National Institute Of Materials Physics - Romania

The paper presents a study concerning the role of ferroelectric filler size and clustering in the dielectric properties of 20%BaTiO3-80%PVDF and of 20% (2%Ag-98%BaTiO3)-PVDF hybrid nanocomposites. By finite element calculations, it was shown that using fillers with epsilon > 103 does not provide a permittivity rise in the composites and the effective dielectric constant tends to saturate to specific values determined by the filler size and agglomeration degree. Irrespective of the ferroelectric filler sizes, the addition of metallic ultrafine nanoparticles (Ag) results in permittivity intensification and the effect is even stronger if the metallic nanoparticles are connected to a higher degree with the ferroelectric particles' surfaces. When using coarse ferroelectric fillers, the probability of clustering is higher, thus favoring the permittivity increase by field concentration in small regions close to the interfaces separating dissimilar materials. The modeling results were validated by an experimental dielectric analysis performed in a series of PVDF-based thick films with the same amount of BaTiO3 fillers or with Ag-BaTiO3 hybrid fillers. Similar trends as predicted by simulations were found experimentally but with slightly higher permittivity values which were assigned to the modifications of the polymer phase composition due to the presence of nanofillers and the local sample inhomogeneity (the presence of clustering, in particular for coarse BaTiO3 grains), which create regions with enhanced local fields.

The aim of this paper is to provide a simple and efficient photoassisted approach to synthesize silver nanoparticles, and to elucidate the role of the key factors (synthesis parameters, such as the concentration of TSC, irradiation time, and UV intensity) that play a major role in the photochemical synthesis of silver nanoparticles using TSC, both as a reducing and stabilizing agent. Concomitantly, we aim to provide an easy way to evaluate the particle size based on Mie theory. One of the key advantages of this method is that the synthesis can be "activated" whenever or wherever silver nanoparticles are needed, by premixing the reactants and irradiating the final solution with UV radiation. UV irradiance was determined by using Keitz's theory. This argument has been verified by premixing the reagents and deposited them in an enclosed space (away from sunlight) at 25 degrees C, then checking them for three days. Nothing happened, unless the sample was directly irradiated by UV light. Further, obtained materials were monitored for 390 days and characterized using scanning electron microscopy, UV-VIS, and transmission electron microscopy.

Photocatalytic conversion of H2O, CO2 and N-2 represents one promising approach to harvest and store solar energy, for which efficient visible light responsive semiconductors are inevitable. Often, the presence of a small amount of an additional component called a "cocatalyst", is required to synergistically enhance the performance of the photocatalyst. Tremendous efforts were made in the past to identify inexpensive materials to be used as cocatalysts, for which metal oxides (MOs) are one of the traditional choices. Among alternative categories of materials investigated, the recently discovered MXenes display enormous potential owing to their unique 2D layered structure, tuneable composition, abundant surface functionalities and superior electronic conductivity. Specifically, MOs and MXenes encompass a variety of distinct as well as analogous characteristics that allows them to be tailored to different extents. Unfortunately, a comprehensive overview covering the synthetic, structural and photocatalytic aspects of MOs and MXenes is not available as of now. Herein, we intend to summarize the progress achieved so far in these two families of materials to be used as cocatalysts for the photoconversion of H2O, CO2 and N-2. Followed by a general introduction, we briefly outline the fundamental principles and the role of cocatalysts in photocatalytic reactions. A discussion regarding the use of MOs and MXenes as cocatalysts for the conversion of H2O, CO2 and N-2 is then provided in separate sections. Critical assessment regarding structure and morphology control, surface properties and stability concerns can not only help to recognize the challenges that limit further advancement, but can also highlight the future research directions of these materials for the effective transformation of H2O, CO2 and N-2.

The treatment of wounds occurring accidentally or as a result of chronic diseases most frequently requires the use of appropriate dressings, mainly to ensure tissue regeneration/healing, at the same time as treating or preventing potential bacterial infections or superinfections. Collagen type I-based scaffolds in tandem with adequate antimicrobials can successfully fulfill these requirements. In this work, starting from the corresponding hydrogels, we prepared a series of freeze-dried atelocollagen type I-based matrices loaded with tannic acid (TA) and chlorhexidine digluconate (CHDG) as active agents with a broad spectrum of antimicrobial activity and also as crosslinkers for the collagen network. The primary aim of this study was to design an original and reliable algorithm to in vitro monitor and kinetically analyze the simultaneous release of TA and CHDG from the porous matrices into an aqueous solution of phosphate-buffered saline (PBS, pH 7.4, 37 degrees C) containing micellar carriers of a cationic surfactant (hexadecyltrimethylammonium bromide, HTAB) as a release environment that roughly mimics human extracellular fluids in living tissues. Around this central idea, a comprehensive investigation of the lyophilized matrices (morpho-structural characterization through FT-IR spectroscopy, scanning electron microscopy, swelling behavior, resistance against the collagenolytic action of collagenase type I) was carried out. The kinetic treatment of the release data displayed a preponderance of non-Fickian-Case II diffusion behavior, which led to a general anomalous transport mechanism for both TA and CHDG, irrespective of their concentrations. This is equivalent to saying that the release regime is not governed only by the gradient concentration of the releasing components inside and outside the matrix (like in ideal Fickian diffusion), but also, to a large extent, by the relaxation phenomena of the collagen network (determined, in turn, by its crosslinking degree induced by TA and CHDG) and the dynamic capacity of the HTAB micelles to solubilize the two antimicrobials. By controlling the degree of physical crosslinking of collagen with a proper content of TA and CHDG loaded in the matrix, a tunable, sustainable release profile can be obtained.

