Thermal conductivity distributed from a Thermal Response Test (TRT) in a borehole heat exchanger (BHE)

The Thermal Response Test (TRT) is the most versatile tool to determine the thermal propriety of the underground for designing and sizing of the borehole heat exchangers (BHE). The TRT permits to get the average thermal conductivity (λ) across the whole stratigraphy, the thermal resistance (Rb) of the borehole / grout / rocks and the undisturbed temperature of the soil (Tg). The ground temperature is influenced by climate, topographical, geological and hydrological factors. Vertical temperature changes allows to get the relationships with the lithology and especially with the groundwater. Vertical temperature log, acquired during and after the TRT, permits to calculate the distributed thermal conductivity over each stratigraphic interval. This method permits to verify how the different lithologies and the groundwater contribute to the heat exchange in the borehole/ground system, so called geoexchange. The experimental site test indicates that the marls and clayed-marls levels show a higher thermal inertia than the sandstone ones and then lower values of thermal conducivity. The sandstones have a higher thermal conductivity with a rapid cooling and they provide the main contribution to the ground heat exchange. The distributed thermal conductivity is an useful tool for designing the BHE with the best performance, a better economic return and with low environmental impacts

Effect of Size, Shape and Surface Functionalization on the Antibacterial Activity of Silver Nanoparticles

Silver nanoparticles (AgNPs) are the most investigated antibacterial agents against multidrug resistant (MDR) pathogens. They can lead to cellular death by means of different mechanisms, damaging several cell compartments, from the external membrane, to enzymes, DNA and proteins; this simultaneous attack amplifies the toxic effect on bacteria with respect to traditional antibiotics. The effectiveness of AgNPs against MDR bacteria is strongly correlated with their chemical and morphological properties, which influence the pathways involved in cellular damage. In this review, AgNPs’ size, shape and modification by functional groups or other materials are reported, both to investigate the different synthetic pathways correlated with nanoparticles’ modifications and to evaluate the related effect on their antibacterial activity. Indeed, understanding the synthetic conditions for obtaining performing antibacterial AgNPs could help to tailor new and improved silver-based agents to combat multidrug resistance

Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations

The permeation of small-molecule drugs across a phospholipid membrane bears much interest both in the pharmaceutical sciences and in physical chemistry. Connecting the chemistry of the drug and the lipids to the resulting thermodynamic properties remains of immediate importance. Here we report molecular dynamics (MD) simulation trajectories using the coarse-grained (CG) Martini force field. A wide, representative coverage of chemistry is provided: across solutes-exhaustively enumerating all 105 CG dimers-and across six phospholipids. For each combination, umbrella-sampling simulations provide detailed structural information of the solute at all depths from the bilayer midplane to bulk water, allowing a precise reconstruction of the potential of mean force. Overall, the present database contains trajectories from 15,120 MD simulations. This database may serve the further identification of structure-property relationships between compound chemistry and drug permeability

Recent Applications of Melanin-like Nanoparticles as Antioxidant Agents

Nanosized antioxidants are highly advantageous in terms of versatility and pharmacokinetics, with respect to conventional molecular ones. Melanin-like materials, artificial species inspired by natural melanin, combine recognized antioxidant (AOX) activity with a unique versatility of preparation and modification. Due to this versatility and documented biocompatibility, artificial melanin has been incorporated into a variety of nanoparticles (NP) in order to give new platforms for nanomedicine with enhanced AOX activity. In this review article, we first discuss the chemical mechanisms behind the AOX activity of materials in the context of the inhibition of the radical chain reaction responsible for the peroxidation of biomolecules. We also focus briefly on the AOX properties of melanin-like NP, considering the effect of parameters such as size, preparation methods and surface functionalization on them. Then, we consider the most recent and relevant applications of AOX melanin-like NPs that are able to counteract ferroptosis and be involved in the treatment of important diseases that affect, e.g., the cardiovascular and nervous systems, as well as the kidneys, liver and articulations. A specific section will be dedicated to cancer treatment, since the role of melanin in this context is still very debated. Finally, we propose future strategies in AOX development for a better chemical understanding of melanin-like materials. In particular, the composition and structure of these materials are still debated, and they present a high level of variability. Thus, a better understanding of the mechanism behind the interaction of melanin-like nanostructures with different radicals and highly reactive species would be highly advantageous for the design of more effective and specific AOX nano-agents

