Molar Polarizability Research Articles

Synthesis, modeling, bioactivity, docking, binding energy analysis of new effective piperazine derivatives as effective drug candidates for treatment of Parkinson’s disease

In this study, density functional theory (DFT) calculations were initially conducted to explore the molecular structure, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), LUMO-HOMO energies, as well as the excited states of new piperazine derivatives using the CAM-B3LYP/Def2TZV level of theory. Detailed quantum molecular descriptors for the compounds, including ionization potential (IP), electron affinities (EA), hardness (η), softness (S), electronegativity (μ), electrophilic index (ω), electron-donating power (ω−), electron accepting power (ω+), and energy gap (Eg), were calculated. The chemical properties and bioactivity of these compounds, such as molecular weight, lipophilicity, number of hydrogen bond (HB) donors and acceptors, molar refractivity, polarity, solubility, flexibility and saturation, were also investigated. Subsequently, a molecular docking study was performed to identify effective compounds that could act as strong inhibitors against Parkinson’s Disease. The Michaelis-Menten constant (Km) was determined using the CAM-B3LYP/Def2TZV level of theory. The binding energy between the protein with ID:5CGJ and the organic compounds demonstrated excellent binding affinity. Therefore, the structures: 4-(4-methylpiperazin-1-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide (21), N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(morpholinomethyl) benzamide (22), cаn bе usеd for potential application аgаinst Parkinson’s Disease.

Gamma-ray irradiation-induced effects on Er3+-doped Li2O-Bi2O3-B2O3-TeO2 glass: Structural, optical, luminescence, and radiation shielding properties

In the present study, we report the gamma (γ) ray irradiation-induced structural, optical, luminescence and radiation shielding properties of Er3+-doped Li2O-Bi2O3-B2O3-TeO2 glasses prepared by melt-quenching technique. It was evidence of the slight reductions in density and refractive index while maintaining stable optical properties upon the γ irradiation. Additionally, increased molar volume and polarizability indicated a less compact network. Raman spectroscopy shows broadened peaks and intensity reductions at key vibrational modes. The UV–Vis–NIR absorption spectra reveal the shift in the absorption edge and reduction in the intensities of Er³⁺ absorption bands (around 450, 520, 550, and 650 nm) with higher radiation doses, indicating radiation-induced damage. It was found that the band gap values decreased from 2.58 eV to 1.30 eV for un-irradiated glass to 90 kGy irradiated glass, and Urbach energy was found to increase from 0.18 to 1 eV respectively, indicating structural disorder and localized states within the band gap. PL emission spectra demonstrated intensity changes and peak shifts with γ radiation dose while maintaining a dominant green emission from 4S3/2 → 4I15/2 and 2H11/2 → 4I15/2 transitions, supported by the CIE diagram analysis. The NIR emission spectra also displayed a peak at 1530 nm with decreasing intensity, indicating defect-induced non-radiative recombination centres. Luminescence lifetime decay profiles indicated reduced lifetimes at higher γ doses, suggesting introduced non-radiative decay pathways. Furthermore, Phy-X software analysis highlighted effective γ-ray shielding influenced by chemical composition and photon flux, with MAC sharply decreasing to 1.8 cm2/g at 0.1 MeV and stabilizing, while LAC showed reduced attenuation efficiency at higher energies. HVL and TVL increased with energy, stabilizing around 4–5 cm and 15–16 cm, respectively, necessitating thicker materials for effective shielding at higher photon energies. MFP rapidly increased to 6–7 cm at 2 MeV, stabilizing at higher energies, while Zeff decreased sharply before stabilizing around 1 MeV. The EBF and EABF trends exhibited higher values at low energies, stabilizing at higher energies, indicating effective photon interaction and resonance effects.

