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Open Chemistry

ISSN: 2391-5420

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About this journal

Open Chemistry is a peer-reviewed open access journal that publishes original research, reviews, and communications in the fields of chemistry in an ongoing way. Our central goal is to provide a hub for researchers working across all subjects to present their discoveries, and to be a forum for the discussion of the important issues in the field.

Aims and Scope

Open Chemistry aims to publish high quality research in the following areas:

Biological Chemistry/Biochemistry including bioanalytical chemistry, biochemistry and biological chemistry, biophysics and chemical physics in biology

Analytical Chemistry including electrochemistry, environmental chemistry, spectroscopy
Physical Chemistry including catalysis, chemical kinetics and reactivity, chemical physics, computational chemistry, chemometrics and QSAR, hydrogen technologies, hydrogen storage, nanochemistry, photochemistry, physical chemistry and physical organic chemistry, radiochemistry and nuclear chemistry, supramolecular chemistry, surface chemistry and colloids, theoretical chemistry, thermodynamics
Inorganic Chemistry including coordination chemistry, crystallography, materials and solid- state chemistry
Organic Chemistry including macromolecules and polymers, natural product chemistry, organic chemistry, organometallic chemistry, phytochemistry
Interference with other sciences including clinical chemistry, marine chemistry, medicinal chemistry, pharmaceutical chemistry

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In order to sustain the publishing process, each article accepted for publication in Open Chemistry is subject to an Article Processing Charge of €1200. This fee is used to cover the costs of the peer-review process, professional typesetting and copyediting, as well as online hosting, long-term preservation, and extensive promotion to potential readers. There is no submission fee. Information regarding payment of the charge will be provided following acceptance for publication. For more information please go to Article Processing Charges

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Detailed information on Editorial Policy, Publication Ethics, Instructions for Authors etc. can be found in the Supplementary Materials section.

For more information on De Gruyter Publishing Ethics, please see the De Gruyter Guidelines online here.

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As an Author of Open Chemistry, You benefit from

fair and constructive peer review

quick online publication of accepted papers (continuous publication model)

language polishing services upon acceptance for authors from non-English speaking regions

no limitations on colour figures and word count in published articles

all articles are freely available to the academic community worldwide without any restrictions

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distribution to open access directories (such as DOAJ) and thousands of libraries worldwide

liberal policies on copyrights (authors retain copyright) and on self-archiving (no embargo periods)

secure archiving by De Gruyter and the independent archiving service Portico

Special Issues:

Advancements at the Nexus of Mathematics, Artificial Intelligence, and IoT in Medicinal Chemistry and Healthcare
Submission deadline: 30 June 2024

Phytochemical and Pharmacological Scrutinization of Medicinal Plants
Submission deadline: 30 June 2024
Marine environmental sciences and significance of the multidisciplinary approaches for assessing pollutions, remedies, and predictions
Submission deadline: 31 August 2024

Advanced Nanomaterials for Energy, Environmental and Biological Applications
Submission deadline: 31 September 2024

You are also welcome to submit your Special Issue proposal by contacting Managing Editor at openchemistry@degruyter.com

Cooperation with conferences:

CFP Applied Biochemistry and Biotechnology 2023
Submission deadline: 30.11.2023

World Chemistry Forum 2024
Date: 1.02 - 3.02.2024

2nd International Summit on Biopolymers and Polymer Science
Date: 10-12.06.2024

4th Edition of the International Conference on Green Chemistry and Renewable Energy
Date: 17-19.06.2024

11th International Conference on Materials Research and Nanotechnology
Date: 1.07 – 2.07.2024

2nd Global Summit on Advanced Materials and Sustainable Energy (GAMSE24)
Submission Deadline: 31.07.2024

European Congress of Applied Chemistry (ECAC24)
Submission Deadline: 31.07.2024
International Conference on Functional Nanomaterials and Nanodevices 2024 (NANOMAT2024)
Submission Deadline: 30.09.2024

World Summit and Expo on Polymers and Composite Materials
Submission Deadline: 30.11.2024

