Journal Description
Molecules
Molecules
is the leading international, peer-reviewed, open access journal of chemistry. Molecules is published semimonthly online by MDPI. The International Society of Nucleosides, Nucleotides & Nucleic Acids (IS3NA), the Spanish Society of Medicinal Chemistry (SEQT) and the International Society of Heterocyclic Chemistry (ISHC) are affiliated with Molecules and their members receive a discount on the article processing charges.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, SCIE (Web of Science), PubMed, MEDLINE, PMC, Reaxys, CaPlus / SciFinder, MarinLit, AGRIS, and other databases.
- Journal Rank: JCR - Q2 (Chemistry, Multidisciplinary) / CiteScore - Q1 (Chemistry (miscellaneous))
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 14.6 days after submission; acceptance to publication is undertaken in 2.7 days (median values for papers published in this journal in the second half of 2023).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
- Sections: published in 26 topical sections.
- Testimonials: See what our editors and authors say about Molecules.
- Companion journals for Molecules include: Foundations and Photochem.
Impact Factor:
4.6 (2022);
5-Year Impact Factor:
4.9 (2022)
Latest Articles
Anticancer Activity and Molecular Mechanisms of Acetylated and Methylated Quercetin in Human Breast Cancer Cells
Molecules 2024, 29(10), 2408; https://doi.org/10.3390/molecules29102408 (registering DOI) - 20 May 2024
Abstract
Quercetin, a flavonoid polyphenol found in many plants, has garnered significant attention due to its potential cancer chemoprevention. Our previous studies have shown that acetyl modification of the hydroxyl group of quercetin altered its antitumor effects in HepG2 cells. However, the antitumor effect
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Quercetin, a flavonoid polyphenol found in many plants, has garnered significant attention due to its potential cancer chemoprevention. Our previous studies have shown that acetyl modification of the hydroxyl group of quercetin altered its antitumor effects in HepG2 cells. However, the antitumor effect in other cancer cells with different gene mutants remains unknown. In this study, we investigated the antitumor effect of quercetin and its methylated derivative 3,3′,4′,7-O-tetramethylquercetin (4Me-Q) and acetylated derivative 3,3′,4′,7-O-tetraacetylquercetin (4Ac-Q) on two human breast cancer cells, MCF-7 (wt-p53, caspase-3-ve) and MDA-MB-231 (mt-p53, caspase-3+ve). The results demonstrated that 4Ac-Q exhibited significant cell proliferation inhibition and apoptosis induction in both MCF-7 and MDA-MB-231 cells. Conversely, methylation of quercetin was found to lose the activity. The human apoptosis antibody array revealed that 4Ac-Q might induce apoptosis in MCF-7 cells via a p53-dependent pathway, while in MDA-MB-231 cells, it was induced via a caspase-3-dependent pathway. Furthermore, an evaluation using a superoxide inhibitor, MnTBAP, revealed 4Ac-Q-induced apoptosis in MCF-7 cells in a superoxide-independent manner. These findings provide valuable insights into the potential of acetylated quercetin as a new approach in cancer chemoprevention and offer new avenues for health product development.
Full article
(This article belongs to the Special Issue Probing Pharmacological and Biological Performance of Synthetic and Natural Compounds—2nd Edition)
Open AccessArticle
Protic Processes in an Extended Pyrazinacene: The Case of Dihydrotetradecaazaheptacene
by
Aël Cador, Samia Kahlal, Gary J. Richards, Jean-François Halet and Jonathan P. Hill
Molecules 2024, 29(10), 2407; https://doi.org/10.3390/molecules29102407 - 20 May 2024
Abstract
Pyrazinacenes are linearly fused heteroaromatic rings, with N atoms replacing all apical CH moieties. Component rings may exist in a reduced state, having NH groups instead of N, causing cross-conjugation. These compounds have interesting optical and electronic properties, including strong fluorescence in the
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Pyrazinacenes are linearly fused heteroaromatic rings, with N atoms replacing all apical CH moieties. Component rings may exist in a reduced state, having NH groups instead of N, causing cross-conjugation. These compounds have interesting optical and electronic properties, including strong fluorescence in the near-infrared region and photocatalytic properties, leading to diverse possible applications in bio-imaging and organic synthesis, as well as obvious molecular electronic uses. In this study, we investigated the behavior of seven-ring pyrazinacene 2,3,11,12-tetraphenyl-7,16-dihydro-1,4,5,6,7,8,9,12,13,14,15,16,17,18-tetradecaazaheptacene (Ph4H2N14HEPT), with an emphasis on protic processes, including oxidation, tautomerism, deprotonation, and protonation, and the species resulting from those processes. We used computational methods to optimize the structures of the different species and generate/compare molecular orbital structures. The aromaticity of the species generated by the different processes was assessed using the nucleus-independent chemical shifts, and trends in the values were associated with the different transformations of the pyrazinacene core. The computational data were compared with experimental data obtained from synthetic samples of the molecule tBu8Ph4H2N14HEPT.
