In this paper, five barium borate glasses in the chemical composition of
40
SiO
2
–
10
B
2
O
3
–xBaO–(45-x)CaO–yZnO–zMgO (where
x
=
0
,
10
,
20
,
30
, and 35 mol
y
=
z
=
6
mol
%
) have been reported ...for radiation protection applications. Mass attenuation coefficient (
μ
/
ρ
) was obtained in the photon energy range of 356 keV–2.51 MeV using PHITS code for the proposed glasses. The
μ
/
ρ
values generated by PHITS code were verified by using both of FLUKA code and XCOM program. The
μ
/
ρ
values were then applied to derive effective atomic number (
Z
eff
), mean free path (MFP), and half value layer (HVL) for all the glasses involved. Additionally, the fast neutron removal cross sections were calculated for each glass. The results reveal that gamma-shielding properties evolve upon adding BaO content in the glasses. It is found that SBC-B35 glass has superior shielding capacity against gamma rays and fast neutrons as compared with different conventional shielding materials and commercial glasses.
Ag
2
O–MoO
3
–V
2
O
5
–TeO
2
(AMVT) glasses were reported by means of their optical properties such as polarizability, optical transmission, and optical basicity. Moreover, the photon attenuation ...properties were explored by using FLUKA simulation code for energies up to 1.275 meV. From the optical study, it was noted that the molar polarizability (α
Mol.
) decreased from 11.8630 × 10
–24
to 9.4846 × 10
–24
cm
3
, while the optical transmission increased from 0.5498 to 0.5976 as the Ag
2
O concentration increased from 0 to 25 mol%. From the photon attenuation study, the maximum values of µ/ρ (MAC, mass attenuation coefficient) were observed at 0.284 meV. Such those values were 0.1501, 0.1525, 0.1549, 0.1572, 0.1593 and 0.1616 cm
2
/g for AMVT1, AMVT2, AMVT3, AMVT4, AMVT5 and AMVT6, respectively. From the view of practical application, it is found that the HVL values of the AMVT glasses are evidently lower than those of ordinary concrete and RS-253-G18 commercial glass.
Proper shielding against radiation emitted by commonly used isotopes is essential in various medical, industrial, and nuclear facilities. In this study, we focus on the nuclear security and the ...radiation shielding against fast-neutrons, gamma-rays, and charged particles attenuation properties of the borate glasses containing zinc, bismuth, and lithium (as modifier) according to the chemical form of xBi2O3+ (25-x)Li2O+ 60B2O3+ 15ZnO, where x is varying from 0 to 20 mol%. The fundamental parameters related to gamma-shielding (e.g. attenuation and transmission factors) were investigated via FLUKA simulations for specific energies namely 0.511 and 1.275 MeV emitted by 22Na isotope, and 0.365, 0.637, 0.284, and 0.723 MeV emitted by 131I isotope. The influence of the systematic substitution of Bi2O3 by Li2O on the shielding properties was discussed in detail for gamma, neutron, and charged particles. In addition, comparative studies were also performed between the current borate glasses and the standard conventional shielding materials. The results of the present study indicate that the lowest MFP (HVL) occurred at 0.284 MeV (energy emitted by 22Na isotope) with the values (in the unit of cm) of 3.54 (2.45), 2.86 (1.98), 1.12 (0.78), 0.91 (0.63), and 0.72 (0.49) cm for the borate glasses of BLBZ1, BLBZ2, BLBZ3, BLBZ4, and BLBZ5, respectively. It was also observed that the maximum ℜ of BLBZ1 was seen at 1.3 MeV with the values of 2663.6, 19.3, 3.6, and 1.7 μm for the charged particles of an electron, proton, alpha particle, and carbon ion, respectively. This suggests that the BLBZ5 sample has a potential use in radiation shielding applications for superior nuclear security.
•Nuclear security of borate-based glass system doped with bismuth oxide is reported.•Radiation shielding properties against fast-neutrons, gamma-rays, and charged particles were investigated.•Good agreement was observed between Monte Carlo simulations and theoretical calculations.•The shielding ability of borate glass system is better than conventional materials.•The lowest HVL occurred at 0.284 MeV (energy emitted by 22Na isotope) with the value 0.49 cm for BLBZ5 sample.