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Supplementary Materials

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Volume 21 Issue 1

January 2023

Human neutrophil elastase (HNE) plays a crucial role in causing tissue damage in various chronic and inflammatory disorders, making it a target for treating inflammatory diseases. While some inhibitors of HNE’s activity have been identified, only a few have made it to clinical trials. In this study, computational methods were employed to identify potential natural products (NPs) capable of targeting the active site of HNE. The protein–ligand complex has been used to generate a pharmacophore model. A library of 449,008 NPs from the SN3 database was screened against the generated model, resulting in 29,613 NPs that matched the pharmacophore hypothesis. These compounds were docked into the protein active site, resulting in the identification of six promising NPs with better docking scores than the bound ligand to HNE. The top two NPs (SN0338951 and SN0436937) were further evaluated for their interaction stability with HNE through molecular dynamics simulations. Further, the pharmacokinetics and toxicity properties of these compounds were predicted. The results indicated that these two compounds have stable interactions with HNE, as well as, acceptable pharmacokinetic properties. These findings pave the path for further in vitro and in vivo studies of SN0338951 and SN0436937 as promising agents against inflammatory diseases.

The two most prominent areas of nanotechnology and nanoscience are environmental remediation and biomedical applications, which has a strong need to develop cleaner and more eco-friendly methods for preparing functional nanomaterials. This involves incorporating non-toxic chemicals and reagents for converting metal cations into metal or metal oxide nanoparticles (NPs), using readily available plant reagents and microbes as redox mediators. The extracts of these plants and microbes contain varying amounts of phytochemicals and metabolites that act as redox mediators and capping agents to stabilize biosynthesized NPs. Considering these natural reagents for forming metal/metal oxide NPs, the present work aims to provide a complete review of the green fabrication of nickel oxide (NiO) NPs using extracts from various plant and microbial sources. In addition, the performance of various biosynthesized NiO NPs and their potential uses in biological applications are discussed.

Rapid Communication

Open Access June 20, 2023

Determination of the contents of bioactive compounds in St. John’s wort (Hypericum perforatum): Comparison of commercial and wild samples

Paweł Rychlewski, Elham Kamgar, Sylwia Mildner-Szkudlarz, Przemysław Łukasz Kowalczewski, Joanna Zembrzuska

Article number: 20220347

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Abstract

St. John’s wort ( Hypericum perforatum ) is a medicinal plant with a rich history of traditional use. It has been shown to possess a range of beneficial health properties, including antioxidant and anti-inflammatory activities. In this study, the content of flavonoids and the antioxidant activity of commercially available dried and wild-grown samples were analyzed using the LC–MS/MS method. In addition, these samples were evaluated for their functional constituents, such as phenolic acids (ferulic, caffeic, chlorogenic, and gallic acids), quercetin, rutin, pseudohypericin, and hypericin using the liquid chromatography tandem mass spectrometry method. The most important antioxidant constituents in the samples analyzed were polyphenols with chlorogenic acid as the predominant compound. The content of the most important biocomponents with antidepressant activity was also analyzed. The results suggest that wild plants exposed to more stress factors have higher amount of compounds with antidepressant effects than plants grown in controlled conditions.

This study aims to contribute to the valorizing of aromatic and medicinal plants of Morocco by studying the antioxidant and antifungal properties of the essential oils (EOs) of Allium sativum (AS) (garlic) and Urginea maritima (Syn. Drimia maritima ) tested in vitro . After the hydrodistillation of EOs, we determined their physicochemical indices according to an international standard (Moroccan ISO standard), and the chemical composition of the oils was studied by gas chromatography coupled with mass spectrometry (GC-MS). Then, the antioxidant properties were determined using the free radical scavenging capacity of 2,2-diphenyl-1-picrylhydrazyl and the ferric-reducing antioxidant power of these oils. The evaluation of the antifungal activity was carried out by the direct contact method against two fungal strains, Fusarium oxysporum and Fusarium equiseti . GC-MS analysis revealed a significant percentage of terpenes in U. maritima EO, with terpinolene (21.82%) and estragole (6.24%) as the main compounds. Biological tests have demonstrated the remarkable antioxidant activities of this EO compared with AS EO, with an IC 50 of 1.03 mg/mL and an RP 0.5 of 1.60 mg/mL. On the other hand, while A. sativum (garlic) EO showed exceptional antifungal activities, with 100% inhibition and MICs of 0.5 µL/mL for F. equiseti and 2.5 µL/mL for F. oxysporum. Also, regardless of its antioxidant properties being moderate, this EO stands out for its efficacy against fungal infections of the Fusarium genus. In summary, the results suggest that U. maritima EO could be used as a natural source of antioxidants, while garlic EO could be considered a potentially effective treatment against fungal infections caused by Fusarium fungi.