Full article
(This article belongs to the Special Issue Fused-Nitrogen-Containing Heterocycles (Second Edition))
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Open AccessArticle
Computational Predictive and Electrochemical Detection of Metabolites (CP-EDM) of Piperine
by
Ridho Asra, Ana P. R. Povinelli, Gabriel Zazeri and Alan M. Jones
Molecules 2024, 29(10), 2406; https://doi.org/10.3390/molecules29102406 - 20 May 2024
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In this article, we introduce a proof-of-concept strategy, Computational Predictive and Electrochemical Detection of Metabolites (CP-EDM), to expedite the discovery of drug metabolites. The use of a bioactive natural product, piperine, that has a well-curated metabolite profile but an unpredictable computational metabolism (Biotransformer
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In this article, we introduce a proof-of-concept strategy, Computational Predictive and Electrochemical Detection of Metabolites (CP-EDM), to expedite the discovery of drug metabolites. The use of a bioactive natural product, piperine, that has a well-curated metabolite profile but an unpredictable computational metabolism (Biotransformer v3.0) was selected. We developed an electrochemical reaction to oxidize piperine into a range of metabolites, which were detected by LC-MS. A series of chemically plausible metabolites were predicted based on ion fragmentation patterns. These metabolites were docked into the active site of CYP3A4 using Autodock4.2. From the clustered low-energy profile of piperine in the active site, it can be inferred that the most likely metabolic position of piperine (based on intermolecular distances to the Fe-oxo active site) is the benzo[d][1,3]dioxole motif. The metabolic profile was confirmed by comparison with the literature, and the electrochemical reaction delivered plausible metabolites, vide infra, thus, demonstrating the power of the hyphenated technique of tandem electrochemical detection and computational evaluation of binding poses. Taken together, we outline a novel approach where diverse data sources are combined to predict and confirm a metabolic outcome for a bioactive structure.
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Open AccessArticle
Efficient Removal of Nickel from Wastewater Using Copper Sulfate–Ammonia Complex Modified Activated Carbon: Adsorption Performance and Mechanism
by
Yifei Wang, Xiaoxiao Yan, Yidi Zhang, Xiaoxin Qin, Xubiao Yu, Li Jiang and Bing Li
Molecules 2024, 29(10), 2405; https://doi.org/10.3390/molecules29102405 - 20 May 2024
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The necessity to eliminate nickel (Ni) from wastewater stems from its environmental and health hazards. To enhance the Ni adsorption capacity, this research applied a copper sulfate–ammonia complex (tetraamminecopper (II) sulfate monohydrate, [Cu(NH3)4]SO4·H2O) as a
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The necessity to eliminate nickel (Ni) from wastewater stems from its environmental and health hazards. To enhance the Ni adsorption capacity, this research applied a copper sulfate–ammonia complex (tetraamminecopper (II) sulfate monohydrate, [Cu(NH3)4]SO4·H2O) as a modifying agent for a Phragmites australis-based activated carbon preparation. The physiochemical properties of powdered activated carbon (PAC) and a modified form ([Cu(NH3)4]-PAC) were examined by measuring their surface areas, analyzing their elemental composition, and using Boehm’s titration method. Batch experiments were conducted to investigate the impact of various factors, such as Ni(II) concentration, contact time, pH, and ionic strength, on its substance adsorption capabilities. Additionally, the adsorption mechanisms of Ni(II) onto activated carbon were elucidated via Fourier-transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS). The findings indicated that modified activated carbon ([Cu(NH3)4]-PAC) exhibited a lower surface area and total volume than the original activated carbon (PAC). The modification of PAC enhanced its surface’s relative oxygen and nitrogen content, indicating the incorporation of functional groups containing these elements. Furthermore, the modified activated carbon, [Cu(NH3)4]-PAC, exhibited superior adsorption capacity relative to unmodified PAC. Both adsorbents’ adsorption behaviors conformed to the Langmuir model and the pseudo-second-order kinetics model. The Ni(II) removal efficiency of PAC and [Cu(NH3)4]-PAC diminished progressively with rising ionic strength. Modified activated carbon [Cu(NH3)4]-PAC demonstrated notable pH buffering and adaptability. The adsorption mechanism for Ni(II) on activated carbon involves surface complexation, cation exchange, and electrostatic interaction. This research presents a cost-efficient preparation technique for preparing activated carbon with enhanced Ni(II) removal capabilities from wastewater and elucidates its underlying adsorption mechanisms.
