methods are reviewed from the perspective of machine learning theory for adaptive learning systems. In particular, the concept drift theory is exploited to classify the algorithms into three different types, which are: (i) moving windows techniques; (ii) recursive adaptation techniques; and (iii) ensemble-based methods. The most significant algorithms are described in some detail and critically reviewed in this work. We also provide a comprehensive list of publications where adaptive soft sensors were proposed and applied to practical problems. Furthermore in order to enable the comparison of different methods to standard soft sensor applications, a list of publicly available data sets for the development of data-driven soft sensors is presented.