In this paper, we prepared lead sodium borate glasses modified with different amount of chromium oxide according to (50-x)B2O3+ 40PbO+ 10Na2O2+ xCr2O3, where x=0, 0.5, 1, 1.5, 2, 2.5 wt%. The current ...glasses were prepared by melting the stoichiometry at 1050 °C, quenching into the water, and annealing for five hours at 250 °C. The amorphous state was proved by applying the X-ray diffraction test. The physical parameters such as density and molar volume were evaluated for each glass. The optical parameters such as bandgap, Urbach energy, refractive index, dielectric constant, reflection loss, molar polarizability, molar refractivity, optical dielectric constant, optical electronegativity, electron polarizability, optical basicity, metallization, and cut-off wavelength were obtained based on JASCO UV–Vis–NIR spectrophotometer. The shielding studies included gamma, electron, proton, and neutron radiations. The newly developed Phy-X/PSD and Phy‐X/ZeXTRa programs along with Geant4 simulations were used to estimate the radiation shielding parameters such as the attenuation and transmission factors. The effect of Cr2O3 content on the optical and radiation shielding properties was determined and well interpreted. The radiation shielding features of the prepared glasses were compared with those of various ordinary concretes, and Pb-free, Pb-based, and commercial glasses. The results revealed that the lead sodium borate glasses modified with chromium oxide could be useful for the shielding applications against gamma, electron, and neutron radiations, wherein the Cr2O3 content can be balanced according to the type and energy of incident radiation.
In this paper, we have investigated the properties of tellurite-based glass system in the form (100 -x -y)TeO2-xNbO2.5-yWO3, x = 5, 10, 15, 20, 25 mol% and y = 5 mol% for gamma and neutron shielding ...applications and to achieve that, mass attenuation coefficients ( m) for the selected glasses have been investigated using Geant4 toolkit and XCOM program, respectively, in the energy range between 1 keV and 10 MeV. A good agreement was observed between m values simulated by Geant4 and those evaluated by XCOM. The obtained m values were then utilized to derive effective atomic numbers (Zeff), mean free path (MFP), and half value layer (HVL) for the selected glasses. In addition, we used Geometric Progression method (G-P) to evaluate exposure buildup factor (EBF) values in the range of 0.015 MeV-15 MeV up to penetration depths of 40 mfp (mean free path). Among these glasses, the glass coded as TN05W05 is a superior shielding material against gamma-rays as compared with different traditional concretes, commercial glass, and HMO glasses. In addation, the fast neutron removal cross sections were calculated for the glasses involved. It is found that the present glasses offer an excellent ability for protecting against fast neutrons. Present investigation on shielding properties of the selected tellurite-based glasses would be useful for radiation protection application.
In this study, five samples of tellurite-based glasses with chemical composition TeO
2
–ZnO–NiO coded as (TZN1–TZN5) have been reported to investigate their optical and gamma-ray shielding ...properties. Index of refraction (
n
o
), molar refraction (
R
M
), molar polarizability (
α
M
), metallization property (
M
), and static dielectric constant (
ε
) for all the proposed glasses have been determined. Mass attenuation coefficients (
μ
/
ρ
) for the proposed glasses were calculated by Geant4 simulation code and WinXCOM software in the photon energy region 0.001–10 MeV. The obtained values from these methods were compared, and the correlation factor for each glass sample (
R
2
) value was found to be 0.999. Based on the obtained values of
μ
/
ρ
and densities of the samples, different γ-ray shielding parameters such as half-value layer (HVL), effective atomic number (
Z
eff
), and mean free path were evaluated. The HVL values for the selected glasses decreased in the order TZN1 < TZN2 < TZN3 < TZN4 < TZN5 and shielding effectiveness for the studied glasses were compared in the term of MFP with some traditional concretes, commercial glasses, and heavy metal oxide glasses. Results reveal that the studied glasses are promising candidates for radiation-shielding applications and can be applied in several of optical devices.
A high performance simulation method is an essential research tool, especially for some complicated problems related to the radiation exposure and human health. In this paper, we study the ...radiation-transmission and self-absorption factors of the newly developed P2O5 – SrO – Sb2O3 glass system using 3D Geant4 simulations. The validation of our results is presented against a collection of theoretical methods by calculating the mass/linear attenuation coefficients (MAC & LAC). A good agreement between our simulation results and the theoretical ones demonstrates that the present simulation model can be helpful for solving further problems in the radiation shielding field. The obtained data are then utilized to assess the radiation shielding efficiency and half value layer for the samples within P2O5 – SrO – Sb2O3 glass system. Finally, we compare the shielding competence of our glass system with the published data of several standard shields. The results reveal that the mean free paths (MFPs) of PSS4 glass sample are smaller than those of RS-253-G18 (standard shield) and ordinary concrete. This means that the Sb2O3 content may play a beneficial role to improve the shielding competence of the present glass system. Therefore, the P2O5 – SrO – Sb2O3 glass system has a potential use to be a successful application for radiation protection (shielding) in the nuclear sites.
