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WOS:000460704700016 Glass systems of composition 16XO-3Al(2)O(3)-6CuO-20Na(2)O-55P(2)O(5) (where X = Sr, Ca, Mg and Ba mol%) have been investigated to check its potential utilize as gamma ray shielding material. Different shielding quantifies namely mass attenuation coefficient (mu/rho), effective atomic number (Z(eff)), half value layer (HVL) and mean free path (MFP) have been evaluated using MCNPX code and XCOM program at different photon energies between 0.015 and 10 MeV. The obtained data revealed good agreement between the mu/rho values derived from XCOM and MCNPX code (version 2.6.0). It is found that the mass attenuation coefficients of BaO-doped phosphate glass are higher than those of the other alkaline earth elements-doped glasses, whereas MgO possess the lowest values. This indicates that the BaO-doped phosphate glass is the superior gamma radiation attenuator among the studied glass samples. The gamma shielding performance of the glasses under study has been compared to some commercial glasses and different concrete samples in terms of MFP. Karamanoglu Mehmetbey UniversityKaramanoglu Mehmetbey University [13-M-17]; Universiti Putra Malaysia (UPM) under Inisiatif Putra Muda (IPM); Hashemite University This study was supported by Karamanoglu Mehmetbey University (Project Numbers: 13-M-17) and the financial support from Universiti Putra Malaysia (UPM) under Inisiatif Putra Muda (IPM) are gratefully acknowledged. The Hashemite University is also acknowledged for the generous support.

We have investigated numerically the ability to inhibit spike protein from SARS-CoV-2 to attach and inter the host cell when exposed to energetic photons. The Geometric Progression fitting method have been adopted to calculate the equivalent atomic number for photon energy absorption (Zeq), exposure and absorption buildup factors in the energy range E∈ [15–300] keV for the S2-subunit in the spike protein. The buildup factors have shown a peak value at adsorption resonance energy between 36–60 eV per amino acid of the S2-subunit which depends on the mean free path of the photon within the protein structure and the type of mutation. The resonance energies (between UV and X-ray range) have been found to depend on the protein molecular composition. This opens the possibility of using energetic photons to break up the S2-subunit into small fragments. Our results may contribute to the continues racing for finding noninvasive technique for medical trials using radiotherapy treatment for the COVID-19 virus.

The concentrations of elements in pharmaceuticals derived from plant seeds were determined by energy dispersive X-ray fluorescence. The concentrations of Ca, Si, Cl, K, S, Ti, Cr, Mn, Fe, P, Cu, Zn, Br, Rb, Sr, Hg, and Zr were quantified; only Si (10 ± 1 to 70,000 ± 110 mg kg−1), S (10 ± 2 to 12,4000 ± 243 mg kg−1), K (4,000 ± 58 to 24,000 ± 70 mg kg−1), Ca (2200 ± 35 to 87,000 ± 150 mg kg−1), Mn (21 ± 4 to 1956 ± 17 mg kg−1), and Fe (100 ± 7 to 5150 ± 70 mg kg−1) were present in all samples. These results may validate the use of these pharmaceuticals for the treatment of disease due to high concentrations of essential elements Mn, Ca, Mn, K, Mg, Zn, Cl, Fe, and P. Mercury was present in some products below standard values. The results also have quality control applications because of the widespread use of these pharmaceuticals.

We present first-principles calculations of the structural, elastic, electronic, magnetic and optical properties for RbFeF 3 and RbNiF 3 . The full-potential linear augmented plan wave (FP-LAPW) method within the density functional theory was utilized to perform the present calculations. We employed the generalized gradient approximation as exchange-correlation potential. It was found that the calculated analytical lattice parameters agree with previous studies. The analysis of elastic constants showed that the present compounds are elastically stable and anisotropic. Moreover, both compounds are classified as a ductile compound. The calculations of the band structure and density functional theory revealed that the RbFeF 3 compound has a half-metallic behavior while the RbNiF 3 compound has a semiconductor behavior with indirect ( M – Γ ) band gap. The ferromagnetic behavior was studied for both compounds. The optical properties were calculated for the radiation of up to 40 eV. A beneficial optics technology is predicted as revealed from the optical spectra.

The interaction between pyropheophorbide methyl ester (PPME) and the ionic metal of copper ( Cu 2+) was investigated using fluorescence and UV-vis techniques. By analysis of the fluorescence spectra, it was observed that Cu 2+ has a strong ability to quench the intrinsic fluorescence of PPME through dynamic and static quenching process. The binding constants of Cu 2+ with PPME were determined at different temperatures depending on the results of fluorescence quenching. Based on the modified form of the Stern–Volmer equation, static binding constant (kS) and the dynamic binding constant (kD) of Cu 2+-PPME association were obtained at different temperatures. The static thermodynamic function of the enthalpy change (ΔHS), the dynamic thermodynamic function of the enthalpy change (ΔHD), the static thermodynamic function of the entropy change (ΔSS), and the dynamic thermodynamic function of the entropy change (ΔSD) for the binding interaction were determined according to the van't Hoff equation. The values of static Gibbs free energy change (ΔGS) and dynamic Gibbs free energy change (ΔGD) were determined to be negative indicating that the interaction process was a spontaneous. ΔHD and ΔSD values were positive indicating that the dynamic quenching process of Cu 2+-PPME interaction was driven mainly by hydrophobic forces. For the static binding quenching, ΔHS and ΔSS values were negative which indicated that hydrogen bond, electrostatic interaction, and van der Waals interaction were important driving forces for PPME- Cu 2+ association. Both static and dynamic fluorescence quenching were related to the distance between PPME and Cu 2+ indicating that the electron transfer process occurred.

