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
Comparison of HPLC, HPTLC, and In Silico Lipophilicity Parameters Determined for 5-Heterocyclic 2-(2,4-Dihydroxyphenyl)-1,3,4-thiadiazoles
Molecules 2024, 29(11), 2478; https://doi.org/10.3390/molecules29112478 (registering DOI) - 24 May 2024
Abstract
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The 5-heterocyclic 2-(2,4-dihydroxyphenyl)-1,3,4-thiadiazoles were obtained as potential biologically active compounds. Lipophilicity is one of the most important physicochemical properties of compounds and was already taken into account during the drug candidates design and development. The lipophilicity of compounds was determined using the computational
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The 5-heterocyclic 2-(2,4-dihydroxyphenyl)-1,3,4-thiadiazoles were obtained as potential biologically active compounds. Lipophilicity is one of the most important physicochemical properties of compounds and was already taken into account during the drug candidates design and development. The lipophilicity of compounds was determined using the computational (log P) and chromatography (log kw, RMw) methods. The experimental ones included the reverse-phase column high performance liquid chromatography RP (HPLC) with C8, C18, phosphatidylcholine (IAM), and cholesterol stationary phases and the thin layer chromatography (RP-HPTLC) with C8 and C18 stationary phases and various organic modifiers under the isocratic conditions. Descriptive statistics, correlation, and PCA analyses were used to compare the obtained results. For lipophilicity estimation of the tested compounds by HPTLC, dioxane and MeOH seem to be particularly beneficial as organic modifiers. The chromatographic lipophilicity parameters log kw (RMw) were well correlated and highly redundant (85%) compared with those calculated. Most compounds possess lipophilicity parameters within the recommended range for drug candidates.
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Open AccessReview
Integrated Biorefinery for a Next-Generation Methanization Process Focusing on Volatile Fatty Acid Valorization: A Critical Review
by
Mohamed Koubaa
Molecules 2024, 29(11), 2477; https://doi.org/10.3390/molecules29112477 (registering DOI) - 24 May 2024
Abstract
This review addresses the critical issue of a rapidly increasing worldwide waste stream and the need for sustainable management. The paper proposes an integrated transformation toward a next-generation methanization process, which leads not only to treating waste but also to converting it into
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This review addresses the critical issue of a rapidly increasing worldwide waste stream and the need for sustainable management. The paper proposes an integrated transformation toward a next-generation methanization process, which leads not only to treating waste but also to converting it into higher value compounds and greener energy. Although the current and commonly used anaerobic digestion process is useful for biogas production, it presents limitations of resource exploitation and some negative environmental impacts. Focusing on the acidogenic stage in waste stream processing, the paper discusses the recent strategies to enhance the recovery of volatile fatty acids (VFAs). These acids serve as precursors for synthesizing a variety of biochemicals and biofuels, offering higher value products than solely energy recovery and soil fertilizers. Additionally, the importance of recycling the fermentation residues back into the biorefinery process is highlighted. This recycling not only generates additional VFAs but also contributes to generating clean energy, thereby enhancing the overall sustainability and efficiency of the waste management system. Moreover, the review discusses the necessity to integrate life cycle assessment (LCA) and techno-economic analysis (TEA) to evaluate the environmental impacts, sustainability, and processing costs of the proposed biorefinery.
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(This article belongs to the Section Green Chemistry)
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Open AccessArticle
Highly Sensitive Fluorescent Sensing for Nitrobenzene of CdII Complexes Based on Three Isomers and a Bis-Imidazole Ligand
by
Xue Yang, Wanting Liu, Yixia Ren, Xiufang Hou and Jinfeng Li
Molecules 2024, 29(11), 2475; https://doi.org/10.3390/molecules29112475 (registering DOI) - 24 May 2024
Abstract
Detection of nitro pollutants is an important topic in environmental protection. A total of 3 Cd (II) complexes (1–3) based on 3 soft organic isomers, n-(3,5-dicarboxylato benzyloxy) benzoic acid (n = 2, 3 or 4-H3DBB), and
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Detection of nitro pollutants is an important topic in environmental protection. A total of 3 Cd (II) complexes (1–3) based on 3 soft organic isomers, n-(3,5-dicarboxylato benzyloxy) benzoic acid (n = 2, 3 or 4-H3DBB), and a linear N-donor ligand, 3-bis(imidazole-l-ylmethyl) benzene (3-bibz), have been synthesized hydrothermally. Structural diversity of Complexes 1–3 displays the architectural 2D or 3D change: Complex 1 exhibits a 2D network featuring tri-nuclear metal units, Complex 2 is a 3D framework based on similar tri-nuclear metal units, and Complex 3 shows a 3D network with binuclear units. Fluorescent sensing properties exhibited in all these complexes have been discovered to detect nitrobenzene (NB) selectively and sensitively. In particular, Complex 3 possesses high sensitivity for NB with the lowest detection limit of 1.15 × 10−10 M. The results of the theoretical calculation verified the fluorescence detection mechanism of NB by these Cd-based complexes. Therefore, these Cd-based complexes might be used as excellent luminescent sensors for NB.