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Open AccessArticle
Optimization of Biodiesel Production Process Using MoO3 Catalysts and Residual Oil: A Comprehensive Experimental 23 Study
by
Adriano Lima da Silva, Helder de Lucena Pereira, Herbet Bezerra Sales, Juliana Kelly Dionízio, Mary Cristina Ferreira Alves, Danyelle Garcia Guedes, Carlos Bruno Barreto Luna and Ana Cristina Figueiredo de Melo Costa
Molecules 2024, 29(10), 2404; https://doi.org/10.3390/molecules29102404 - 20 May 2024
Abstract
The study aimed to utilize MoO3 catalysts, produced on a pilot scale via combustion reaction, to produce biodiesel from residual oil. Optimization of the process was conducted using a 23 experimental design. Structural characterization of the catalysts was performed through X-ray
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The study aimed to utilize MoO3 catalysts, produced on a pilot scale via combustion reaction, to produce biodiesel from residual oil. Optimization of the process was conducted using a 23 experimental design. Structural characterization of the catalysts was performed through X-ray diffraction, fluorescence, Raman spectroscopy, and particle size distribution analyses. At the same time, thermal properties were examined via thermogravimetry and differential thermal analysis. Catalytic performance was assessed following process optimization. α-MoO3 exhibited a monophasic structure with orthorhombic phase, whereas α/h-MoO3 showed a biphasic structure. α-MoO3 had a larger crystallite size and higher crystallinity, with thermal stability observed up to certain temperatures. X-ray fluorescence confirmed molybdenum oxide predominance in the catalysts, with traces of iron oxide. Particle size distribution analyses revealed polymodal distributions attributed to structural differences. Both catalysts demonstrated activity under all conditions tested, with ester conversions ranging from 93% to 99%. The single-phase catalyst had a long life cycle and was reusable for six biodiesel production cycles. The experimental design proved to be predictive and significant, with the type of catalyst being the most influential variable. Optimal conditions included α-MoO3 catalyst, oil/alcohol ratio of 1/15, and a reaction time of 60 min, resulting in high biodiesel conversion rates and showcasing the viability of MoO3 catalysts in residual oil biodiesel production.
Full article
(This article belongs to the Special Issue Catalysts: New Materials for Green Chemistry)
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Open AccessArticle
Conyza canadensis from Jordan: Phytochemical Profiling, Antioxidant, and Antimicrobial Activity Evaluation
by
Lina M. Barhoumi, Ashok K. Shakya, O’la Al-Fawares and Hala I. Al-Jaber
Molecules 2024, 29(10), 2403; https://doi.org/10.3390/molecules29102403 - 20 May 2024
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In this investigation, the chemical composition of the hydro-distilled essential oil (HD-EO), obtained from the fresh aerial parts (inflorescence heads (Inf), leaves (L), and stems (St)) of Conyza canadensis growing wild in Jordan was determined by GC/MS. Additionally, the methanolic extract obtained from
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In this investigation, the chemical composition of the hydro-distilled essential oil (HD-EO), obtained from the fresh aerial parts (inflorescence heads (Inf), leaves (L), and stems (St)) of Conyza canadensis growing wild in Jordan was determined by GC/MS. Additionally, the methanolic extract obtained from the whole aerial parts of C. canadensis (CCM) was examined for its total phenolic content (TPC), total flavonoids content (TFC), DPPH radical scavenging activity, iron chelating activity and was then analyzed with LC-MS/MS for the presence of certain selected phenolic compounds and flavonoids. The GC/MS analysis of CCHD-EOs obtained from the different aerial parts revealed the presence of (2E, 8Z)-matricaria ester as the main component, amounting to 15.4% (Inf), 60.7% (L), and 31.6% (St) of the total content. Oxygenated monoterpenes were the main class of volatile compounds detected in the Inf-CCHD-EO. However, oils obtained from the leaves and stems were rich in polyacetylene derivatives. The evaluation of the CCM extract showed a richness in phenolic content (95.59 ± 0.40 mg GAE/g extract), flavonoids contents (467.0 ± 10.5 mg QE/ g extract), moderate DPPH radical scavenging power (IC50 of 23.75 ± 0.86 µg/mL) and low iron chelating activity (IC50 = 5396.07 ± 15.05 µg/mL). The LC-MS/MS profiling of the CCM extract allowed for the detection of twenty-five phenolic compounds and flavonoids. Results revealed that the CCM extract contained high concentration levels of rosmarinic acid (1441.1 mg/kg plant), in addition to caffeic acid phenethyl ester (231.8 mg/kg plant). An antimicrobial activity assessment of the CCM extract against a set of Gram-positive and Gram-negative bacteria, in addition to two other fungal species including Candida and Cryptococcus, showed significant antibacterial activity of the extract against S. aureus with MIC value of 3.125 µg/mL. The current study is the first phytochemical screening for the essential oil and methanolic extract composition of C. canadensis growing in Jordan, its antioxidant and antimicrobial activity.
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Open AccessPerspective
Molecular and Therapeutic Roles of Non-Coding RNAs in Oral Cancer—A Review
by
Vidhya Rekha Umapathy, Prabhu Manickam Natarajan and Bhuminathan Swamikannu
Molecules 2024, 29(10), 2402; https://doi.org/10.3390/molecules29102402 - 20 May 2024
Abstract
Oral cancer (OC) is among the most common malignancies in the world. Despite advances in therapy, the worst-case scenario for OC remains metastasis, with a 50% survival rate. Therefore, it is critical to comprehend the pathophysiology of the condition and to create diagnostic
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Oral cancer (OC) is among the most common malignancies in the world. Despite advances in therapy, the worst-case scenario for OC remains metastasis, with a 50% survival rate. Therefore, it is critical to comprehend the pathophysiology of the condition and to create diagnostic and treatment plans for OC. The development of high-throughput genome sequencing has revealed that over 90% of the human genome encodes non-coding transcripts, or transcripts that do not code for any proteins. This paper describes the function of these different kinds of non-coding RNAs (ncRNAs) in OC as well as their intriguing therapeutic potential. The onset and development of OC, as well as treatment resistance, are linked to dysregulated ncRNA expression. These ncRNAs’ potentially significant roles in diagnosis and prognosis have been suggested by their differing expression in blood or saliva. We have outlined every promising feature of ncRNAs in the treatment of OC in this study.