The shift of the Q-band of sodium zinc(II)-2,9,16,23-phthalocyanine tetracarboxylate (ZnPc(COONa)4) to about 800 nm is attributed to the influence of the electron-donating property of the carboxylate groups substituted in the β–position. ZnPc(COONa)4 which was found to have a symmetry of D 2h characterized by a splitting of the Q transition. This splitting was interpreted by the formation of dianionic symmetric ZnPc(COONa)4 resulting from the dissociation of the pyrrole protons as well as the possibility of Na+ dissolution of ZnPc(COONa)4 in the aqueous solution of NaOH.

The aim of this study was to shown that the photosensitizer in photodynamic therapy (PDT) can contribute to the dark toxicity and phototoxicity of the tumor by binding with copper. This binding process can remove the copper from the body, stopping angiogenesis as well as activating the mechanisms of cell death, such as apoptosis and necrosis. In PDT, this coupling may be considered a new route for fighting cancer in addition to those already known which involve reactive oxygen species.

ZnTe thin films were deposited by closed space sublimation (CSS) technique on amorphous glass substrate. The deposited films were immersed in AgNO 3 solution for different time periods, then heated in vacuum. The resistivity of the film, immersed for 30 min, was reduced by less than six orders of magnitudes. The films structures were characterized by X-ray diffraction (XRD). Atomic force microscope (AFM) was used to detect the surface morphology of the films. The films thickness, the optical properties, such as refractive index, absorption coefficient and the optical band gap were determined from transmittance spectra in the wavelength range of 400–2500 nm. The dark electrical conductivities of the films were studied as function of temperature to determine the conductivity activation energy.

Five ruthenium complexes of the general type trans-[RuII(btd)(Azo)Cl2] ({Azo = PhN=NC(COMe) = NC6HY, where Y = H (a), Me (b), OMe (c), Cl (d) or Br (e)} and btd = 4,4′-bi-1,2,3-thiadiazole) have been prepared by the reaction of RuCl3 with the ligands in the presence of LiCl. These complexes have been characterized by spectroscopic (IR, UV–Vis, and NMR) and electrochemical techniques. In addition, the complex trans-[RuII(btd)(L5)Cl2] (complex 5) has been characterized by X-ray diffraction analysis. The electrochemical parameter for the π-excessive ligand (btd) is reported. The absorption spectrum of complex 5 in acetonitrile has been modeled by time-dependent density functional theory. .

The search for new efficient sensitizers for photodynamic therapy (PDT) points to improve photophysical properties like absorption in the red region and singlet oxygen quantum yield as well as to control the localization of the sensitizer within the tumour cell. Depending on their physicochemical properties and their uptake mechanism, sensitizers can reach different intracellular concentrations and localize in different subcellular compartments. Moreover, the preferential localization of a sensitizer in target organelles, like mitochondria or lysosomes, could determine the cell death mechanism after PDT. This study aimed to investigate the influence of substitutions on dihydroxychlorins with regard to intracellular uptake, subcellular localization and cell death pathway. Moreover, the effect of a liposome-based delivery system was tested. The intracellular uptake was found to be strictly dependent on the sensitizer molecular structure and the means of its delivery. The most polar sensitizer in this study (compound 3) had, depending on incubation time, an intracellular concentration 2-8 times higher than the unsubstituted chlorin 1. All investigated photosensitizers localize predominantly in lysosomes but after longer incubation times weak fluorescence intensity was also detected in mitochondria and Golgi apparatus. The cell death pathway was found to be influenced by the sensitizer intracellular concentration and the applied light doses. In general, the increasing amphiphilicity of the sensitizer molecules is correlated with an increased sensitizer uptake and an increased rate of necrotic cells after irradiation. (C) 2004 Elsevier B.V. All rights reserved

We have performed ab initio investigation of some physical properties of the perovskite TlMnX3 (X = F, Cl) compounds using the full-potential linearized augmented plane wave (FP-LAPW) method. The generalized gradient approximation (GGA) is employed as exchange-correlation potential. The calculated lattice constant and bulk modulus agree with previous studies. Both compounds are found to be elastically stable. TlMnF3 and TlMnCl3 are classified as anisotropic and ductile compounds. The calculations of the band structure of the studied compounds showed the semiconductor behavior with the indirect (M–X) energy gap. Both compounds are classified as a ferromagnetic due to the integer value of the total magnetic moment of the compounds. The different optical spectra are calculated from the real and the imaginary parts of the dielectric function and connected to the electronic structure of the compounds. The static refractive index [Formula: see text] is inversely proportional to the energy bandgap of the two compounds. Beneficial optics technology applications are predicted based on the optical spectra.

Comparative spectroscopic study including the photosensitizers of pyropheophorbide methyl ester (PPME) and pyropheophorbide a (PPa) was performed to study their photodynamic activity. The investigated photosensitizers in a homogeneous system of dimethylformamide (DMF) are not photostable upon irradiation. The photobleaching efficiency of PPa is higher than that of PPME. Combining these results with the data obtained by measuring the singlet oxygen quantum yield and the hydroxyl group generation, it was revealed that the photobleaching efficiency could be correlated with the singlet oxygen quantum yield and the hydroxyl group production of the photosensitizer.