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(This article belongs to the Special Issue Metal Organic Frameworks: Synthesis and Application, 3rd Edition)
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Open AccessArticle
A NIR-Fluorochrome for Live Cell Dual Emission and Lifetime Tracking from the First Plasma Membrane Interaction to Subcellular and Extracellular Locales
by
Eden Booth, Massimiliano Garre, Dan Wu, Harrison C. Daly and Donal F. O’Shea
Molecules 2024, 29(11), 2474; https://doi.org/10.3390/molecules29112474 (registering DOI) - 24 May 2024
Abstract
Molecular probes with the ability to differentiate between subcellular variations in acidity levels remain important for the investigation of dynamic cellular processes and functions. In this context, a series of cyclic peptide and PEG bio-conjugated dual near-infrared emissive BF2-azadipyrromethene fluorophores with
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Molecular probes with the ability to differentiate between subcellular variations in acidity levels remain important for the investigation of dynamic cellular processes and functions. In this context, a series of cyclic peptide and PEG bio-conjugated dual near-infrared emissive BF2-azadipyrromethene fluorophores with maxima emissions at 720 nm (at pH > 6) and 790 nm (at pH < 5) have been developed and their aqueous solution photophysical properties determined. Their inter-converting emissions and fluorescence lifetime characteristics were exploited to track their spatial and temporal progression from first contact with the plasma membrane to subcellular locales to their release within extracellular vesicles. A pH-dependent reversible phenolate/phenol interconversion on the fluorophore controlled the dynamic changes in dual emission responses and corresponding lifetime changes. Live-cell confocal microscopy experiments in the metastatic breast cancer cell line MDA-MB-231 confirmed the usability of the dual emissive properties for imaging over prolonged periods. All three derivatives performed as probes capable of real-time continuous imaging of fundamental cellular processes such as plasma membrane interaction, tracking endocytosis, lysosomal/large acidic vesicle accumulation, and efflux within extracellular vesicles without perturbing cellular function. Furthermore, fluorescence lifetime imaging microscopy provided valuable insights regarding fluorophore progression through intracellular microenvironments over time. Overall, the unique photophysical properties of these fluorophores show excellent potential for their use as information-rich probes.
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(This article belongs to the Special Issue Design and Preparation of Organic Fluorescent Materials for Detection and Bio-Imaging)
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Open AccessArticle
Maclura cochinchinensis (Lour.) Corner Heartwood Extracts Containing Resveratrol and Oxyresveratrol Inhibit Melanogenesis in B16F10 Melanoma Cells
by
Worrawat Promden, Pithi Chanvorachote, Wittawat Viriyabancha, Siriluk Sintupachee and Wanchai De-Eknamkul
Molecules 2024, 29(11), 2473; https://doi.org/10.3390/molecules29112473 (registering DOI) - 24 May 2024
Abstract
This study aimed to isolate and purify resveratrol and oxyresveratrol from the heartwoods of Maclura cochinchinensis, and to evaluate their inhibitory effects on melanogenesis in B16F10 murine melanoma cells. A methanol maceration process yielded a crude extract comprising 24.86% of the initial
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This study aimed to isolate and purify resveratrol and oxyresveratrol from the heartwoods of Maclura cochinchinensis, and to evaluate their inhibitory effects on melanogenesis in B16F10 murine melanoma cells. A methanol maceration process yielded a crude extract comprising 24.86% of the initial mass, which was subsequently analyzed through HPTLC, HPLC, and LC-MS/MS. These analyses revealed the presence of resveratrol and oxyresveratrol at concentrations of 4.32 mg/g and 33.6 mg/g in the extract, respectively. Initial purification employing food-grade silica gel column chromatography separated the extract into two fractions: FA, exhibiting potent inhibition of both tyrosinase activity and melanogenesis, and FM, showing no such inhibitory activity. Further purification processes led to the isolation of fractions Y11 and Gn12 with enhanced concentrations of resveratrol (94.9 and 110.21 mg/g, respectively) and fractions Gn15 and Gn16 with elevated levels of oxyresveratrol (321.93 and 274.59 mg/g, respectively), all of which significantly reduced melanin synthesis. These outcomes affirm the substantial presence of resveratrol and oxyresveratrol in the heartwood of M. cochinchinensis, indicating their promising role as natural agents for skin lightening.