Special Issue on Applied Biochemistry and Biotechnology (ABB 2022)

Open Access March 1, 2023

A novel electrochemical micro-titration method for quantitative evaluation of the DPPH free radical scavenging capacity of caffeic acid

Xiaofen Li, Zhi Yang, Yuntao Gao, Huabin Xiong

Article number: 20220228

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Abstract

In this report, the stoichiometric ratio ( R ) for the interaction of diphenylpicrylhydrazyl (DPPH) radicals with the antioxidant was employed as an evaluation index for the DPPH radical scavenging activity of antioxidants. This evaluation index was related only to the stoichiometric relationship of DPPH radicals with the antioxidant and had no relationship with the initial DPPH amount and the sample volume, which could offer a solution to the problem of poor comparability of EC 50 values under different conditions. A novel electrochemical micro-titration method was proposed for the determination of the stoichiometric ratio ( R ) for the interaction of DPPH radicals with the antioxidant. This electrochemical micro-titration model was verified using caffeic acid as the DPPH radical scavenger, with the stoichiometric ratio ( R ) of DPPH radicals to caffeic acid determined to be in the range of 2.003–2.046. The calculated EC 50 values were 0.513, 1.011, and 1.981 × 10 –5 mol/L for 2.10, 4.05, and 8.02 × 10 –7 moL of added DPPH radicals, respectively. The proposed method showed no differences from the conventional method, but had better precision and reliability, and used a smaller amount of sample.

Open Access September 25, 2023

Analysis of secondary metabolites in Xinjiang Morus nigra leaves using different extraction methods with UPLC-Q/TOF-MS/MS technology

Xue-Li Guo, Lu Yang, Si-Lin Yu, Ke Zhang, Jin-Hui Wang, Hang-Yu Wang

Article number: 20220320

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Abstract

Objective The differences in the chemical composition of Morus nigra ( M. nigra ) extracts from four different extraction methods, ultrasound-assisted extraction with pure water (WU), pure water decoction extraction (WD), ultrasonic-assisted extraction with formic acid water (FAU), and pure water heat reflux extraction (WHR), were identified using ultra-high performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS/MS) technology. Method A Waters ACQUITY BEH C18 (1.7 μm, 2.1 mm × 100 mm) was used, with a column temperature of 45°C, mobile phase of methanol and 0.1% formic acid aqueous solution, and gradient elution with a flow rate of 0.4 mL/min. Detection was performed in positive and negative ion modes, and compounds were identified using Progenesis QI software and mass spectrometry data reported according to the literature and laboratory self-built databases of the Mulberry genus. Multivariate statistical techniques, such as principal component analysis and orthogonal partial least squares-discriminant analysis, were applied to differential cluster metabolic profiles and chemical components and to screen the differential chemical components of M. nigra leaves. Results There were significant differences in the chemical composition between WD and the other extraction methods of M. nigra leaves. A total of 13 differential metabolites (4 flavonoids, 3 organic acids, 3 phenylpropanoids, 2 alkaloids, and 1 trisaccharide) were identified. Conclusion The multivariate statistical analysis and UPLC-Q-TOF-MS/MS method established in this study identified the differential chemical constituents of Xinjiang M. nigra leaves using different extraction methods, which provides a basis for the quality control of M. nigra leaves, and provides basic data for revealing the influence of extraction methods on the synthesis and accumulation of M. nigra leaf metabolites, which has certain reference significance.