Optical parameters and gamma shielding quality of sodium-borate glasses: The relative contribution of Bi2O3, SrO, and Li2O

The optical quality and compositional flexibility of borate glasses make them attractive materials for optical applications, nuclear waste containment, transparent radiation shields and many other applications in the nuclear and allied industries. This study presents the physical, optical, and gamma transmission data of the sodium borate glass structure: 75B2O3 – 15Na2O – 9.5x – 0.5Nd2O3; for x = Bi2O3 (BiNd), SrO (SrNd), and Li2O (LiNd). The glasses were prepared using the traditional melt-and-quench technique. The influence of Bi2O3, SrO, and Li2O on the physical attributes, optical constants, and gamma radiation interaction coefficients was probed using standard laboratory procedures and software. The density of BiNd, SrNd, and LiNd was 3.32, 2.43, and 2.24 g/cm3, respectively. The molar volume of the glasses followed the trend: BiNd > SrNd > LiNd. The optical constants of the glasses, such as refractive index, metallization criterion, molar refractivity, molar polarizability, reflectance loss, and optical transmission, showed a wide fluctuation with respect to glass composition. The values of the gamma mass attenuation coefficients for 15 keV–15 MeV photons were in the range 0.0316–45.0225 cm2/g for BiNd, 0.0206–5.4940 cm2/g for SrNd, and 0.0184–3.4603 cm2/g for LiNd. Generally, density has a positive correlation with the gamma absorption prowess of the investigated xNd glasses. A correlation between the optical and shielding parameters was highlighted in this study. The xNd glasses, especially SrNd and BiNd, are preferred as transparent radiation protection barriers, in contrast to some conventional Pb-based glasses, from environmental and public health perspectives. This glass composition is therefore unique and its properties are essentially useful in optical and radiation technologies.

Exploring the impact of CuCl2 modification on structural variations and dielectric constant in bismuth borate tellurite glasses

Copper chloride doped boro-tellurite-based glass series with compositions 60TeO2-(25-x) Bi2O3–15B2O3-xCuCl2 (x = 0, 5, 10, 15, and 20) were synthesized using the traditional melt-quench procedure. The X-ray diffraction patterns of the examined glasses reveal their amorphous nature. The effect of CuCl2 addition on the glass network/structural units was studied using vibrational (FTIR/Raman) spectroscopy, and CuCl2 inclusion in the glass matrix resulted in a transformation from compact TeO4 to TeO3 structural units This shows that copper chloride acts as a modifier in the examined glass series, resulting in the creation of non-bridging oxygen (NBOs), meaning that the loosening of the glass network is further supported by a decrease in the glass transition temperature as CuCl2 content increases. UV–Vis DRS spectra of examined glasses reveal an absorption band corresponding to the typical transition of Cu2+ ions from 2B1g → 2B2g, situated in deformed octahedral sites in absorption spectra. As Cu+ concentration rises, the indirect optical band gap values drop from 2.94 eV to 1.75 eV. The metallization criterion values lie between 0.383 and 0.300 suggesting that these glasses are potential candidates for nonlinear optical applications. With an increase in Cu+ concentration, the values of molar refractive index (Rm) and molar electronic polarizability αm increases from 22.412 to 26.205 and 8.894 to 10.398 respectively, which correlate with increasing dielectric constant (ε′) values as the Cu+ amount increases. Further dielectric studies reveal non-Debye-type relaxation behaviour.

Robust parahydrogen-induced polarization at high concentrations.

Parahydrogen-induced polarization (PHIP) is a potent technique for generating target molecules with high nuclear spin polarization. The PHIP process involves a chemical reaction between parahydrogen and a target molecule, followed by the transformation of nuclear singlet spin order into magnetization of a designated target nucleus through magnetic field manipulations. Although the singlet-to-magnetization polarization transfer process works effectively at moderate concentrations, it is observed to become much less efficient at high molar polarization, defined as the product of polarization and concentration. This strong dependence on the molar polarization is attributed to interference due to the field produced by the sample magnetization during polarization transfer, which leads to complex dynamics and can severely affect the scalability of the technique. We address this challenge with a pulse sequence that suppresses the influence of the distant dipolar field, while simultaneously achieving singlet-to-magnetization polarization transfer to the desired target spins, free from restrictions on the molar polarization.