Full article
(This article belongs to the Special Issue Research on Polyphenolic Compounds from Nature Products: Extraction, Analysis and Biological Properties)
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Open AccessArticle
From Ethnobotany to Biotechnology: Wound Healing and Anti-Inflammatory Properties of Sedum telephium L. In Vitro Cultures
by
Vanessa Dalla Costa, Anna Piovan, Raffaella Filippini and Paola Brun
Molecules 2024, 29(11), 2472; https://doi.org/10.3390/molecules29112472 (registering DOI) - 24 May 2024
Abstract
Sedum telephium is a succulent plant used in traditional medicine, particularly in Italy, for its efficacy in treating localized inflammation such as burns, warts, and wounds. Fresh leaves or freshly obtained derivatives are directly applied to the injuries for these purposes. However, challenges
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Sedum telephium is a succulent plant used in traditional medicine, particularly in Italy, for its efficacy in treating localized inflammation such as burns, warts, and wounds. Fresh leaves or freshly obtained derivatives are directly applied to the injuries for these purposes. However, challenges such as the lack of microbiologically controlled materials and product standardization prompted the exploration of more controlled biotechnological alternatives, utilizing in vitro plant cell cultures of S. telephium. In the present study, we used HPLC-DAD analysis to reveal a characteristic flavonol profile in juices from in vivo leaves and in vitro materials mainly characterized by several kaempferol and quercetin derivatives. The leaf juice exhibited the highest content in total flavonol and kaempferol derivatives, whereas juice from callus grown in medium with hormones and callus suspensions showed elevated levels of quercetin derivatives. The in vitro anti-inflammatory and wound-healing assays evidenced the great potential of callus and suspension cultures in dampening inflammation and fostering wound closure, suggesting quercetin may have a pivotal role in biological activities.
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(This article belongs to the Special Issue Bioactivity of Natural Compounds: From Plants to Humans)
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Development of a Convenient and Quantitative Method for Evaluating Photosensitizing Activity Using Thiazolyl Blue Formazan Dye
by
Smee Kang, Yeong Ji Oh, Mi-Ri Kim, Yu Na Jung, Eiseul Song, Hyowon Lee and Jungil Hong
Molecules 2024, 29(11), 2471; https://doi.org/10.3390/molecules29112471 (registering DOI) - 24 May 2024
Abstract
Photosensitizers cause oxidative damages in various biological systems under light. In this study, the method for analyzing photosensitizing activity of various dietary and medicinal sources was developed using 1-(4,5-dimethylthiazol-2-yl)-3,5-diphenylformazan (thiazolyl blue formazan; MTT-F) as a probe. Significant and quantitative decolorization of MTT-F was
[...] Read more.
Photosensitizers cause oxidative damages in various biological systems under light. In this study, the method for analyzing photosensitizing activity of various dietary and medicinal sources was developed using 1-(4,5-dimethylthiazol-2-yl)-3,5-diphenylformazan (thiazolyl blue formazan; MTT-F) as a probe. Significant and quantitative decolorization of MTT-F was observed in the presence of photosensitizers used in this study under light but not under dark conditions. The decolorization of MTT-F occurred irradiation time-, light intensity-, and photosensitizer concentration-dependently. The decolorized MTT-F was reversibly reduced by living cells; the LC-MS/MS results indicated the formation of oxidized products with −1 m/z of base peak from MTT-F, suggesting that MTT-F decolorized by photosensitizers was its corresponding tetrazolium. The present results indicate that MTT-F is a reliable probe for the quantitative analysis of photosensitizing activities, and the MTT-F-based method can be an useful tool for screening and evaluating photosensitizing properties of various compounds used in many industrial purposes.