Special Issue on Applied Biochemistry and Biotechnology (ABB 2023)

Open Access September 14, 2023

Identification of genetic polymorphisms in the stearoyl CoA desaturase gene and its association with milk quality traits in Najdi sheep

Abdulkareem M. Matar, Maged A. Al-Garadi, Riyadh S. Aljummah, Islem Abid, Moez Ayadi

Article number: 20230118

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Abstract

The nutritional quality of milk, which is determined by its fatty acid (FA) composition, and the candidate gene stearoyl-CoA desaturase (SCD) can be used in conjunction with these traits to improve the quality of dairy products. The aim of this study was to identify single nucleotide polymorphism (SNP) of the SCD gene and its associations with the milk composition and FA profiles of Najdi dairy sheep and 72 multiparous Najdi ewes under the same feeding system. Milk and blood samples were taken during the first lactation (<30 days in milk). Analysis and alignment DNA sequences identified SNP g.87C>A in the promoter and SNP g.1033G>A in exon 2 of the SCD gene. Association analysis showed that SNP g.87C>A was significantly associated ( P ≤ 0.05) with palmitic acid (C16:0), alpha linoleic acid (ALA – C18:3-n3), linolenic acid (LA – C18:2-n6), and polyunsaturated fatty acid (PUFA). In addition, the SNP g.1033G>A showed a significant ( P < 0.05) association with odd-chain FAs (heptadecanoic acid [C17:0] and heneicosanoic acid [C21:0]). The results showed that SCD gene may be important in the synthesis of PUFA and contributes to healthier dairy products. Overall, the Najdi breed SNP SCD gene showed that the association with milk traits is crucial, particularly with essential fatty acids: ALA-n3 and LA-n6 in milk fat.

Open Access September 20, 2023

Cold-acclimation effect on cadmium absorption and biosynthesis of polyphenolics, and free proline and photosynthetic pigments in Spirogyra aequinoctialis

Chand Bibi, Fazal Hadi, Nasir Ali, Muhammad Zahoor, Alam Zeb, Riaz Ullah, Essam A. Ali, Abdul Bari Shah

Article number: 20230127

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Abstract

Herein, a link has been established between cold acclimation and Cd uptake in Spirogyra aequinoctialis. The water samples supplemented with cadmium (0.1, 0.5, and 1.0 mg/L) were used for plant growth at two different temperatures. Cold-acclimated plants accumulated high concentrations (0.40 ± 0.02 µg/dry biomass) of Cd as compared to non-acclimated plants (0.30 ± 0.08 µg/dry biomass). The negative effects of Cd on the biomass, carotenoids, and chlorophyll contents in non-acclimated plants were more pronounced in non-acclimated plants as compared to the cold-acclimated plants. High concentrations of free proline and total phenolics in cold-acclimated plants were observed as compared to the non-acclimated plants. About 13 different phenolic compounds were identified using high-pressure liquid chromatography. Cold acclimation as well as the presence of Cd in water highly increased the concentrations of polyphenolics, while synergistic increase was recorded with the combination of cold acclimation and Cd treatments. The highest increase in the concentration of polyphenolics was recorded for syringic acid. Significant positive correlations of total phenolics were noted with dry biomass ( R 2 = 0.51) and Cd accumulation ( R 2 = 0.59) in plant tissues. Free proline concentration also showed positive correlations with dry biomass, Cd accumulation, and chlorophyll contents ( R 2 = 0.80).

Gold extraction from the rock is generally carried out using mercury. However, the high toxicity of mercury has a very dangerous impact on the environment and health. Various efforts have been made to reduce the use of mercury in gold extraction, one of which is the leaching method using thiosulphate and thiourea solution because they have low toxicity and are environmentally friendly. This study aimed to determine the results of gold extraction with thiosulphate and thiourea solution and determined the optimum concentration and time of extraction. The yield of the gold extract with thiosulphate solution was greater than that of thiourea solution. The thiosulphate solution had an optimum concentration of 0.3 M and an optimum time of 2 h. While the thiourea solution had an optimum concentration of 0.2 M and an optimum time of 3 h. The results of the Friedman test on the leaching time and concentration parameters show that leaching time has a significant effect on the Au leaching process, and the concentration parameter does not affect the Au leaching process from solid samples.