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(This article belongs to the Section Medicinal Chemistry)
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Open AccessReview
A Review of Sisal Fiber-Reinforced Geopolymers: Preparation, Microstructure, and Mechanical Properties
by
Wenbo Qu, Bowen Niu, Chun Lv and Jie Liu
Molecules 2024, 29(10), 2401; https://doi.org/10.3390/molecules29102401 - 20 May 2024
Abstract
The early strength of geopolymers (GPs) and their composites is higher, and the hardening speed is faster than that of ordinary cementitious materials. Due to their wide source of raw materials, low energy consumption in the production process, and lower emissions of pollutants,
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The early strength of geopolymers (GPs) and their composites is higher, and the hardening speed is faster than that of ordinary cementitious materials. Due to their wide source of raw materials, low energy consumption in the production process, and lower emissions of pollutants, they are considered to have the most potential to replace ordinary Portland cement. However, similar to other inorganic materials, the GPs themselves have weak flexural and tensile strength and are sensitive to micro-cracks. Improving the toughness of GP materials can be achieved by adding an appropriate amount of fiber materials into the matrix. The use of discrete staple fibers shows great potential in improving the toughness of GPs. Sisal is a natural fiber that is reproducible and easy to obtain. Due to its good mechanical properties, low cost, and low carbon energy usage, sisal fiber (SF) is a GP composite reinforcement with potential development. In this paper, the research progress on the effect of SF on the properties of GP composites in recent decades is reviewed. It mainly includes the chemical composition and physical properties of SFs, the preparation technology of sisal-reinforced geopolymers (SFRGs), the microstructure analysis of the interface of SFs and the GP matrix, and the macroscopic mechanical properties of SFRGs. The properties of SFs make them have good bonding properties with the GP matrix. The addition of SFs can improve the flexural strength and tensile strength of GP composites, and SFRGs have good engineering application prospects.
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(This article belongs to the Section Macromolecular Chemistry)
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Open AccessArticle
Antiproliferative and Pro-Apoptotic Activity and Tubulin Dynamics Modulation of 1H-Benzimidazol-2-yl Hydrazones in Human Breast Cancer Cell Line MDA-MB-231
by
Denitsa Yancheva, Maria Argirova, Irina Georgieva, Vanya Milanova, Maya Guncheva, Miroslav Rangelov, Nadezhda Todorova and Rumiana Tzoneva
Molecules 2024, 29(10), 2400; https://doi.org/10.3390/molecules29102400 - 20 May 2024
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(1) Background: The aim of the work is the evaluation of in vitro antiproliferative and pro-apoptotic activity of four benzimidazole derivatives containing colchicine-like and catechol-like moieties with methyl group substitution in the benzimidazole ring against highly invasive breast cancer cell line MDA-MB-231 and
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(1) Background: The aim of the work is the evaluation of in vitro antiproliferative and pro-apoptotic activity of four benzimidazole derivatives containing colchicine-like and catechol-like moieties with methyl group substitution in the benzimidazole ring against highly invasive breast cancer cell line MDA-MB-231 and their related impairment of tubulin dynamics. (2) Methods: The antiproliferative activity was assessed with the MTT assay. Alterations in tubulin polymerization were evaluated with an in vitro tubulin polymerization assay and a docking analysis. (3) Results: All derivatives showed time-dependent cytotoxicity with IC50 varying from 40 to 60 μM after 48 h and between 13 and 20 μM after 72 h. Immunofluorescent and DAPI staining revealed the pro-apoptotic potential of benzimidazole derivatives and their effect on tubulin dynamics in living cells. Compound 5d prevented tubulin aggregation and blocked mitosis, highlighting the importance of the methyl group and the colchicine-like fragment. (4) Conclusions: The benzimidazole derivatives demonstrated moderate cytotoxicity towards MDA-MB-231 by retarding the initial phase of tubulin polymerization. The derivative 5d containing a colchicine-like moiety and methyl group substitution in the benzimidazole ring showed potential as an antiproliferative agent and microtubule destabilizer by facilitating faster microtubule aggregation and disrupting cellular and nuclear integrity.