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(This article belongs to the Section Analytical Chemistry)
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Open AccessArticle
Effect of the Addition of WO3 on the Structure and Luminescent Properties of ZnO-B2O3:Eu3+ Glass
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Aneliya Yordanova, Lyubomir Aleksandrov, Margarita Milanova, Reni Iordanova, Petia Petrova and Nikolay Nedyalkov
Molecules 2024, 29(11), 2470; https://doi.org/10.3390/molecules29112470 (registering DOI) - 24 May 2024
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Glasses with the compositions in mol % of 50ZnO:(50 − x)B2O3:0.5Eu2O3:xWO3, x = 0, 1, 3, 5 and 10 were obtained by applying the melt-quenching method and investigated by Raman spectroscopy, DSC analysis
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Glasses with the compositions in mol % of 50ZnO:(50 − x)B2O3:0.5Eu2O3:xWO3, x = 0, 1, 3, 5 and 10 were obtained by applying the melt-quenching method and investigated by Raman spectroscopy, DSC analysis and photoluminescence (PL) spectroscopy. Raman spectra revealed that tungstate ions incorporate into the base zinc borate glass as tetrahedral [WO4]2− groups, and octahedral [WØ4O2]2− species with four bridging and two non-bridging oxygen atoms. There are also metaborate, [BØ2O]− and pyroborate units, [B2O5]4−, in the glass networks. The glasses are characterized by good transmission in the visible region, at about 80%. Photoluminescence (PL) spectra evidenced that WO3 is an appropriate constituent for the modification of zinc borate glass structure and for enhancing the Eu3+ luminescent intensity. The most intense luminescence peak observed, at 612 nm, suggests that the glasses are potential materials for red emission.
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Open AccessArticle
The Application of Ultrasmall Gold Nanoparticles (2 nm) Functionalized with Doxorubicin in Three-Dimensional Normal and Glioblastoma Organoid Models of the Blood–Brain Barrier
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Kathrin Kostka, Viktoriya Sokolova, Aya El-Taibany, Benedikt Kruse, Daniel Porada, Natalie Wolff, Oleg Prymak, Michael C. Seeds, Matthias Epple and Anthony J. Atala
Molecules 2024, 29(11), 2469; https://doi.org/10.3390/molecules29112469 (registering DOI) - 24 May 2024
Abstract
Among brain tumors, glioblastoma (GBM) is very challenging to treat as chemotherapeutic drugs can only penetrate the brain to a limited extent due to the blood–brain barrier (BBB). Nanoparticles can be an attractive solution for the treatment of GBM as they can transport
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Among brain tumors, glioblastoma (GBM) is very challenging to treat as chemotherapeutic drugs can only penetrate the brain to a limited extent due to the blood–brain barrier (BBB). Nanoparticles can be an attractive solution for the treatment of GBM as they can transport drugs across the BBB into the tumor. In this study, normal and GBM organoids comprising six brain cell types were developed and applied to study the uptake, BBB penetration, distribution, and efficacy of fluorescent, ultrasmall gold nanoparticles (AuTio-Dox-AF647s) conjugated with doxorubicin (Dox) and AlexaFluor-647-cadaverine (AF647) by confocal laser scanning microscopy (CLSM), using a mixture of dissolved doxorubicin and fluorescent AF647 molecules as a control. It was shown that the nanoparticles could easily penetrate the BBB and were found in normal and GBM organoids, while the dissolved Dox and AF647 molecules alone were unable to penetrate the BBB. Flow cytometry showed a reduction in glioblastoma cells after treatment with AuTio-Dox nanoparticles, as well as a higher uptake of these nanoparticles by GBM cells in the GBM model compared to astrocytes in the normal cell organoids. In summary, our results show that ultrasmall gold nanoparticles can serve as suitable carriers for the delivery of drugs into organoids to study BBB function.
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(This article belongs to the Special Issue Materials Chemistry in Europe)
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Open AccessReply
Reply to Rayman et al. Comment on “Ambra et al. Could Selenium Supplementation Prevent COVID-19? A Comprehensive Review of Available Studies. Molecules 2023, 28, 4130”
by
Roberto Ambra, Sahara Melloni and Eugenia Venneria
Molecules 2024, 29(11), 2468; https://doi.org/10.3390/molecules29112468 (registering DOI) - 24 May 2024
Abstract
We thank the Authors of the Comment (AC) [...]