The role of WO3 on the optical and radiation attenuation characteristics of ZnO–Na2O–B2O3 glasses

This works aims to investigate the role of the WO3 on the optical and radiation attenuation characteristics of ZnO–Na2O–B2O3 glasses which were called as ZNBW glasses using theoretical approach. The molar refractivity (Rmol), molar polarizability (αMol.), reflection loss (RLoss), static dielectric constant (εstatic), and optical dielectric constant (εoptical) of the ZNBW glasses enhance while optical transmission (TOpt.) and metallization criterion (M) of the ZNBW glasses reduce with enhancement of WO3 and decreasing of ZnO. The Rmol, αMol.,RLoss, εstatic and εoptical are the highest for ZNBW20 whereas they are the lowest for ZNBW0. The TOpt. and M are the highest for ZNBW0 while they are the smallest for ZNBW20. In terms of radiation attenuation characteristics, the linear attenuation coefficient, mass attenuation coefficient, effective atomic number, and effective electron density increase whereas half value layer, tenth value layer, mean free path and fast neutron removal cross section (FNRC) decline with the enhancement of WO3 and reducing of ZnO. The ZNBW20 which has the highest WO3 content possesses the greatest radiation attenuation properties and smallest FNRC whereas the ZNBW0 which has not WO3 content possesses the smallest radiation attenuation properties and the highest FNRC. Consequently, radiation attenuation characteristics of ZNBW glasses enhance whereas FNRC of ZNBW glasses decline with addition of WO3 and reducing of ZnO. The replacement of WO3 by ZnO has a positive effect on improving the radiation attenuation properties of the ZNBW glasses.

Thermodynamic properties, electrochemical properties, and interaction behaviors of quaternary ammonium salts-based deep eutectic solvents

To gain a deeper understanding of the formation mechanism for quaternary ammonium salts-based deep eutectic solvents (DESs), it is of great significance to investigate the interaction between hydrogen bond donor (HBD) and hydrogen bond acceptor (HBA), as well as their physicochemical properties. In this study, tetrapropylammonium bromide (TPAB) or tetrabutylammonium bromide (TBAB) as HBA and malonic acid (MA) as HBD with a molar ratio of 1:1 or 1:1.5 were to synthesize four DESs of [TPAB]:[MA]-1, [TPAB]:[MA]-1.5, [TBAB]:[MA]-1 and [TBAB]:[MA]-1.5. The thermodynamic properties, electrochemical properties, and interaction behaviors of these DESs were investigated. The thermodynamic parameters of the standard entropy, lattice energy, molar refraction, molar polarization, and molar electrical conductivity for all DESs were calculated in terms of the Glasser’s classical theory, the molar surface Gibbs energy definition, the molar electrical conductivity definition, and Lorentz-Lorenz equation. Through linear scanning curve tests based on the three-electrode method, electrochemical potential windows (EPW) of all DESs were significantly higher than 2 V. Furthermore, according to DFT calculation and COSMO-RS theoretical model, the sequence of interaction strength for quaternary ammonium salts-based DESs was arranged as follows: [TBAB]:[MA]-1 > [TPAB]:[MA]-1 > [TBAB]:[MA]-1.5 > [TPAB]:[MA]-1.5. These fundamental theoretical studies help to provide significant theoretical reference value for the design of DESs with special properties, and promote the application range of DESs.