Because of the potential bioactivities, nanoparticles have engendered hope in scientific communities for developing novel therapeutic strategies. In the present study, it was tested whether selenium nanoparticles (Se-NPs) can protect the liver in mothers with gestational diabetes (DM). The gestational rats were divided into three groups ( n = 8). Group 1 (CN) received the vehicle, Group 2 (DM) received a single intraperitoneal injection of 165 mg/kg of alloxan, and Group 3 (DM + Se-NPs) received a single intraperitoneal injection of 165 mg/kg alloxan and then treated with Se-NPs at a dose of 2.5 mg/kg twice a week for 6 weeks; 1 week before gestation and continued for 5 weeks. The structure of the fabricated Se-NPs modified with ascorbic acid indicated that nano-Se was associated with a carbon matrix. The body weight of diabetic mothers was lower compared to control animals. The use of Se-NPs as a treatment has led to significant restoration of the body weight in diabetic rat mothers compared to those diabetic animals without treatment. Concentrations of alanine transaminase, aspartate aminotransferase, LDH, malondialdehyde, cholesterol, triglycerides, and glucose were significantly increased in diabetic rats, while glutathione significantly declined in comparison to control gestational rats. Interestingly, Se-NPs in DM + Se-NPs rats were found to restore all these parameters to values close to the control levels. Se-NPs could improve the histological structure of the liver in gestational rats with diabetes (DM + Se-NPs). Our data demonstrate that Se-NPs shield the liver structure and function in gestational rats against alloxan-induced diabetes.

Open Chemistry

A network-based correlation research between element electronegativity and node importance

Abstract

Pomegranate attenuates kidney injury in cyclosporine-induced nephrotoxicity in rats by suppressing oxidative stress

Abstract

Ab initio study of fundamental properties of XInO3 (X = K, Rb, Cs) perovskites

Abstract

Responses of feldspathic sandstone and sand-reconstituted soil C and N to freeze–thaw cycles

Abstract

Robust fractional control based on high gain observers design (RNFC) for a Spirulina maxima culture interfaced with an advanced oxidation process

Abstract

Study on arsenic speciation and redistribution mechanism in Lonicera japonica plants via synchrotron techniques

Abstract

Optimization of machining Nilo 36 superalloy parameters in turning operation

Abstract

Vacuum impregnation pre-treatment: A novel method for incorporating mono- and divalent cations into potato strips to reduce the acrylamide formation in French fries

Abstract

Characterization of effective constituents in Acanthopanax senticosus fruit for blood deficiency syndrome based on the chinmedomics strategy

Abstract

Comparative analysis of the metabolites in Pinellia ternata from two producing regions using ultra-high-performance liquid chromatography–electrospray ionization–tandem mass spectrometry

Abstract

The assessment of environmental parameter along the desalination plants in the Kingdom of Saudi Arabia

Abstract

Effects of harpin and carbendazim on antioxidant accumulation in young jujube leaves

Abstract

The effects of in ovo injected with sodium borate on hatching performance and small intestine morphology in broiler chicks

Abstract

Optimization of cutting forces and surface roughness via ANOVA and grey relational analysis in machining of In718

Abstract

Essential oils of Origanum compactum Benth: Chemical characterization, in vitro, in silico, antioxidant, and antibacterial activities

Abstract

Translocation of tungsten(vi) oxide/gadolinium(iii) fluoride in tellurite glasses towards improvement of gamma-ray attenuation features in high-density glass shields

Abstract

Mechanical properties, elastic moduli, and gamma ray attenuation competencies of some TeO2–WO3–GdF3 glasses: Tailoring WO3–GdF3 substitution toward optimum behavioral state range

Abstract

Comparison between the CIDR or sponge with hormone injection to induce estrus synchronization for twining and sex preselection in Naimi sheep