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(This article belongs to the Special Issue Functional Foods and Dietary Bioactives in Human Health)
Open AccessArticle
Eliciting Polyphenols in Strawberry Leaves: Preliminary Experiments in Fragaria × ananassa cv. Festival
by
Karla Salas-Arias, Andrea Irías-Mata, Laura Sánchez-Calvo, María Fernanda Brenes-Zárate, Ana Abdelnour-Esquivel, Fabián Villalta-Romero and Laura A. Calvo-Castro
Molecules 2024, 29(11), 2467; https://doi.org/10.3390/molecules29112467 (registering DOI) - 24 May 2024
Abstract
Polyphenols are plant secondary metabolites that function mostly as a general stress-induced protective mechanism. Polyphenols have also gained interest due to their beneficial properties for human health. Strawberry leaves represent an agro-industrial waste material with relevant bioactive polyphenol content, which could be incorporated
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Polyphenols are plant secondary metabolites that function mostly as a general stress-induced protective mechanism. Polyphenols have also gained interest due to their beneficial properties for human health. Strawberry leaves represent an agro-industrial waste material with relevant bioactive polyphenol content, which could be incorporated into circular economy strategies. However, due to the low quantities of polyphenols in plants, their production needs to be improved for cost-effective applications. The objective of this research was to compare polyphenol production in strawberry (Fragaria × ananassa cv. Festival) leaves in plants grown in greenhouse conditions and plants grown in vitro, using three possible elicitor treatments (UV irradiation, cold exposure, and cysteine). General vegetative effects were morphologically evaluated, and specific polyphenolic compounds were quantified by UHPLC-DAD-MS/MS. Gallic acid was the most abundant polyphenol found in the leaves, both in vivo and in vitro. The results showed higher amounts and faster accumulation of polyphenols in the in vitro regenerated plants, highlighting the relevance of in vitro tissue culture strategies for producing compounds such as polyphenols in this species and cultivar.
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(This article belongs to the Special Issue Exploring Bioactive Polyphenolic Compounds in Food and Natural Real-World Samples II)
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Open AccessComment
Comment on Ambra et al. Could Selenium Supplementation Prevent COVID-19? A Comprehensive Review of Available Studies. Molecules 2023, 28, 4130
by
Margaret P. Rayman, Lutz Schomburg, Jinsong Zhang, Ethan Will Taylor, Gijs Du Laing, Melinda Beck, David J. Hughes and Raban Heller
Molecules 2024, 29(11), 2466; https://doi.org/10.3390/molecules29112466 (registering DOI) - 24 May 2024
Abstract
The authors of this Comment are longstanding selenium investigators with a total of 200 or more published articles on selenium; the corresponding author (Margaret P [...]
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(This article belongs to the Special Issue Functional Foods and Dietary Bioactives in Human Health)
Open AccessArticle
Anti-Obesity Activities of the Compounds from Perilla frutescens var. acuta and Chemical Profiling of the Extract
by
Isoo Youn, Donglan Piao, Jisu Park, Seung A Ock, Sujin Han, Ah-Reum Han, Sunhye Shin and Eun Kyoung Seo
Molecules 2024, 29(11), 2465; https://doi.org/10.3390/molecules29112465 (registering DOI) - 23 May 2024
Abstract
Perilla frutescens var. acuta (Lamiaceae) is widely used not only as an oil or a spice, but also as a traditional medicine to treat colds, coughs, fever, and indigestion. As an ongoing effort, luteolin-7-O-diglucuronide (1), apigenin-7-O-diglucuronide (
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Perilla frutescens var. acuta (Lamiaceae) is widely used not only as an oil or a spice, but also as a traditional medicine to treat colds, coughs, fever, and indigestion. As an ongoing effort, luteolin-7-O-diglucuronide (1), apigenin-7-O-diglucuronide (2), and rosmarinic acid (3) isolated from P. frutescens var. acuta were investigated for their anti-adipogenic and thermogenic activities in 3T3-L1 cells. Compound 1 exhibited a strong inhibition against adipocyte differentiation by suppressing the expression of Pparg and Cebpa over 52.0% and 45.0%, respectively. Moreover, 2 inhibited the expression of those genes in a dose-dependent manner [Pparg: 41.7% (5 µM), 62.0% (10 µM), and 81.6% (50 µM); Cebpa: 13.8% (5 µM), 18.4% (10 µM), and 37.2% (50 µM)]. On the other hand, the P. frutescens var. acuta water extract showed moderate thermogenic activities. Compounds 1 and 3 also induced thermogenesis in a dose-dependent manner by stimulating the mRNA expressions of Ucp1, Pgc1a, and Prdm16. Moreover, an LC-MS/MS chromatogram of the extract was acquired using UHPLC-MS2 and it was analyzed by feature-based molecular networking (FBMN) and the Progenesis QI software (version 3.0). The chemical profiling of the extract demonstrated that flavonoids and their glycoside derivatives, including those isolated earlier as well as rosmarinic acid, are present in P. frutescens var. acuta.