Gamma attenuation and nuclear shieling ability of TeO2/Bi2O3/WO3 glass system

In the present research paper, we present the gamma shielding characterization and the optical properties of a tellurite glass system chemically defined as 64TeO2–15Na2O–5BaO-xBi2O3-(15-x)WO3–1Yb2O3. The study also focused on the evolution of gamma attenuation and optical parameters as the chemical definition of the glass system changed. The optical constants estimated and analyzed include the molar refractivity (Rm), molar polarizability (αmol), reflectance loss, optical transmission, metallization criterion, static dielectric constant, and optical dielectric constant. The values of the mass attenuation coefficient (μρ) other basic shielding quantities were also calculated and analyzed in order to reveal the relative shielding effectiveness of the glasses and their potential for radiation safety applications. For TNY-W/Bi1, TNY-W/Bi2, and TNY-W/Bi3, having Bi2O3 molar concentrations of 0, 5, and 10 mol%, respectively, the density was 5.42 g/cm3, 5.56 g/cm3, and 5.67 g/cm3, while the molar volume had values of 29.119 cm3/mol, 30.491 cm3/mol, and 31.964 cm3/mol, respectively. The Rm and αmol increased from 17.72 to 19.68 cm3/mole and 7.03 × 10−24 cm3 to 7.81 × 10−24 cm3, respectively. All other estimated optical parameters vary according to glass composition and the refractive index. The values of μρ fluctuated between 0.0344 and 56.4869 cm2/g for TNY-W/Bi1, 0.0351 and 59.3506 cm2/g for TNY-W/Bi2, and 0.0368 and 61.8444 cm2/g for TNY-W/Bi3. For a glass thickness of 10 mm and at 15 keV, the absorbed dose rates in TNY-W/Bi1, TNY-W/Bi2, and TNY-W/Bi3 were 50 μR/h, 52 μR/h, and 53 μR/h, respectively. The increase in Bi2O3 content improved the photon and energy absorption capacities of the TNY-W/BiX glasses. The replacement of WO3 with Bi2O3 in the glass system increased photon buildup factors in the glasses as well. The present glasses showed better photon absorption capacities than light and heavy concrete, standard shielding glasses, alloys, and rock samples.

Influence of WO3 replacement for CaO on physical, optical, and γ-ray protection properties of borotellurite glasses: A comparative study

Glasses with WO3 in place of CaO with the chemical formula 45B2O3+15TeO2+(18-X)CaO+22Na2O + XWO3: X = 0 (W-0), 1.5 (W-1.5), 3 (W-3), 4.5 (W-4.5), and 6 (W-6) mol% were prepared using the melt quenching method. A comprehensive study of the structural, physical, optical, and γ-ray protection properties of the prepared glasses was investigated. Density (ρ), molar volume (Vm), UV–Vis measurements, the MCNP5 simulation code, and PhX software were employed to achieve the aims of this study. The density (ρ) of the W-X samples increased slightly from 2.45 g/cm3 to 2.62 g/cm3 as WO3 content increased from 0 to 6 mol%. The molar volume (Vm) evinced the same trend as ρ. In the UV range, significant absorption was observed, rising as the molar concentration of WO3 increased. The direct optical gap (Eopt.(dir.)) declined from 3.59 eV to 3.24 eV, while the indirect gap (Eopt.(indir.)) declined from 3.27 eV to 2.36 eV. The Urbach energies (ΔE) ranged from 0.35 to 0.71 eV. The refractive index (n) increased from 2.33 to 2.59 as WO3 content increased. The molar polarizability (αm) and molar refractivity (Rm) increased. The linear-attenuation absorption (μ) order is: W-0 < W-1.5 < W-3 < W-4.5 < W-6. The W-6 glass sample possessed the lowest half- (HVL), and tenth- (TVL) value layer, as well as the lowest mean free path (MFP). Therefore, the W-6 glass sample offers the best gamma radiation shielding capability among the prepared W-X glasses. Within the investigated energy range, the effective atomic number (Zef) varied from 30.773 to 13.234, 35.398–13.969, 39.089–14.670, 42.103–15.338, and 44.611–15.977 for the W-0, W-1.5, W-3, W-4.5, and W-6 glasses, respectively. At 0.080 MeV, the mass-attenuation absorption (μm) of the investigated W-X glasses was higher than for TBLMC-X (TeO2–B2O3–Li2O–MoO3–CuO) and TS-X (9SiO2–Al2O3–Na2O–B2O3–TeO2) glasses.

Realization of the pascal based on argon using a Fabry-Perot refractometer.

Based on a recent experimental determination of the static polarizability and a first-principle calculation of the frequency-dependent dipole polarizability of argon, this work presents, by using a Fabry-Perot refractometer operated at 1550 nm, a realization of the SI unit of pressure, the pascal, for pressures up to 100 kPa, with an uncertainty of [(1.0 mPa)2 + (5.8 × 10-6P)2 + (26 × 10-12P2)2]1/2. The work also presents a value of the molar polarizability of N2 at 1550 nm and 302.9146 K of 4.396572(26) × 10-6 m3/mol, which agrees well with previously determined ones.