Statistical characterization of residual noise in the low-rank approximation filter framework, general theory and application to hyperpolarized tracer spectroscopy

The use of low-rank approximation filters in the field of NMR is increasing due to their flexibility and effectiveness. Despite their ability to reduce the Mean Square Error between the processed signal and the true signal is well known, the statistical distribution of the residual noise is still undescribed. In this article, we show that low-rank approximation filters are equivalent to linear filters, and we calculate the mean and the covariance matrix of the processed data. We also show how to use this knowledge to build a maximum likelihood estimator, and we test the estimator's performance with a Montecarlo simulation of a 13C pyruvate metabolic tracer. While the article focuses on NMR spectroscopy experiment with hyperpolarized tracer, we also show that the results can be applied to tensorial data (e.g. using HOSVD) or 1D data (e.g. Cadzow filter).Comment: 26 pages, 7 figure

Quercetin loaded gelatin films with modulated release and tailored anti-oxidant, mechanical and swelling properties

Quercetin, a flavonoid widely diffused in fruits and vegetables, is known for its good pharmacological qualities, such as anti-oxidant and anti-inflammatory properties. In this work, we loaded quercetin on gelatin films with the aim to develop materials with tailored anti-oxidant, mechanical and stability properties. To this purpose, gelatin films at increasing flavonoid content were prepared using two different solvents, namely H2O/EtOH (EtOH films) and DMSO (DMSO films). Quercetin content increased up to about 3.8 and 1.8 wt% in DMSO and EtOH films, respectively. The use of DMSO as solvent prevents the partial regain of collagen triple helix structure during gelling of gelatin sols and results in remarkable extensibility of the films. At variance, EtOH films display X-ray diffraction patterns and DSC plots in agreement with the presence of triple helix structure, and exhibit reduced swelling and increasing mechanical properties on increasing quercetin content. Moreover, their values of denaturation enthalpy indicate the presence of chemical interaction between the flavonoid and gelatin, which can be responsible of their lower quercetin release in PBS in comparison to DMSO films. The flavonoid release is sustained for both series of films and occurs through anchorage to gelatin nanoparticles. Moreover, both DMSO and EtOH functionalized films exhibit relevant anti-oxidant properties, in agreement with their RSA levels, which are comparable to that of pure quercetin

Seismostratigraphic and structural setting of the Malvinas Basin and its southern margin (Tierra del fuego Atlantic offshore)

New multichannel seismic reflection profiles acquired off the Tierra del Fuego Atlantic margin, from the southern part of the Malvinas foreland basin to the inner sector of the Magallanes fold and thrust belt, combined with available commercial profiles and exploration wells, allowed to outline the sedimentary architecture of the foreland basin and the structure of its deformed southern margin. Five major unconformities were differentiated within the sedimentary fill of the southern Malvinas basin, which neighbours the offshore extension of the Magallanes basin in Tierra del Fuego. The unconformity-bounded units record the corresponding major evolutionary tectonostratigraphic phases of the southern part of the Malvinas basin, and the development of the Magallanes fold-and thrust belt during Mesozoic and Cenozoic times: Unit 1 - Pre-Jurassic basement; Unit 2 - Rift phase (Middle - Upper Jurassic); Unit 3 - Sag phase (Lower – Upper Cretaceous); Unit 4 – Foredeep transitional phase (Upper Cretaceous - Middle Eocene); Unit 5 - Foreland phase (Middle Eocene - Pleistocene). The southern edge of the Malvinas basin corresponds to the imbricate basement wedges of the Fuegian Cordillera, which shows a thick-skin structural style developed as a consequence of the Middle Tertiary Andean compressional tectonic phase. Large folds, with low angle NE-verging thrusts propagated the shortening basin-ward at shallow structural levels. These structures are superimposed by an array of left-lateral strike-slip lineaments pertaining to the EW trending Magallanes-Fagnano fault system. In the Tierra del Fuego region these structures represent the western segment of the South America – Scotia plate boundary. Several Neogene pull-apart basins were formed along the principal deformation zone in correspondence of step-overs and releasing bends. These basins show an evident asymmetry in the sedimentary architecture, and are bounded by sub-vertical faults that in some cases reach the sea-floor. Other transtensional features were also recognized in the inner sector of the fold-and-thrust belt together with the formation of restricted pull-apart basins