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(This article belongs to the Collection Bioactive Natural Molecules from Functional Foods)
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Open AccessCommunication
Equipment-Free Fabrication of Thiolated Reduced Graphene Oxide Langmuir–Blodgett Films: A Novel Approach for Versatile Surface Engineering
by
Injoo Hwang and Ki-Wan Jeon
Molecules 2024, 29(11), 2464; https://doi.org/10.3390/molecules29112464 - 23 May 2024
Abstract
This research presents a novel method for the fabrication of mercapto reduced graphene oxide (m-RGO) Langmuir–Blodgett (LB) films without the need for specialized equipment. The conventional LB technique offers precise control over the deposition of thin films onto solid substrates, but its reliance
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This research presents a novel method for the fabrication of mercapto reduced graphene oxide (m-RGO) Langmuir–Blodgett (LB) films without the need for specialized equipment. The conventional LB technique offers precise control over the deposition of thin films onto solid substrates, but its reliance on sophisticated instrumentation limits its accessibility. In this study, we demonstrate a simplified approach that circumvents the necessity for such equipment, thereby democratizing the production of m-RGO LB films. Thiolation of reduced graphene oxide (rGO) imparts enhanced stability and functionality to the resulting films, rendering them suitable for a wide range of applications in surface engineering, sensing, and catalysis. The fabricated m-RGO LB films exhibit favorable morphological, structural, and surface properties, as characterized by various analytical techniques including scanning electron microscopy (SEM), X-ray diffraction (XRD), and Fourier-transform infrared spectroscopy (FTIR). Furthermore, the performance of the m-RGO LB films is evaluated in terms of their surface wettability, electrochemical behavior, and chemical reactivity. The equipment-free fabrication approach presented herein offers a cost-effective and scalable route for the production of functionalized graphene-based thin films, thus broadening the scope for their utilization in diverse technological applications.
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(This article belongs to the Special Issue Graphene-Like 2D Materials)
Open AccessArticle
Effect of Different Selenium Species on Indole-3-Acetic Acid Activity of Selenium Nanoparticles Producing Strain Bacillus altitudinis LH18
by
Mengjun Li, Rui Yang, Nana Li, Siyang Zhao, Shiya Wei, Sishang Zhang, Jue Gong, Jie Song, Jun-Ran Kim, Yi He, Chao Gao, Zhangqian Wang and Shuiyuan Cheng
Molecules 2024, 29(11), 2463; https://doi.org/10.3390/molecules29112463 - 23 May 2024
Abstract
Acting as a growth regulator, Indole-3-acetic acid (IAA) is an important phytohormone that can be produced by several Bacillus species. However, few studies have been published on the comprehensive evaluation of the strains for practical applications and the effects of selenium species on
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Acting as a growth regulator, Indole-3-acetic acid (IAA) is an important phytohormone that can be produced by several Bacillus species. However, few studies have been published on the comprehensive evaluation of the strains for practical applications and the effects of selenium species on their IAA-producing ability. The present study showed the selenite reduction strain Bacillus altitudinis LH18, which is capable of producing selenium nanoparticles (SeNPs) at a high yield in a cost-effective manner. Bio-SeNPs were systematically characterized by using DLS, zeta potential, SEM, and FTIR. The results showed that these bio-SeNPs were small in particle size, homogeneously dispersed, and highly stable. Significantly, the IAA-producing ability of strain was differently affected under different selenium species. The addition of SeNPs and sodium selenite resulted in IAA contents of 221.7 µg/mL and 91.01 µg/mL, respectively, which were 3.23 and 1.33 times higher than that of the control. This study is the first to examine the influence of various selenium species on the IAA-producing capacity of Bacillus spp., providing a theoretical foundation for the enhancement of the IAA-production potential of microorganisms.
