National Institute Of Materials Physics - Romania

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91. Facile synthesis of low toxicity iron oxide/TiO2 nanocomposites with hyperthermic and photo-oxidation properties
Authors: Popescu, T; Matei, CO; Culita, DC; Maraloiu, VA; Rostas, AM; Diamandescu, L; Iacob, N; Savopol, T; Ilas, MC; Feder, M; Lupu, AR; Iacoban, AC; Vlaicu, ID; Moisescu, MG

Published: APR 27 2022, SCIENTIFIC REPORTS, 12, 6887, DOI: 10.1038/s41598-022-11003-3

The present study aimed to assess the feasibility of developing low-cost multipurpose iron oxide/TiO2 nanocomposites (NCs) for use in combined antitumor therapies and water treatment applications. Larger size (approximate to 100 nm) iron oxide nanoparticles (IONPs) formed magnetic core-TiO2 shell structures at high Fe/Ti ratios and solid dispersions of IONPs embedded in TiO2 matrices when the Fe/Ti ratio was low. When the size of the iron phase was comparable to the size of the crystallized TiO2 nanoparticles (approximate to 10 nm), the obtained nanocomposites consisted of randomly mixed aggregates of TiO2 and IONPs. The best inductive heating and ROS photogeneration properties were shown by the NCs synthesized at 400 degrees C which contained the minimum amount of alpha-Fe2O3 and sufficiently crystallized anatase TiO2. Their cytocompatibility was assessed on cultured human and murine fibroblast cells and analyzed in relation to the adsorption of bovine serum albumin from the culture medium onto their surface. The tested nanocomposites showed excellent cytocompatibility to human fibroblast cells. The results also indicated that the environment (i.e. phosphate buffer or culture medium) used to disperse the nanomaterials prior to performing the viability tests can have a significant impact on their cytotoxicity.
92. Robust Electronic Structure of Manganite-Buffered Oxide Interfaces with Extreme Mobility Enhancement
Authors: Li, H; Gan, YL; Husanu, MA; Dahm, RT; Christensen, DV; Radovic, M; Sun, JR; Shi, M; Shen, BG; Pryds, N; Chen, YZ

Published: APR 26 2022, ACS NANO, 16, DOI: 10.1021/acsnano.2c00609

The electronic structure as well as the mechanism underlying the high-mobility two-dimensional electron gases (2DEGs) at complex oxide interfaces remain elusive. Herein, using soft X-ray angle-resolved photoemission spectroscopy (ARPES), we present the band dispersion of metallic states at buffered LaAlO3/SrTiO3 (LAO/STO) heterointerfaces where a single-unit-cell LaMnO3 (LMO) spacer not only enhances the electron mobility but also renders the electronic structure robust toward X-ray radiation. By tracing the evolution of band dispersion, orbital occupation, and electron-phonon interaction of the interfacial 2DEG, we find unambiguous evidence that the insertion of the LMO buffer strongly suppresses both the formation of oxygen vacancies as well as the electron-phonon interaction on the STO side. The latter effect makes the buffered sample different from any other STO-based interfaces and may explain the maximum mobility enhancement achieved at buffered oxide interfaces.
93. Half-metallic properties of Zr2CrAl ferrimagnetic full-Heusler compound, investigated in tetragonal, orthorhombic and rhombohedral crystal structures
Authors: Birsan, A; Kuncser, V

Published: APR 15 2022, JOURNAL OF ALLOYS AND COMPOUNDS, 900, 163491, DOI: 10.1016/j.jallcom.2021.163491

The research efforts focused on the implementation of Heusler materials into spintronic heterostructures triggered the investigations on the half-metallic and magnetic properties on Zr2CrAl ferrimagnetic com-pound.The theoretical investigations based on Density Functional Theory were performed on the tetragonal,orthorhombic and rhombohedral distortions of the typical inverse-Heusler cubic crystalline structure, previously reported. The compound exhibits half-metallic characteristics for all deformations considered. The slight variations in volume of the unit cell do not destroy the high spin polarization state.The band gap from minority spin channel slightly decreases in orthorhombic and rhombohedral deformations.The total magnetic moment calculated per formula unit is integer (equal to 1(mu B)/f.u.) and follows the Slater-Pauling rule for all cases investigated. The antiferromagnetic coupling between the Zr and Cratoms was preserved. The functionality of ferrimagnetic full-Heusler alloys to be used as overlayers in the production of epitaxially deposited heterostructures on substrates with crystalline structures other than cubic was proven. (C) 2021 Elsevier B.V. All rights reserved.
94. Electrochemical quantification of levothyroxine at disposable screen-printed electrodes
Authors: David, M; Serban, A; Enache, TA; Florescu, M

Published: APR 15 2022, JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 911, 116240, DOI: 10.1016/j.jelechem.2022.116240