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Open AccessArticle
Study on Quality Characteristic of Chebulae Fructus and Its Adulterants and Degradation Pathway of Hydrolyzable Tannins
by
Jian Xu, Xiangdong Wang, Huijuan Yu, Xin Chai, Min Zhang, Hong-Hua Wu and Yuefei Wang
Molecules 2024, 29(10), 2399; https://doi.org/10.3390/molecules29102399 - 20 May 2024
Abstract
Chebulae Fructus (CF) is known as one of the richest sources of hydrolyzable tannins (HTs). In this study, ultra-performance liquid chromatography coupled with a photodiode array detector method was established for simultaneous determination of the 12 common phenolcarboxylic and tannic constituents (PTCs). Using
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Chebulae Fructus (CF) is known as one of the richest sources of hydrolyzable tannins (HTs). In this study, ultra-performance liquid chromatography coupled with a photodiode array detector method was established for simultaneous determination of the 12 common phenolcarboxylic and tannic constituents (PTCs). Using this method, quantitative analysis was accomplished in CF and other four adulterants, including Terminaliae Belliricae Fructus, Phyllanthi Fructus, Chebulae Fructus Immaturus, and Canarii Fructus. Based on a quantitative analysis of the focused compounds, discrimination of CF and other four adulterants was successfully accomplished by hierarchical cluster analysis and principal component analysis. Additionally, the total contents of the 12 compounds that we focused on in this study were unveiled as 148.86 mg/g, 96.14 mg/g, and 18.64 mg/g in exocarp, mesocarp, and endocarp and seed of CF, respectively, and PTCs were witnessed to be the most abundant in the exocarp of CF. Noticeably, the HTs (chebulagic acid, chebulanin acid, chebulinic acid, and punicalagin) were observed to be ultimately degraded to chebulic acid, gallic acid, and ellagic acid during sunlight-drying of the fresh fruits. As a result, our study indicated that CF and its adulterants could be distinguished by the observed 12 PTCs, which were mainly distributed in the exocarp of the fruits. The HTs were prone to degrade into the three simple phenolcarboxylic acids during drying or processing, allowing us to obtain a more comprehensive understanding of the PTCs, with great significance in the improved quality of CF and related products.
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(This article belongs to the Section Analytical Chemistry)
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Open AccessArticle
An N-Rich Polymer for the Selective Recovery of Gold from Wastewater
by
Haonan Dong, Ge Shang, Yi Zhang, Enrui Dai, Mingdong Shao, Chunfeng Chen, Hongxing He, Zhifeng Nie, Mingyang Xiong, Deren Miao and Sibiao Zhao
Molecules 2024, 29(10), 2398; https://doi.org/10.3390/molecules29102398 - 20 May 2024
Abstract
The recovery of valuable gold from wastewater is of great interest because of the widespread use of the precious metal in various fields and the pollution generated by gold-containing wastes in water. In this paper, a water-insoluble cross-linked adsorbent material (TE) based on
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The recovery of valuable gold from wastewater is of great interest because of the widespread use of the precious metal in various fields and the pollution generated by gold-containing wastes in water. In this paper, a water-insoluble cross-linked adsorbent material (TE) based on cyanuric chloride (TCT) and ethylenediamine (EDA) was designed and used for the adsorption of Au(III) from wastewater. It was found that TE showed extremely high selectivity (D = 49,213.46) and adsorption capacity (256.19 mg/g) for Au(III) under acidic conditions. The adsorption rate remained above 90% eVen after five adsorption–desorption cycles. The adsorption process followed the pseudo-first-order kinetic model and the Freundlich isotherm model, suggesting that physical adsorption with a multilayer molecular overlay dominates. Meanwhile, the adsorption mechanism was obtained by DFT calculation and XPS analysis, and the adsorption mechanism was mainly the electrostatic interaction and electron transfer between the protonated N atoms in the adsorbent (TE) and AuCl4−, which resulted in the redox reaction. The whole adsorption process was the result of the simultaneous action of physical and chemical adsorption. In conclusion, the adsorbent material TE shows great potential for gold adsorption and recovery.
Full article
(This article belongs to the Special Issue Recent Advances in Porous Materials)
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Open AccessReview
Opportunities, Challenges, and Scientific Progress in Hemp Crops
by
Kacper Piotr Kaminski, Julia Hoeng, Fernando Goffman, Walter K. Schlage and Diogo Latino
Molecules 2024, 29(10), 2397; https://doi.org/10.3390/molecules29102397 - 20 May 2024
Abstract
The resurgence of cannabis (Cannabis sativa L.) has been propelled by changes in the legal framework governing its cultivation and use, increased demand for hemp-derived products, and studies recognizing the industrial and health benefits of hemp. This has led to the creation
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The resurgence of cannabis (Cannabis sativa L.) has been propelled by changes in the legal framework governing its cultivation and use, increased demand for hemp-derived products, and studies recognizing the industrial and health benefits of hemp. This has led to the creation of novel high-cannabidiol, low-Δ9-tetrahydrocannabinol varieties, enabling hemp crop expansion worldwide. This review elucidates the recent implications for hemp cultivation in Europe, with a focus on the legislative impacts on the cultivation practices, prospective breeding efforts, and dynamic scientific landscape surrounding this crop. We also review the current cultivars’ cannabinoid composition of the European hemp market and its major differences with that of the United States.