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(This article belongs to the Special Issue Nanomaterials or Polymer-Based Biomaterials: Chemical Synthesis and Applications)
Open AccessArticle
Three New Ionone Glycosides from Rhododendron capitatum Maxim
by
Jun-Ren Yang, Yue-Tong Zhu, Yi-Qin Zeng, Hong-Quan Li, Chun-Huan Li and Jin-Ming Gao
Molecules 2024, 29(11), 2462; https://doi.org/10.3390/molecules29112462 - 23 May 2024
Abstract
Six ionone glycosides (1–3 and 5–7), including three new ones, named capitsesqsides A−C (1–3), together with an eudesmane sesquiterpenoid glycoside (4) and three known triterpenoid saponins (8–10)
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Six ionone glycosides (1–3 and 5–7), including three new ones, named capitsesqsides A−C (1–3), together with an eudesmane sesquiterpenoid glycoside (4) and three known triterpenoid saponins (8–10) were isolated from Rhododendron capitatum. The structures of these compounds were determined by extensive spectroscopic techniques (MS, UV, 1D-NMR, and 2D-NMR) and comparison with data reported in the literature. The absolute configurations were determined by comparison of the experimental and theoretically calculated ECD curves and LC-MS analyses after acid hydrolysis and derivatization. The anti-inflammatory activities of these compounds were evaluated in the LPS-induced RAW264.7 cells. Molecular docking demonstrated that 2 has a favorable affinity for NLRP3 and iNOS.
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(This article belongs to the Special Issue Discovery, Isolation, and Mechanisms of Bioactive Natural Products)
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Open AccessArticle
Effective Synthesis of High-Integrity mRNA Using In Vitro Transcription
by
Wei He, Xinya Zhang, Yangxiaoyu Zou, Ji Li, Chong Wang, Yucai He, Qiuheng Jin and Jianren Ye
Molecules 2024, 29(11), 2461; https://doi.org/10.3390/molecules29112461 - 23 May 2024
Abstract
: mRNA vaccines are entering a period of rapid development. However, their synthesis is still plagued by challenges related to mRNA impurities and fragments (incomplete mRNA). Most impurities of mRNA products transcribed in vitro are mRNA fragments. Only full-length mRNA transcripts containing both
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: mRNA vaccines are entering a period of rapid development. However, their synthesis is still plagued by challenges related to mRNA impurities and fragments (incomplete mRNA). Most impurities of mRNA products transcribed in vitro are mRNA fragments. Only full-length mRNA transcripts containing both a 5′-cap and a 3′-poly(A) structure are viable for in vivo expression. Therefore, RNA fragments are the primary product-related impurities that significantly hinder mRNA efficacy and must be effectively controlled; these species are believed to originate from either mRNA hydrolysis or premature transcriptional termination. In the manufacturing of commercial mRNA vaccines, T7 RNA polymerase-catalyzed in vitro transcription (IVT) synthesis is a well-established method for synthesizing long RNA transcripts. This study identified a pivotal domain on the T7 RNA polymerase that is associated with erroneous mRNA release. By leveraging the advantageous properties of a T7 RNA polymerase mutant and precisely optimized IVT process parameters, we successfully achieved an mRNA integrity exceeding 91%, thereby further unlocking the immense potential of mRNA therapeutics.
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Open AccessArticle
In Vitro and In Silico Anti-Glioblastoma Activity of Hydroalcoholic Extracts of Artemisia annua L. and Artemisia vulgaris L.
by
Jurga Bernatoniene, Emilija Nemickaite, Daiva Majiene, Mindaugas Marksa and Dalia M. Kopustinskiene
Molecules 2024, 29(11), 2460; https://doi.org/10.3390/molecules29112460 - 23 May 2024
Abstract
Glioblastoma, the most aggressive and challenging brain tumor, is a key focus in neuro-oncology due to its rapid growth and poor prognosis. The C6 glioma cell line is often used as a glioblastoma model due to its close simulation of human glioma characteristics,
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Glioblastoma, the most aggressive and challenging brain tumor, is a key focus in neuro-oncology due to its rapid growth and poor prognosis. The C6 glioma cell line is often used as a glioblastoma model due to its close simulation of human glioma characteristics, including rapid expansion and invasiveness. Alongside, herbal medicine, particularly Artemisia spp., is gaining attention for its anticancer potential, offering mechanisms like apoptosis induction, cell cycle arrest, and the inhibition of angiogenesis. In this study, we optimized extraction conditions of polyphenols from Artemisia annua L. and Artemisia vulgaris L. herbs and investigated their anticancer effects in silico and in vitro. Molecular docking of the main phenolic compounds of A. annua and A. vulgaris and potential target proteins, including programmed cell death (apoptosis) pathway proteins proapoptotic Bax (PDB ID 6EB6), anti-apoptotic Bcl-2 (PDB ID G5M), and the necroptosis pathway protein (PDB ID 7MON), mixed lineage kinase domain-like protein (MLKL), in complex with receptor-interacting serine/threonine-protein kinase 3 (RIPK3), revealed the high probability of their interactions, highlighting the possible influence of chlorogenic acid in modulating necroptosis processes. The cell viability of rat C6 glioma cell line was assessed using a nuclear fluorescent double-staining assay with Hoechst 33342 and propidium iodide. The extracts from A. annua and A. vulgaris have demonstrated anticancer activity in the glioblastoma model, with the synergistic effects of their combined compounds surpassing the efficacy of any single compound. Our results suggest the potential of these extracts as a basis for developing more effective glioblastoma treatments, emphasizing the importance of further research into their mechanisms of action and therapeutic applications.
