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Molecules
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Eco-Friendly Materials and Their Applications
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Eco-Friendly Materials and Their Applications

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: closed (1 May 2023) | Viewed by 5741

Special Issue Editors

Dr. Hany M. Abd El-Lateef

E-Mail Website
Guest Editor
1. Chemistry Department, College of Science, King Faisal University, Al-hasa, Saudi Arabia
2. Chemistry Department, Faculty of Science, Sohag University, Sohag, Egypt
Interests: physical and thermodynamic performance of molecules; functional composite; surfactant-based composite; nanostructured materials; surfactant adhesion; eco-friendly corrosion inhibitors; environmental research; water treatment; recyclable materials
Special Issues, Collections and Topics in MDPI journals
Dr. Mai Mostafa Khalaf Ali

E-Mail Website
Guest Editor
1. Chemistry Department, College of Science, King Faisal University, Al-hasa, Saudi Arabia
2. Chemistry Department, Faculty of Science, Sohag University, Sohag, Egypt
Interests: nanostructured and nanocomposites materials; environmental research (water treatment); application studies in heterogeneous catalysis (organic synthesis and electrocatalysis); application studies in protective coatings films; application studies in various adsorption processes

Special Issue Information

Dear Colleagues,

The term “eco-friendly materials” most commonly refers to products that contribute to green living or practices that help to conserve resources such as water and energy.  Furthermore, reducing the impact of environmental pollution is an important and crucial requirement that can be achieved through the creation of environmentally friendly products and the management of environmentally friendly workplaces. This requires the innovation of products characterized by high efficiency in terms of energy consumption and providing better tools to monitor and evaluate both short- and long-term trends affecting eco-friendly and sustainable products. This Special Issue aims to address the existing limitations on two levels: it will publish papers which develop sustainable and eco-friendly production systems to rationalize the consumption of available energy sources; as well as those that discuss the sustainability of livelihoods that depend on water and renewable energy resources. Such goals and challenges are being achieved by highlighting the essential role of energy in sustainable progress, as well as the need to develop clear strategies for recycling the consumed materials. Likewise, it is important to advance the research and development of renewable energies by highlighting the various applications including water treatment and renewable energy sources, and to advance alternative eco-friendly products that replace them.

The scope of the Special Issue includes the following:

  • Functional composites for environmental research;
  • Recyclable materials and green compounds;
  • Eco-friendly compounds and applications including water treatment, corrosion protection, and antimicrobial resistance;
  • Semiconductors and sustainable energy materials.

Dr. Hany M. Abd El-Lateef
Dr. Mai Mostafa Khalaf Ali
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • environmental research
  • water treatment
  • semiconductors and energetic systems
  • sustainable molecules
  • inhibitors based on green compounds
  • antifungal microbial molecules
  • natural products
  • experimental and computational studies
  • rechargeable batteries

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Further information on MDPI's Special Issue polices can be found here.

Published Papers (3 papers)