Abstract

Exergetic performance analyses of three different cogeneration plants

Abstract

Psoralea corylifolia (babchi) seeds enhance proliferation of normal human cultured melanocytes: GC–MS profiling and biological investigation

Abstract

Comparative study between supported bimetallic catalysts for nitrate remediation in water

Abstract

Persicaline, an alkaloid from Salvadora persica, inhibits proliferation and induces apoptosis and cell-cycle arrest in MCF-7 cells

Abstract

Determination of nicotine content in locally produced smokeless tobacco (Shammah) samples from Jazan region of Saudi Arabia using a convenient HPLC-MS/MS method

Abstract

Changes in oxidative stress markers in pediatric burn injury over a 1-week period

Abstract

Integrated geophysical techniques applied for petroleum basins structural characterization in the central part of the Western Desert, Egypt

Abstract

The impact of chemical modifications on gamma-ray attenuation properties of some WO3-reinforced tellurite glasses

Abstract

Microwave and Cs+-assisted chemo selective reaction protocol for synthesizing 2-styryl quinoline biorelevant molecules

Abstract

Structural, physical, and radiation absorption properties of a significant nuclear power plant component: A comparison between REX-734 and 316L SS austenitic stainless steels

Abstract

Effect of Moringa oleifera on serum YKL-40 level: In vivo rat periodontitis model

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Investigating the impact of CO2 emissions on the COVID-19 pandemic by generalized linear mixed model approach with inverse Gaussian and gamma distributions

Abstract

Influence of WO3 content on gamma rays attenuation characteristics of phosphate glasses at low energy range

Abstract

Study on CO2 absorption performance of ternary DES formed based on DEA as promoting factor

Abstract

Performance analyses of detonation engine cogeneration cycles

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Sterols from Centaurea pumilio L. with cell proliferative activity: In vitro and in silico studies

Abstract

Untargeted metabolomics revealing changes in aroma substances in flue-cured tobacco

Abstract

Effect of pumpkin enriched with calcium lactate on iron status in an animal model of postmenopausal osteoporosis

Abstract

Energy consumption, mechanical and metallographic properties of cryogenically treated tool steels

Abstract

Optimization of ultra-high pressure-assisted extraction of total phenols from Eucommia ulmoides leaves by response surface methodology

Abstract

Harpin enhances antioxidant nutrient accumulation and decreases enzymatic browning in stored soybean sprouts

Abstract

Physicochemical and biological properties of carvacrol

Ab initio study of fundamental properties of XInO₃ (X = K, Rb, Cs) perovskites

Mechanical properties, elastic moduli, and gamma ray attenuation competencies of some TeO₂–WO₃–GdF₃ glasses: Tailoring WO₃–GdF₃ substitution toward optimum behavioral state range

The impact of chemical modifications on gamma-ray attenuation properties of some WO₃-reinforced tellurite glasses

Microwave and Cs⁺-assisted chemo selective reaction protocol for synthesizing 2-styryl quinoline biorelevant molecules

Investigating the impact of CO₂ emissions on the COVID-19 pandemic by generalized linear mixed model approach with inverse Gaussian and gamma distributions

Influence of WO₃ content on gamma rays attenuation characteristics of phosphate glasses at low energy range

Study on CO₂ absorption performance of ternary DES formed based on DEA as promoting factor

Anti-Alzheimer, antioxidants, glucose-6-phosphate dehydrogenase effects of Taverniera glabra mediated ZnO and Fe₂O₃ nanoparticles in alloxan-induced diabetic rats

Experimental study on photocatalytic CO₂ reduction performance of ZnS/CdS-TiO₂ nanotube array thin films

Thymbra spicata leaf extract driven biogenic synthesis of Au/Fe₃O₄ nanocomposite and its bio-application in the treatment of different types of leukemia

The role of Ag₂O incorporation in nuclear radiation shielding behaviors of the Li₂O–Pb₃O₄–SiO₂ glass system: A multi-step characterization study

An exploration of the physical, optical, mechanical, and radiation shielding properties of PbO–MgO–ZnO–B₂O₃ glasses