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(This article belongs to the Special Issue Bioactive Compounds for Brain Ischemia and Neurodegenerative Disease—Second Edition)
Open AccessArticle
Design, Synthesis and Biological Evaluation of Novel Ketamine Derivatives as NMDAR Antagonists
by
Shiyun Li, Bin Wen, Wei Zhao, Lulu Wang and Xingquan Chen
Molecules 2024, 29(11), 2459; https://doi.org/10.3390/molecules29112459 - 23 May 2024
Abstract
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Depression is a chronic, severe, and often life-threatening neurological disorder. It not only causes depression in patients and affects daily life but, in severe cases, may lead to suicidal behavior and have adverse effects on families and society. In recent years, it has
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Depression is a chronic, severe, and often life-threatening neurological disorder. It not only causes depression in patients and affects daily life but, in severe cases, may lead to suicidal behavior and have adverse effects on families and society. In recent years, it has been found that sub-anesthetic doses of ketamine have a rapid antidepressant effect on patients with treatment-resistant depression and can significantly reduce the suicidal tendencies of patients with major depressive disorder. Current studies suggest that ketamine may exert antidepressant effects by blocking NMDAR ion channels, but its anesthetic and psychotomimetic side effects limit its application. Here, we report efforts to design and synthesize a novel series of ketamine derivatives of NMDAR antagonists, among which compounds 23 and 24 have improved activity compared with ketamine, introducing a new direction for the development of rapid-acting antidepressant drugs.
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Open AccessArticle
Synthesis of Thiazolidin-4-Ones Derivatives, Evaluation of Conformation in Solution, Theoretical Isomerization Reaction Paths and Discovery of Potential Biological Targets
by
Nikitas Georgiou, Danai Karta, Antigoni Cheilari, Franci Merzel, Demeter Tzeli, Stamatia Vassiliou and Thomas Mavromoustakos
Molecules 2024, 29(11), 2458; https://doi.org/10.3390/molecules29112458 - 23 May 2024
Abstract
Thiazolin-4-ones and their derivatives represent important heterocyclic scaffolds with various applications in medicinal chemistry. For that reason, the synthesis of two 5-substituted thiazolidin-4-one derivatives was performed. Their structure assignment was conducted by NMR experiments (2D-COSY, 2D-NOESY, 2D-HSQC and 2D-HMBC) and conformational analysis was
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Thiazolin-4-ones and their derivatives represent important heterocyclic scaffolds with various applications in medicinal chemistry. For that reason, the synthesis of two 5-substituted thiazolidin-4-one derivatives was performed. Their structure assignment was conducted by NMR experiments (2D-COSY, 2D-NOESY, 2D-HSQC and 2D-HMBC) and conformational analysis was conducted through Density Functional Theory calculations and 2D-NOESY. Conformational analysis showed that these two molecules adopt exo conformation. Their global minimum structures have two double bonds (C=N, C=C) in Z conformation and the third double (C=N) in E. Our DFT results are in agreement with the 2D-NMR measurements. Furthermore, the reaction isomerization paths were studied via DFT to check the stability of the conformers. Finally, some potential targets were found through the SwissADME platform and docking experiments were performed. Both compounds bind strongly to five macromolecules (triazoloquinazolines, mglur3, Jak3, Danio rerio HDAC6 CD2, acetylcholinesterase) and via SwissADME it was found that these two molecules obey Lipinski’s Rule of Five.
Full article
(This article belongs to the Special Issue Fundamental Aspects of Chemical Bonding—2nd Edition)
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