The concentration of thyroxine hormone is linked to a large variety of medical conditions, where the best therapy is hormone substitution, through administration of levothyroxine (LT4) medication. Herewith, the detection of these biomolecules still lacks a simple, reliable tool, such as label-free sensors.In this work, the performances of commercial screen-printed carbon electrodes, containing different nanostructured materials (carbon nanotubes, graphene, and gold nanoparticles), used as sensors for LT4 detection, were described and compared. Electrochemical methods were used for the characterization of the nanostructure-based sensors. Several optimization steps were undertaken to achieve optimum performances for selective LT4 quantification. The redox behaviour of LT4 at sensors surface together with the interfacial changes, which occur due to the interaction between nanostructures and LT4, were studied by electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV). Differential pulse voltammetry (DPV) was used for LT4 detection, where best performances were obtained in the presence of carbon nanotubes, with a detection limit of 30 nM.
95. Effect of dopants on the optical properties of benzil crystals
Authors: Stanculescu, F; Socol, M; Rasoga, O; Preda, N; Ionita, I; Petre, G; Breazu, C; Stanculescu, A

Published: APR 15 2022, JOURNAL OF CRYSTAL GROWTH, 584, 126577, DOI: 10.1016/j.jcrysgro.2022.126577

Single-doped [Ag, Na, iodine, naphthalene (Naph), meta-dintrobenzene (m-DNB)] and double-doped, organic-inorganic (Naph + iodine; m-DNB + iodine) benzil (Bz) crystals have been grown from melt in a Bridgman-Stockbarger configuration. All crystals have been grown in the same experimental conditions, temperature variation at the growth interface = 30 K and moving speed of the growth ampoule = 1 mm/h. These conditions have been estimated from the theoretical analysis involving the solution of the classical (conventional) Stefan problem for flat solid-liquid interface in the boundary conditions imposed by our growth system. The effect of doping on the disorder degree, photoluminescence and dielectric constant of the Bz matrix has been investigated. The disorder in the crystals increased with the increase of dopant concentration. The highest disorder was induced by the organic dopant m-DNB, whose molecules does not show an adequate geometrical similarity with Bz molecules. The position of the photoluminescence peak, both at excitation with 335 nm and 435 nm, has not been affected by the presence of dopant(s). All doped samples show Second Harmonic Generation, even those with a significant degree of disorder. The effect of the single and double-doping on the second-order ONL co-efficient was analyzed by comparison with the second-order ONL coefficient of pure Bz crystals. In the case of the double-doping, the highest second-order optical nonlinear coefficient has been evidenced in the Bz crystals simultaneously doped with m-DNB and iodine in the same concentration (1%).
96. Persistent destructive quantum interference in the inverted graph method
Authors: Ni, M; Marinescu, DC

Published: APR 8 2022, PHYSICAL REVIEW B, 105, 155303, DOI: 10.1103/PhysRevB.105.155303

We formulate a general criterion that underlies the persistence of conductance zeros induced by destructive quantum interference under the application of external perturbations in physical systems described by a discrete nonsingular Hamiltonian H. Our approach uses nonzero matrix elements of H???1 between two lattice points as edges of a graph to indicate the existence of a nonzero conductance between the same points. A given conductance zero, or a missing edge in the inverted graph, is preserved when the perturbation, in the form of on-site or additional interpoint hopping energies, is applied only to points outside the set of first-order graph neighbors of either the entry lead or the exit lead. We discuss the application of these results to a study of the robustness of the conductance zeros in the fulvene and benzene molecules.
97. Unified approach to cyclotron and plasmon resonances in a periodic two-dimensional GaAs electron gas hosting the Hofstadter butterfly
Authors: Gudmundsson, V; Mughnetsyan, V; Abdullah, NR; Tang, CS; Moldoveanu, V; Manolescu, A

Published: APR 7 2022, PHYSICAL REVIEW B, 105, 155302, DOI: 10.1103/PhysRevB.105.155302

We present theoretical calculations for the cyclotron resonance and various magnetoplasmon modes of a Coulomb interacting two-dimensional GaAs electron gas (2DEG) modulated as a lateral superlattice of quantum dots subjected to an external perpendicular constant magnetic field. We use a real-time excitation approach based on the Liouville???von Neumann equation for the density operator, that can go beyond linear response delivering information of all longitudinal and transverse collective modes of interest to the same order. We perform an extensive analysis of the coexisting collective modes due to the lateral confinement and the magnetic field for a different number of electrons in each dot. In the limit of vanishing dot modulation of the 2DEG we find signs of the structure of the Hofstadter butterfly in the excitation spectra.
98. Fabrication of a magnetic nanocarrier for doxorubicin delivery based on hyperbranched polyglycerol and carboxymethyl cellulose: An investigation on the effect of borax cross-linker on pH-sensitivity
Authors: Zohreh, N; Karimi, N; Hosseini, SH; Istrate, C; Busuioc, C

Published: APR 1 2022, INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 203, DOI: 10.1016/j.ijbiomac.2022.01.150