Proteins are vital components of living cells and the loss of their native functions has been associated with a wide variety of medical conditions. From this point of view, investigation of the protein microenvironment is crucial to support the development of therapeutic approaches capable of ensuring cellular functions. Therefore, analytical assays for the detection, quantification, and characterization of proteins, drugs, and protein-drug complexes play an essential role in fundamental research and clinical applications. Electrochemistry arises as an alternative methodology for fast assessment of proteins and drugs and is attractive due to the adaptability to miniaturization and scalability of electroanalytical devices, which then can be further employed as strategies towards personalized medical care. Thus, this review summarizes electrochemical investigations in the past 10 years on protein-based analytical devices and biosensors. A general overview of electrochemical assays that integrate proteins with nanostructured materials and conductive polymers is presented. Applications of electrochemical assays and biosensors were divided into four categories. First, those designed for drug screening strategies that focus on targeting specific intracellular, extracellular, or membrane protein subdomains to modulate their functions, aggregation/misfolding of proteins, and protein degradation pathways. Then, drug metabolism assays that involve mimicking natural metabolic pathways to identify potential safety and efficacy issues related to a drug or its metabolites. The third was dedicated to electrochemical drug delivery systems with anchored drugs in the form of bioconjugates, while the fourth was dedicated to electroanalytical methodologies for quantitative drug assays, where the electroactivity of the target species is often used to correlate the electrochemical signal to their concentration.

The purpose of the work is the synthesis and characterization of TiO2 nanoparticles. These were obtained by two different methods, precipitation and sol-gel, starting from titanium(IV) isopropoxide and calcining at 500 degrees C for 2 h. The compositional, structural, morphological and optical properties of the resulting powders were investigated by energy dispersive X-ray spectroscopy, Fourier transform infrared spectroscopy, X-ray diffraction, Raman spectroscopy, scanning electron microscopy, reflectance spectroscopy and photoluminescence spectroscopy. The thermally treated samples contain TiO2 as single phase with tetragonal structure, known as anatase. SEM analysis showed quasi-spherical particles with a diameter of few nanometres for the calcined samples, while the optical studies revealed band gap values of 3.04 and 3.17 eV, as a function of the preparation route.

A numerical algorithm for interface analysis of wicking drops was developed. The code identifies the interface points and subsequently calculates the diameter, volume and contact angle of the drop. As the code can work with multiple frames, it can evaluate the evolution in time of these parameters and calculate the spreading velocity and the flow rate. The performance of the code was tested with solutions of poly(ethylene oxide) of 0.5% and 5% (w/v) concentration. The mean execution time was 0.5 seconds per frame. Therefore, the code can greatly improve the analysis of fluids wicking in porous media, where numerous frames are involved.

In this work, polyvinylidene fluoride (PVDF) fibres loaded with mineral powders, such as titanium dioxide (TiO2), barium titanate (BaTiO3), and calcium magnesium silicate (CaxMgSi2Oy), were prepared by electrospinning polymeric suspensions containing 20 wt.% PVDF and 3 wt.% powder. The piezoelectric polymer was combined with powders having antibacterial, piezoelectric, or bioactive properties, respectively, in the desire to obtain multifunctional materials compatible with the requirements of the medical field. All powders were characterized in terms of morphology and crystalline structure, which confirmed the nanometric character of TiO2 samples and micrometric one for the other two, as well as the lower crystallite size for TiO2 specimens as against BaTiO3 and CaxMgSi2Oy. The final fibrous scaffolds were homogeneous, composed of individual fibres with a diameter below 1 mu m and decorated with aggregates of inorganic particles, placed either inside the fibres or attached to their surface. The biological evaluation demonstrated the superiority of the composites towards the plain polymer in terms of cell viability.

In this study, we evaluate the feasibility of using quantum neural networks for classifying gravitational waveforms, using both simulators and quantum computers. The analysis is quite interdisciplinary in its nature, combining knowledge involving astrophysics, quantum information as well as quantum and classical machine learning. We showed that the quantum classifiers and hybrid classical-quantum layers give highly accurate results when tested on a simple dataset and ran on a simulator; also, adding a quantum layer to poorly performing classical neural network can highly improve its accuracy. When running on a real quantum computer, error minimizing algorithms need to be implemented in order to obtain a satisfying accuracy.

Mg2Si thermoelectric compound was obtained by dry and wet (isohexane and benzene) mechanical alloying route. The Mg2Si compound was characterised by X-ray diffraction, scanning electron microscopy (SEM), differential scanning calorimetry (DSC), laser particle size analysis and thermoelectric measurements. After 14 h of milling, the complete reaction of the elements is achieved by both routes. The powders particle size distribution obtained after 14 h of dry or wet milling (using benzene) reveals a bimodal curve. The wet milling moves the particle size distribution towards smaller particle sizes. The SEM analysis confirms the results of particles size analysis. DSC analyses performed for samples milled up to 14 h present stress relief and recrystallisation thermal events. For the benzene wet-milled sample, the DSC curve shows an additional thermal event at 350'C, associated with benzene removal. Thermoelectric properties were determined on spark plasma sintered compacts. The milling process with benzene leads to a higher value of Seebeck coefficient (z580 mV/K). The electrical conductivity is low at room temperature and increases exponentially with temperature. (c) 2023 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).