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Research

30 pages, 9957 KiB  
Article
An Integrated Experimental and Theoretical Studies on the Corrosion Inhibition of Carbon Steel by Harmal Extracts
by Hassan H. Hammud, Sarah A. Maache, Nasreen Al Otaibi and Nadeem S. Sheikh
Molecules 2022, 27(21), 7250; https://doi.org/10.3390/molecules27217250 - 25 Oct 2022
Cited by 7 | Viewed by 1528
Abstract
The corrosion inhibition effect of the three extracts from Harmal roots (HRE), leaves (HLE), and flowers (HFE) were studied for carbon steel corrosion inhibition in 0.25 M H2SO4 solution. The electrochemical impedance study indicated that the three types of extracts [...] Read more.
The corrosion inhibition effect of the three extracts from Harmal roots (HRE), leaves (HLE), and flowers (HFE) were studied for carbon steel corrosion inhibition in 0.25 M H2SO4 solution. The electrochemical impedance study indicated that the three types of extracts decreased corrosion effectively through a charge transfer mechanism. Harmal roots and leaf extracts showed inhibition values of 94.1% and 94.2%, while it was 88.7% for Harmal flower extract at the inhibitor concentration of 82.6 ppm. Potentiodynamic polarization data revealed that Harmal extracts acted through predominant cathodic type inhibition. Both the corrosion current density and corrosion rate decreased significantly in the presence of Harmal extracts compared to blank solution. The corrosion rate (mpy) value was 63.3, 86.1, and 180.7 for HRE, HLE, and HFE, respectively. The adsorption-free energy change ΔGads (kJ·mol−1) values calculated from the Langmuir adsorption isotherm plots were for HRE (−35.08), HLE (−33.17), and HFE (−33.12). Thus, corrosion inhibition occurred due to the adsorption of Harmal extract on the carbon steel surface via the chemisorption mechanism. Moreover, a computational investigation using B3LYP/6-311G++(d,p) basis set in both gaseous and aqueous phases was performed for the major alkaloids (1–8) present in the Harmal extract. Full article
(This article belongs to the Special Issue Eco-Friendly Materials and Their Applications)
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15 pages, 2673 KiB  
Article
Pumice as a Novel Natural Heterogeneous Catalyst for the Designation of 3,4-Dihydropyrimidine-2-(1H)-ones/thiones under Solvent-Free Conditions
by Hany M. Abd El-Lateef, Mohamed Gouda, Mai M. Khalaf, Saad Shaaban, Nadia A. A. Elkanzi, El Sayed A. Saber, Antar A. Abdelhamid and Ali M. Ali
Molecules 2022, 27(18), 6044; https://doi.org/10.3390/molecules27186044 - 16 Sep 2022
Cited by 5 | Viewed by 1705
Abstract
In this study, pumice is used as a novel natural heterogeneous catalyst for the synthesis of 3,4-dihydropyrimidine-2-(1H)-ones/thiones via the one-pot multi-component condensation of aromatic aldehydes, urea/thiourea, and ethyl acetoacetate or acetylacetone in excellent yields (up to 98%). The physical and chemical [...] Read more.
In this study, pumice is used as a novel natural heterogeneous catalyst for the synthesis of 3,4-dihydropyrimidine-2-(1H)-ones/thiones via the one-pot multi-component condensation of aromatic aldehydes, urea/thiourea, and ethyl acetoacetate or acetylacetone in excellent yields (up to 98%). The physical and chemical properties of the catalyst were studied. Their geochemical analysis revealed a basaltic composition. Furthermore, X-ray diffraction showed that it is composed of amorphous materials with clinoptilolite and heulandites zeolite minerals in its pores. Moreover, pumice has a porosity range from 78.2–83.9% (by volume) and is characterized by a mesoporous structure (pore size range from 21.1 to 64.5 nm). Additionally, it has a pore volume between 0.00531 and 0.00781 m2/g and a surface area between 0.053 and 1.47 m2/g. The latter facilitated the reaction to proceed in a short time frame as well as in excellent yields. It is worth noting that our strategy tolerates the use of readily available, cheap, non-toxic, and thermally stable pumice catalyst. The reactions proceeded smoothly under solvent-free conditions, and products were isolated without tedious workup procedures in good yields and high purity. Indeed, pumice can be reused for at least five reuse cycles without affecting its activity. Full article
(This article belongs to the Special Issue Eco-Friendly Materials and Their Applications)
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25 pages, 8272 KiB  
Article
The Inhibitory Potential of 2′-dihalo Ribonucleotides against HCV: Molecular Docking, Molecular Simulations, MM-BPSA, and DFT Studies
by Ahmed Khalil, Amany S. El-Khouly, Eslam B. Elkaeed and Ibrahim H. Eissa
Molecules 2022, 27(14), 4530; https://doi.org/10.3390/molecules27144530 - 15 Jul 2022
Cited by 5 | Viewed by 1926
Abstract
Sofosbuvir is the first approved direct-acting antiviral (DAA) agent that inhibits the HCV NS5B polymerase, resulting in chain termination. The molecular models of the 2′-dihalo ribonucleotides used were based on experimental biological studies of HCV polymerase inhibitors. They were modeled within HCV GT1a [...] Read more.
Sofosbuvir is the first approved direct-acting antiviral (DAA) agent that inhibits the HCV NS5B polymerase, resulting in chain termination. The molecular models of the 2′-dihalo ribonucleotides used were based on experimental biological studies of HCV polymerase inhibitors. They were modeled within HCV GT1a and GT1b to understand the structure–activity relationship (SAR) and the binding interaction of the halogen atoms at the active site of NS5B polymerase using different computational approaches. The outputs of the molecular docking studies indicated the correct binding mode of the tested compounds against the active sites in target receptors, exhibiting good binding free energies. Interestingly, the change in the substitution at the ribose sugar was found to produce a mild effect on the binding mode. In detail, increasing the hydrophobicity of the substituted moieties resulted in a better binding affinity. Furthermore, in silico ADMET investigation implied the general drug likeness of the examined derivatives. Specifically, good oral absorptions, no BBB penetration, and no CYP4502D6 inhibitions were expected. Likely, the in silico toxicity studies against several animal models showed no carcinogenicity and high predicted TD50 values. The DFT studies exhibited a bioisosteric effect between the substituents at the 2′-position and the possible steric clash between 2′-substituted nucleoside analogs and the active site in the target enzyme. Finally, compound 6 was subjected to several molecular dynamics (MD) simulations and MM-PBSA studies to examine the protein-ligand dynamic and energetic stability. Full article
(This article belongs to the Special Issue Eco-Friendly Materials and Their Applications)
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