Comparison of in vitro membrane permeabilities of diverse environmental chemicals with in silico predictions

The parallel artificial membrane permeability assay (PAMPA) is widely used for estimating biomembrane permeabilities of experimental drugs in pharmaceutical research. However, there are few reports of studies using PAMPA to measure membrane permeabilities of chemicals of environmental concern (CECs) outside the pharmaceutical domain, many of which differ substantially from drugs in their physicochemical properties. We applied PAMPA methods simulating gastrointestinal (PAMPA-GIT) and blood-brain barrier (PAMPA-BBB) membranes under consistent conditions to 51 CECs, including some pharmaceuticals. A backward stepwise multivariate linear regression was implemented to explore the correlation between the differences of measured permeabilities from PAMPA-GIT and PAMPA-BBB and Abraham solute descriptors. In addition, a previously reported in silico model was evaluated by comparing predicted and measured permeability results. PAMPA-GIT and PAMPA-BBB experimental permeability results agreed relatively well. The backward stepwise multivariate linear regression identified excess molar refraction and polarizability to be significant at the 0.10 level in predicting the differences between PAMPA-GIT and PAMPA-BBB. The in silico model performed well – with predicted permeability of most compounds within two-fold of experimentally measured values. We found that CECs pose experimental challenges to the PAMPA method in terms of having lower solubility and lower stability compared to most drugs.

Influence of Pr3+ ions on structural, photoluminescence, dielectric, and mechanical properties of barium lithium fluoroborate glasses

The influence of Praseodymium Oxide (Pr6O11) on the physical, optical parameters, photoluminescence, dielectric, and mechanical properties for 20BaF2 + 10Li2O+(70-x) B2O3 + xPr6O11 (where x = 0.0, 0.5, 1.0, 1.5 and 2.0 mol %)] glasses was investigated. FTIR spectra of the borate glass network doped with Pr6O11 demonstrate the vibrational modes. The current study found that adding Pr3+ ions to the glass increased the glass density, packing density (VP), oxygen packing density (OPD), and rare earth ion concentration (N). The optical parameters include refractive index molar refraction and molar polarizability, optical transmission, and reflection loss. All the optical parameters increased except optical transmission decreased with the rising of Pr3+ ions in the glass. The photoluminescence emission intensity increased with the concentration of Pr3+ ions. The dielectric constant decreased while AC conductivity increased with the applied frequency, particularly in the high-frequency region. The elastic moduli, including longitudinal, shear, bulk, Young, and microhardness increased with increasing the content of Pr3+ ions in the glass.

The effect of Dy3+ on the optical and radiation attenuation properties of TeO2–ZnO–Na2O–Sm2O3 glasses

This paper aims to investigate theoretically addition of the Dy3+ content on the optical and radiation attenuation properties of TeO2–ZnO – Na2O–Sm2O3 glasses. The STZNDy1 possesses the greatest molar refractivity (Rm) and molar polarizability (αm) whereas the STZNDy5 possesses the lowest Rm and αm. When Dy2O3 content adds into the glass, the reflection loss sharply increases then it declines up to 1.5 mol.% of Dy2O3 content afterwards it is stable however the optical transmission sharply decreases then it increases up to 1.5 mol % of Dy2O3 content afterwards it is stable. The STZNDy5 and STZNDy6 own the greatest metallization criterion while they own the lowest static dielectric constant and optical dielectric constant. Both linear attenuation coefficient and mass attenuation coefficient of the STZNDy glasses increase with the addition of the Dy2O3 content. The STZNDy1 has the highest half value layers (HVLs) and tenth value layers (TVLs) whereas the STZNDy6 has the smallest HVLs and TVLs. The radiation protection efficiency enhances whereas mean free path declines as Dy2O3 content increases in the glasses. Consequently, the STZNDy6 owns the good radiation attenuation ability in the STZNDy glasses, and adding Dy2O3 increases the radiation attenuation characteristics of the STZNDy glasses.