A new core-shell pH-responsive nanocarrier was prepared based on magnetic nanoparticle (MNP) core. Magnetic nanoparticles were first modified with hyperbranched polyglycerol as the first shell. Then the magnetic core was decorated with doxorubicin anticancer drug (DOX) and covered with PEGylated carboxymethylcellulose as the second shell. Borax was used to partially cross-link organic shells in order to evaluate drug loading content and pH-sensitivity. The structure of nanocarrier, organic shell loadings, magnetic responsibility, morphology, size, dispersibility, and drug loading content were investigated by IR, NMR, TG, VSM, XRD, DLS, HR-TEM and UV-Vis analyses. In vitro release investigations demonstrated that the use of borax as cross-linker between organic shells make the nanocarrier highly sensitive to pH so that more that 70% of DOX is released in acidic pH. A reverse pH sensitivity was observed for the nanocarrier without borax cross-linker. The MTT assay determined that the nanocarrier exhibited excellent biocompatibility toward normal cells (HEK-293) and high toxicity against cancerous cells (HeLa). The nanocarrier also showed high hemocompatibility. Cellular uptake revealed high ability of nanocarrier toward HeLa cells comparable with free DOX. The results also suggested that low concentration of nanocarrier has a great potential for use as contrast agent in magnetic resonance imaging (MRI).
99. Screening of magnetic fields by superconducting and hybrid shields with a circular cross-section
Authors: Gozzelino, L; Fracasso, M; Solovyov, M; Gomory, F; Napolitano, A; Gerbaldo, R; Ghigo, G; Laviano, F; Torsello, D; Grigoroscuta, MA; Aldica, G; Burdusel, M; Badica, P

Published: APR 1 2022, SUPERCONDUCTOR SCIENCE & TECHNOLOGY, 35, 044002, DOI: 10.1088/1361-6668/ac4ad0

The use of superconducting (SC) materials is crucial for shielding quasi-static magnetic fields. However, the need for space-saving solutions with high shielding performance requires the development of a three-dimensional (3D) modelling procedure capable of predicting the screening properties for different orientations of the applied field. In this paper, we use a 3D numerical model based on a vector potential formulation to investigate the shielding ability of SC screens with cylindrical symmetry and a height/diameter aspect ratio close to unity, without and with the superimposition of a ferromagnetic (FM) circular shell. The chosen materials were MgB2 and soft iron. First, the outcomes of the calculations were compared with the experimental data obtained with different shielding arrangements, achieving a notable agreement in both axial field (AF) and transverse field (TF) orientations. Then, we used this validated modelling approach to investigate how the magnetic mitigation properties of a cup-shaped SC bulk can be improved by the superimposition of a coaxial FM cup. Calculations highlighted that the FM addition is very efficient in enhancing the shielding factors (SFs) in the TF orientation. Assuming a working temperature of 30 K and using a layout with the FM cup protruding over the SC one, SFs up to eight times greater than those with a single SC cup were attained at applied field up to 0.15 T, reaching values equal to or higher than 10(2) in the inner half of the shield. In the AF orientation, the addition of the same FM cup incurs a modest worsening at low fields, but at the same time it widens the applied field range where SF > 10(4) occurs near the close extremity of the shield to over 1 T.
100. 'Put variety in White': Multi-analytical investigation of the white pigments inlaid on Early Chalcolithic pottery from Southern Romania
Authors: Opris, V; Velea, A; Secu, M; Rostas, AM; Buruiana, AT; Simion, CA; Mirea, DA; Matei, E; Bartha, C; Dimache, M; Lazar, C

Published: APR 2022, JOURNAL OF ARCHAEOLOGICAL SCIENCE-REPORTS, 42, 103402, DOI: 10.1016/j.jasrep.2022.103402

The current study aims to present and discuss the results obtained by complementary archaeometric methods applied for the first time on white pigments inlaid on excised pottery of the Boian-Vidra tradition (Early Chalcolithic, c. 4900-4600 BCE). The samples came from three settlements located in Southern Romania (Sultana-Ghetarie, Vidra, and Vladiceasca). They were selected considering that the pottery was produced in approximately contemporary sites, located relatively close to each other in the same geographical region, namely the Romanian Plain. The experimental part included the analysis of local samples of carbonate concretions and prehistoric animal bone ash as reference materials. Archaeometric investigations consisted in applying "in-air" PIXE and EDX methods for the chemical composition, XRD and FTIR for mineralogical data, SEM for microstructure observation, and EPR for the characterisation of the paramagnetic centres. Calcite, bone ash, and silica rich sediments were identified as the primary decorating pigments. The mixtures of calcite and bone-ash observed in 13 samples were specific to the sites at Vidra and Vladiceasca. Silica-rich sediments from distant sources were the main whitening materials in two samples from Vladiceasca, while for the samples from Sultana-Ghetarie, calcite was the only whitening mineral. The results show with a high degree of confidence the use of both local (i.e., carbonate neo-formations and bone ash) and exotic (silica-rich sediments) raw materials to obtain the white pigment applied to Boian-Vidra pottery. Thus, the current data show the adaptability of the potters with respect to the surrounding resources and also provide new evidence for a vast trade network of raw materials and/or finished products in the Lower Danube area during the Early Chalcolithic. The deliberate mixing of two whitening materials from different sources could be a technological choice and may highlight complex symbolic behaviours.

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