•A newly developed P2O5 – SrO – Sb2O3 glass system is reported.•Geant4 simulations are used.•Radiation transmission & absorption features are investigated.•Significant influence of Sb2O3 is observed.
Boro-zinc-tellurite glasses in the chemical composition of xTeO
2
–(30 − x)Li
2
O–20ZnO–50B
2
O
3
(x is ranging from 0 to 20 mol% with step of 5) were systematically studied by means of their optical ...features such as molar polarizability (α
m
), molar refraction (R
m
), optical transmission (T), metallization principle (M), and reflection loss (R
L
). Moreover, the Monte Carlo method (via FLUKA code) was applied to investigate the photon and neutron attenuation properties by estimating the mass attenuation coefficient (MAC) of the glasses involved. The MAC values were then utilized to assess various photon attenuation parameters such as HVL, EAN, and MFP. Finally, an extended comparison was achieved between the MFP values of the present glasses and those of various commonly used radiation shields. The results showed that the general trend in MAC throughout the energy spectrum was (TL1)
MAC
< (TL2)
MAC
< (TL3)
MAC
< (TL4)
MAC
< (TL5)
MAC
. The TeO
2
addition (the substitution of Li
2
O by TeO
2
) has a notable impact to increase the LAC values indicating to improve the photon attenuation ability of the current glass specimens. The maximum
Σ
R
value was around 0.12 cm
−1
for TL1 glass specimen. The investigated glasses could be used for various radiation applications as non-toxic and transparent shields against photon and neutron radiations.
For safe immobilization of nuclear waste, lead-iron phosphate glasses are promising as high-level commercial and defense materials. In this research article, the compositional, elastic, and gamma ...shielding properties of the glasses containing (80 − x)P
2
O
5
– xFe
2
O
3
–20PbO with x = 20, 25, 30, 35 mol% were reported. The compositional and elastic parameters including the micro-hardness of the investigated glass samples were obtained based on Makishima-Mackenzie’s theory (MM-theory) and R model. We found that the deviation between these two methods decreased as Fe
2
O
3
concentrations increased from 20 to 35 mol %. Additionally, γ-ray attenuation properties of the P
2
O
5
– Fe
2
O
3
–PbO glass system were evaluated using Geant4 simulation toolkit. The simulation results were compared with the theoretical ones extracted from Py-MLBUF software. The obtained results reveal that the MACs of the glasses vary from 0.030 to 40.014 cm
2
/g for PFP-A, from 0.031 to 41.502 cm
2
/g for PFP-B, 0.031 to 43 cm
2
/g for PFP-C and from 0.031 to 44.400 cm
2
/g for PFP-D. Maximum Z
eff
values of present glasses are obtained at 0.10 MeV whereas minimum Z
eff
values are obtained at 1.5 MeV. Finally, the fundamental γ-ray attenuation properties of the P
2
O
5
– Fe
2
O
3
–PbO glass system are found to be comparable with those of traditional and commercial radiation shields such as RS-253-G18 and RS-360 commercial glasses, ordinary concrete, barite concrete and TBZP10 from scientific literature. The results indicated that MFPs of the investigated glasses are lower than those of RS-360 glass, but they are higher than those of barite concrete and TBZP10.
The aberrant expression of aldo keto reductases (AKR1B1 & AKR1B10) has been extensively studied in different types of cancer especially the colon cancer but a very few studies have yet been reported ...regarding the discovery of inhibitors for the treatment of colon cancer by targeting these isozymes. Therefore, there is a need of selective inhibitors of both targets for the eradication of colon cancer. Currently, the study is focused on the exploration of two quinolone compounds i.e., (S)-(6-Methoxyquinolin-4-yl)(1S,2R,4S,5R)-5-vinylquinuclidin-2-ylmethanol (Quinidine) and (R)-(6-Methoxyquinolin-4-yl)(1S,2S,4S,5R)-5-vinylquinuclidin-2-ylmethanol (Quinine) as the potential inhibitors of AKR1B1 and AKR1B10 via detailed in-silico approach. The structural properties including vibrational frequencies, dipole moment, polarizability and the optimization energies were estimated using density functional theory (DFT) calculations; where both compounds were found chemically reactive. After that, the optimized structures were used for the molecular docking studies and here quinidine was found more selective towards AKR1B1 and quinine exhibited maximum inhibition of AKR1B10. The results of molecular docking studies were validated by molecular dynamics simulations which provided the deep insight of stability of protein ligand complex. At the end, the ADMET properties were determined to demonstrate the druglikeness properties of both selected compounds. These findings suggested further exploration of both compounds at molecular level using different in-vivo and in-vitro approaches that will lead to the designing of potential inhibitor of AKR1B1/AKR1B10 for curing colon cancer and related malignancies.