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(This article belongs to the Special Issue Recent Advances in Cannabis and Hemp Research)
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Open AccessArticle
Novel 9-Methylanthracene Derivatives as p53 Activators for the Treatment of Glioblastoma Multiforme
by
Yuxin Feng, Yingjie Wang, Xiaoxue Li, Ziqiang Sun, Sihan Qiang, Hongbo Wang and Yi Liu
Molecules 2024, 29(10), 2396; https://doi.org/10.3390/molecules29102396 - 19 May 2024
Abstract
Glioblastoma multiforme, a highly aggressive and lethal brain tumor, is a substantial clinical challenge and a focus of increasing concern globally. Hematological toxicity and drug resistance of first-line drugs underscore the necessity for new anti-glioma drug development. Here, 43 anthracenyl skeleton compounds as
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Glioblastoma multiforme, a highly aggressive and lethal brain tumor, is a substantial clinical challenge and a focus of increasing concern globally. Hematological toxicity and drug resistance of first-line drugs underscore the necessity for new anti-glioma drug development. Here, 43 anthracenyl skeleton compounds as p53 activator XI-011 analogs were designed, synthesized, and evaluated for their cytotoxic effects. Five compounds (13d, 13e, 14a, 14b, and 14n) exhibited good anti-glioma activity against U87 cells, with IC50 values lower than 2 μM. Notably, 13e showed the best anti-glioma activity, with an IC50 value up to 0.53 μM, providing a promising lead compound for new anti-glioma drug development. Mechanistic analyses showed that 13e suppressed the MDM4 protein expression, upregulated the p53 protein level, and induced cell cycle arrest at G2/M phase and apoptosis based on Western blot and flow cytometry assays.
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(This article belongs to the Special Issue Anticancer Drug Discovery and Development II)
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Open AccessCommunication
Extraction of Dibenzyl Disulfide from Transformer Oils by Acidic Ionic Liquid
by
Lili Zhang, Pei Peng, Qian Pan, Fang Wan and Huaxin Zhang
Molecules 2024, 29(10), 2395; https://doi.org/10.3390/molecules29102395 - 19 May 2024
Abstract
Abstract: In recent years, dibenzyl disulfide (DBDS) in transformer oils has caused many transformer failures around the world, and its removal has attracted more attention. In this work, nine imidazolium-based ionic liquids (ILs) were applied as effective, green desulfurization extractants for DBDS-containing
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Abstract: In recent years, dibenzyl disulfide (DBDS) in transformer oils has caused many transformer failures around the world, and its removal has attracted more attention. In this work, nine imidazolium-based ionic liquids (ILs) were applied as effective, green desulfurization extractants for DBDS-containing transformer oil for the first time. The results show that the desulfurization ability of the ILs for DBDS followed the order of [BMIM]FeCl4 > [BMIM]N(CN)2 > [BMIM]SCN > [BMIM](C4H9O)2PO2 > [BMIM]MeSO4 > [BMIM]NTf2 > [BMIM]OTf > [BMIM]PF6 > [BMIM]BF4. Especially, [BMIM]FeCl4 ionic liquid had excellent removal efficiency for DBDS, with its S partition coefficient KN (S) being up to 2642, which was much higher than the other eight imidazolium-based ILs. Moreover, the extractive performance of [BMIM]FeCl4 increased with an increasing molar ratio of FeCl3 to [BMIM]Cl, which was attributed to its Lewis acidity and fluidity. [BMIM]FeCl4 ionic liquid could also avail in the desulfurization of diphenyl sulfide (DPS) from model oils. The experimental results demonstrate that π−π action, π-complexation, and Lewis acid−base interaction played important roles in the desulfurization process. Finally, the ([BMIM]FeCl4) ionic liquid could be recycled five times without a significant decrease in extractive ability.
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Open AccessReview
Bioactive Compounds from Medicinal Plants as Potential Adjuvants in the Treatment of Mild Acne Vulgaris
by
Mariateresa Cristani and Nicola Micale
Molecules 2024, 29(10), 2394; https://doi.org/10.3390/molecules29102394 - 19 May 2024
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In recent years, there has been a growing interest in the use of medicinal plants and phytochemicals as potential treatments for acne vulgaris. This condition, characterized by chronic inflammation, predominantly affects adolescents and young adults. Conventional treatment typically targets the key factors contributing
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In recent years, there has been a growing interest in the use of medicinal plants and phytochemicals as potential treatments for acne vulgaris. This condition, characterized by chronic inflammation, predominantly affects adolescents and young adults. Conventional treatment typically targets the key factors contributing to its development: the proliferation of Cutibacterium acnes and the associated inflammation. However, these treatments often involve the use of potent drugs. As a result, the exploration of herbal medicine as a complementary approach has emerged as a promising strategy. By harnessing the therapeutic properties of medicinal plants and phytochemicals, it may be possible to address acne vulgaris while minimizing the reliance on strong drugs. This approach not only offers potential benefits for individuals seeking alternative treatments but also underscores the importance of natural remedies of plant origin in dermatological care. The primary aim of this study was to assess the antimicrobial, antioxidant, and anti-inflammatory properties of plants and their phytochemical constituents in the management of mild acne vulgaris. A comprehensive search of scientific databases was conducted from 2018 to September 2023. The findings of this review suggest that medicinal plants and their phytochemical components hold promise as treatments for mild acne vulgaris. However, it is crucial to note that further research employing high-quality evidence and standardized methodologies is essential to substantiate their efficacy and safety profiles.