Optical and radiation attenuation properties of rare-earth ion doped Li2O–ZnO–B2O3 glasses

The role of the addition of rare-earth ions which are Pr2O3, N2O3, Sm2O3, and Eu2O3 to Li2O–ZnO–B2O3 glasses on the optical and radiation attenuation characteristics was theoretically investigated. According to the addition of the rare-earth ions, the glasses were named as LZB, LZBPr, LZBNd, LZBSm and LZBEu. The LZB glass has the greatest molar refractivity and the molar polarizability whereas LZBPr glass has the lowest molar refractivity and the molar polarizability. The reflection loss is the highest for the LZB and the optical transmission is the highest for LZBEu. Especially, at higher gamma-ray energy (5–15 MeV), the linear attenuation coefficients are the greatest for LZBPr and they are the lowest for LZB. The LZBPr has the lowest half value layer, tenth value layer and mean free path at 10 MeV gamma-ray energy. At higher gamma-ray energies, LZBPr has the better radiation protection efficiency. Consequently, the LZBPr glass has the superior radiation attenuation ability and the addition of rare-earth ions to LZB glass enhances radiation shielding ability of the studied glasses.

Elucidating the impact of Dy2O3 substitution on structure, optical, photoluminescence and mechanical properties of borosilicate glass

This work aims to investigate the changes in characteristics seen in the composition 60B2O3+ (30–x) BaO + 10SiO2 + xDy2O3 where x is 0.0, 1.0, 2.0, and 3.0 mole% glass samples. Melt-quenching technique was used to prepare the glass samples. A variety of analytical techniques were employed to characterize the prepared glasses, such as x-ray, Raman, photoluminescence, and UV-vis-NIR spectroscopy. XRD spectra verified the glassy nature. The glasses’ compactness was studied using structural properties such as density, molar volume, and oxygen packing density. Makishima-Mackenzie’s (M-M) method was used to determine mechanical parameters such as elastic moduli, Poisson’s ratio, and hardness, and it was found that these properties decreased with increasing Dy2O3 concentration. Glass absorption spectra showed eleven distinct peaks in the range 300–2000 nm, resulting from Dy3+ electronic transitions. Urbach energy, refractive index, and optical band gap energy were determined. The optical parameters, such as molar refraction, molar polarizability, reflection loss, optical transmission, metallization, and optical electronegativity, were estimated. The photoluminescence spectra revealed five distinct peaks in the 400–800 nm wavelength range under excitation at 325 nm.

Identifying routes for transferring spin polarization from parahydrogen to protic solvents.

Repeatable hyperpolarization of high concentrations of mobile protons (>6 M) using parahydrogen in protic methanol/water mixtures is reported here. Different ammonium buffers with increasing mobile proton concentrations were added to an IrCl(COD)(IMes) catalyst in the presence of pyridine. We reach a maximum molar polarization of 1.79 mM at 6 mT. Field-cycling experiments in an 18.8 T detection field distinguished two solvent polarization transfer pathways: chemical exchange with labile protons from ammonia and cross-relaxation with pyridine aromatic protons.

Demonstration of a Transportable Fabry-Pérot Refractometer by a Ring-Type Comparison of Dead-Weight Pressure Balances at Four European National Metrology Institutes.

Fabry-Pérot-based refractometry has demonstrated the ability to assess gas pressure with high accuracy and has been prophesized to be able to realize the SI unit for pressure, the pascal, based on quantum calculations of the molar polarizabilities of gases. So far, the technology has mostly been limited to well-controlled laboratories. However, recently, an easy-to-use transportable refractometer has been constructed. Although its performance has previously been assessed under well-controlled laboratory conditions, to assess its ability to serve as an actually transportable system, a ring-type comparison addressing various well-characterized pressure balances in the 10-90 kPa range at several European national metrology institutes is presented in this work. It was found that the transportable refractometer is capable of being transported and swiftly set up to be operational with retained performance in a variety of environments. The system could also verify that the pressure balances used within the ring-type comparison agree with each other. These results constitute an important step toward broadening the application areas of FP-based refractometry technology and bringing it within reach of various types of stakeholders, not least within industry.