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Open AccessReview
Recent Advancements in Metallic Au- and Ag-Based Chitosan Nanocomposite Derivatives for Enhanced Anticancer Drug Delivery
by
Mahmoud A. El-Meligy, Eman M. Abd El-Monaem, Abdelazeem S. Eltaweil, Mohamed S. Mohy-Eldin, Zyta M. Ziora, Abolfazl Heydari and Ahmed M. Omer
Molecules 2024, 29(10), 2393; https://doi.org/10.3390/molecules29102393 - 19 May 2024
Abstract
The rapid advancements in nanotechnology in the field of nanomedicine have the potential to significantly enhance therapeutic strategies for cancer treatment. There is considerable promise for enhancing the efficacy of cancer therapy through the manufacture of innovative nanocomposite materials. Metallic nanoparticles have been
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The rapid advancements in nanotechnology in the field of nanomedicine have the potential to significantly enhance therapeutic strategies for cancer treatment. There is considerable promise for enhancing the efficacy of cancer therapy through the manufacture of innovative nanocomposite materials. Metallic nanoparticles have been found to enhance the release of anticancer medications that are loaded onto them, resulting in a sustained release, hence reducing the dosage required for drug administration and preventing their buildup in healthy cells. The combination of nanotechnology with biocompatible materials offers new prospects for the development of advanced therapies that exhibit enhanced selectivity, reduced adverse effects, and improved patient outcomes. Chitosan (CS), a polysaccharide possessing distinct physicochemical properties, exhibits favorable attributes for controlled drug delivery due to its biocompatibility and biodegradability. Chitosan nanocomposites exhibit heightened stability, improved biocompatibility, and prolonged release characteristics for anticancer medicines. The incorporation of gold (Au) nanoparticles into the chitosan nanocomposite results in the manifestation of photothermal characteristics, whereas the inclusion of silver (Ag) nanoparticles boosts the antibacterial capabilities of the synthesized nanocomposite. The objective of this review is to investigate the recent progress in the utilization of Ag and Au nanoparticles, or a combination thereof, within a chitosan matrix or its modified derivatives for the purpose of anticancer drug delivery. The research findings for the potential of a chitosan nanocomposite to deliver various anticancer drugs, such as doxorubicin, 5-Fluroacil, curcumin, paclitaxel, and 6-mercaptopurine, were investigated. Moreover, various modifications carried out on the chitosan matrix phase and the nanocomposite surfaces to enhance targeting selectivity, loading efficiency, and pH sensitivity were highlighted. In addition, challenges and perspectives that could motivate further research related to the applications of chitosan nanocomposites in cancer therapy were summarized.
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(This article belongs to the Special Issue Nanomaterials for Advanced Biomedical Applications, 2nd Edition)
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Open AccessArticle
IrO2 Oxygen Evolution Catalysts Prepared by an Optimized Photodeposition Process on TiO2 Substrates
by
Angeliki Banti, Christina Zafeiridou, Michail Charalampakis, Olga-Niki Spyridou, Jenia Georgieva, Vasileios Binas, Efrosyni Mitrousi and Sotiris Sotiropoulos
Molecules 2024, 29(10), 2392; https://doi.org/10.3390/molecules29102392 - 19 May 2024
Abstract
Preparing high-performance oxygen evolution reaction (OER) catalysts with low precious metal loadings for water electrolysis applications (e.g., for green hydrogen production) is challenging and requires electrically conductive, high-surface-area, and stable support materials. Combining the properties of stable TiO2 with those of active
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Preparing high-performance oxygen evolution reaction (OER) catalysts with low precious metal loadings for water electrolysis applications (e.g., for green hydrogen production) is challenging and requires electrically conductive, high-surface-area, and stable support materials. Combining the properties of stable TiO2 with those of active iridium oxide, we synthesized highly active electrodes for OER in acidic media. TiO2 powders (both commercially available Degussa P-25® and hydrothermally prepared in the laboratory from TiOSO4, either as received/prepared or following ammonolysis to be converted to titania black), were decorated with IrO2 by UV photodeposition from Ir(III) aqueous solutions of varied methanol scavenger concentrations. TEM, EDS, FESEM, XPS, and XRD measurements demonstrate that the optimized version of the photodeposition preparation method (i.e., with no added methanol) leads to direct deposition of well-dispersed IrO2 nanoparticles. The electroactive surface area and electrocatalytic performance towards OER of these catalysts have been evaluated by cyclic voltammetry (CV), Linear Sweep Voltammetry (LSV), and Electrochemical Impedance Spectroscopy (EIS) in 0.1 M HClO4 solutions. All TiO2-based catalysts exhibited better mass-specific (as well as intrinsic) OER activity than commercial unsupported IrO2, with the best of them (IrO2 on Degussa P-25® ΤiO2 and laboratory-made TiO2 black) showing 100 mAmgIr−1 at an overpotential of η = 243 mV. Chronoamperometry (CA) experiments also proved good medium-term stability of the optimum IrO2/TiO2 electrodes during OER.
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(This article belongs to the Special Issue Editorial Board Members’ Collection Series: Nanomaterials for Electrochemical Energy Production and Storage)
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The Preparation and Contact Drying Performance of Encapsulated Microspherical Composite Sorbents Based on Fly Ash Cenospheres
by
Elena V. Fomenko, Natalia N. Anshits, Leonid A. Solovyov, Vasily F. Shabanov and Alexander G. Anshits
Molecules 2024, 29(10), 2391; https://doi.org/10.3390/molecules29102391 - 19 May 2024
Abstract
Sorption technologies are essential for various industries because they provide product quality and process efficiency. New encapsulated microspherical composite sorbents have been developed for resource-saving contact drying of thermolabile materials, particularly grain and seeds of crops. Magnesium sulfate, known for its high water
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Sorption technologies are essential for various industries because they provide product quality and process efficiency. New encapsulated microspherical composite sorbents have been developed for resource-saving contact drying of thermolabile materials, particularly grain and seeds of crops. Magnesium sulfate, known for its high water capacity, fast sorption kinetics, and easy regeneration, was used as an active moisture sorption component. To localize the active component, porous carriers with an accessible internal volume and a perforated glass–crystalline shell were used. These carriers were created by acid etching of cenospheres with different structures isolated from fly ash. The amount of magnesium sulfate included in the internal volume of the microspherical carrier was 38 wt % for cenospheres with ring structures and 26 wt % for cenospheres with network structures. Studies of the moisture sorption properties of composite sorbents on wheat seeds have shown that after 4 h of contact drying the moisture content of wheat decreases from 22.5 to 14.9–15.5 wt %. Wheat seed germination after sorption drying was 95 ± 2%. The advantage of composite sorbents is the encapsulation of the desiccant in the inner volume of perforated cenospheres, which prevents its entrainment and contamination and provides easy separation and stable sorption capacity in several cycles.
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(This article belongs to the Section Materials Chemistry)
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Synthesis of Fluorinated Nucleosides/Nucleotides and Their Antiviral Properties
by
Yugandhar Kothapalli, Ransom A. Jones, Chung K. Chu and Uma S. Singh
Molecules 2024, 29(10), 2390; https://doi.org/10.3390/molecules29102390 - 19 May 2024
Abstract
The FDA has approved several drugs based on the fluorinated nucleoside pharmacophore, and numerous drugs are currently in clinical trials. Fluorine-containing nucleos(t)ides offer significant antiviral and anticancer activity. The insertion of a fluorine atom, either in the base or sugar of nucleos(t)ides, alters
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The FDA has approved several drugs based on the fluorinated nucleoside pharmacophore, and numerous drugs are currently in clinical trials. Fluorine-containing nucleos(t)ides offer significant antiviral and anticancer activity. The insertion of a fluorine atom, either in the base or sugar of nucleos(t)ides, alters its electronic and steric parameters and transforms the lipophilicity, pharmacodynamic, and pharmacokinetic properties of these moieties. The fluorine atom restricts the oxidative metabolism of drugs and provides enzymatic metabolic stability towards the glycosidic bond of the nucleos(t)ide. The incorporation of fluorine also demonstrates additional hydrogen bonding interactions in receptors with enhanced biological profiles. The present article discusses the synthetic methodology and antiviral activities of FDA-approved drugs and ongoing fluoro-containing nucleos(t)ide drug candidates in clinical trials.
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(This article belongs to the Special Issue Nucleoside and Nucleotide Analogues: Chemical Synthesis and Applications)
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A Squaramide-Based Organocatalyst as a Novel Versatile Chiral Solvating Agent for Carboxylic Acids
by
Fabio Spiaggia, Gloria Uccello Barretta, Anna Iuliano, Carlo Baldassari, Federica Aiello and Federica Balzano
Molecules 2024, 29(10), 2389; https://doi.org/10.3390/molecules29102389 - 19 May 2024
Abstract
A squaramide-based organocatalyst for asymmetric Michael reactions has been tested as a chiral solvating agent (CSA) for 26 carboxylic acids and camphorsulfonic acid, encompassing amino acid derivatives, mandelic acid, as well as some of its analogs, propionic acids like profens (ketoprofen and ibuprofen),
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A squaramide-based organocatalyst for asymmetric Michael reactions has been tested as a chiral solvating agent (CSA) for 26 carboxylic acids and camphorsulfonic acid, encompassing amino acid derivatives, mandelic acid, as well as some of its analogs, propionic acids like profens (ketoprofen and ibuprofen), butanoic acids and others. In many cases remarkably high enantiodifferentiations at 1H, 13C and 19F nuclei were observed. The interaction likely involves a proton transfer from the acidic substrates to the tertiary amine sites of the organocatalyst, thus allowing for pre-solubilization of the organocatalyst (when a chloroform solution of the substrate is employed) or the simultaneous solubilization of both the catalyst and the substrate. DOSY experiments were employed to evaluate whether the catalyst–substrate ionic adduct was a tight one or not. ROESY experiments were employed to investigate the role of the squaramide unit in the adduct formation. A mechanism of interaction was proposed in accordance with the literature data.
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(This article belongs to the Section Organic Chemistry)
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