MORPHOLOGICAL, MECHANICAL, ORGANIC VAPOUR PERMEATION PROPERTIES AND BIODEGRADABILITY OF POLY(ETHYLENE-CO-VINYL ACETATE)/WASTE PISTACHIO SHELL-DERIVED CELLULOSE COMPOSITE MEMBRANES

Cellulose fibers have attracted interest as a suitable candidate for manufacturing composites. In the present work, cellulose derived from waste pistachio shell was used to prepare composite membranes with poly(ethylene-co-vinyl acetate (EVA) via solution casting, and their morphological, mechanical, organic vapour permeation characteristics and biodegradability were evaluated. Scanning electron micrographs showed that the voids in the EVA polymer were filled effectively by cellulose fibers. The mechanical testing of the composites revealed an improvement in Young’s modulus with the increase in cellulose loading. The permeation of polar and non-polar solvents through the membranes was studied and explained by molar size, molecular mass and polarity of the solvents. Nielson’s permeability equation as modified by Baradwaj was used to analyse the relative permeability of the membranes. Soil burial degradation experiments of the composite membranes showed a decrease in weight and tensile strength, revealing the biodegradability of the membranes.

Enhancement of electrical and radiation shielding properties of vanadium doped lithium telluro-borate (LTB) glasses

Vanadium doped lithium telluro-borate (LTB) glasses of the composition (20-x)Li2O-20TeO2-60B2O3-(x)V2O5 (x = 0, 0.5, 1, 1.5 and 2 in mol %) were synthesised by melt quenching technique. The structural, optical, physical, electrical and radiation shielding parameters of the prepared glasses were investigated to determine the effect of vanadium in the LTB glass matrix. Density of LTB glasses were found to increases from 2.52 to 2.98 g/cm3 under addition of vanadium oxide and certain density derived structural parameters were studied. XRD pattern confirms the amorphous nature of the pristine and doped LTB glass. FTIR spectra shows the presence of various bonds in the vanadium doped LTB glasses. The direct optical bandgap (Eg) decreases due to the addition of V2O5 and leads to creation of defects in the LTB glasses thereby increasing the Urbach energy (Eu). Physical parameters like refractive index (n), molar refractivity (Rm), reflection loss (Lr), molar electronic polarizability (αm), transmission coefficient (T) and metallization criteria (M) were calculated. The electrical properties including dielectric constant (εʹ), conductivity (σ) and activation energies (Ea) were analysed and observed that Ea decreases under the addition of vanadium to the glass network proving the enhancement in electrical conductivity. Radiation shielding parameters such as MAC, LAC, HVL, TVL, MFP, R, ACS, ECS, Neff, Zeff, and Ceff were calculated using Phy-X/PSD and LTB_2V with the highest V2O5 additive shows enhanced result in gamma radiation shielding.

Physical properties of deep eutectic solvents with efficient nitrogen removal capability

The efficient separation of N-compounds from fuel oil is of great significance for environmental protection and the development of sustainable chemical processes. In this work, eight quaternary acidic deep eutectic solvents (DESs) were prepared for the removal of basic N-compounds (pyridine) from simulated oils. Initially, the density, viscosity, conductivity, surface tension and refractive index values of the DESs were determined at 293.15–333.15 K. Based on these data, physical quantities such as molecular volume, standard entropy, lattice energy, activation energy of viscous flow, activation energy of conductivity, surface entropy, surface energy, speed of sound, molar Gibbs free energy, molar polarizability, molar polarizability, and free molar volume have been calculated. The effects of temperature, alkyl chain length of hydrogen bond acceptors (HBAs)/hydrogen bond donors (HBDs), structure of HBDs, and HBAs anion on the physical properties of DESs were systematically investigated. The internal interaction and property change of DESs are further studied. Finally, pyridine was extracted from the simulated oil using the prepared DESs. DESs consisting of tetrabutylammonium bromide and lactic acid had the highest extraction capacity under the same conditions. The extraction efficiency was found to be strongly correlated with the alkyl chain length and the acidity of the HBDs. This work is expected to provide information on the removal of N-compounds from both theoretical and industrial perspectives.