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
Superhydrophobic Non-Metallic Surfaces with Multiscale Nano/Micro-Structure: Fabrication and Application
Molecules 2024, 29(9), 2098; https://doi.org/10.3390/molecules29092098 (registering DOI) - 01 May 2024
Abstract
Multiscale nano/micro-structured surfaces with superhydrophobicity are abundantly observed in nature such as lotus leaves, rose petals and butterfly wings, where microstructures typically reinforce mechanical stability, while nanostructures predominantly govern wettability. To emulate such hierarchical structures in nature, various methods have been widely applied
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Multiscale nano/micro-structured surfaces with superhydrophobicity are abundantly observed in nature such as lotus leaves, rose petals and butterfly wings, where microstructures typically reinforce mechanical stability, while nanostructures predominantly govern wettability. To emulate such hierarchical structures in nature, various methods have been widely applied in the past few decades to the manufacture of multiscale structures which can be applied to functionalities ranging from anti-icing and water–oil separation to self-cleaning. In this review, we highlight recent advances in nano/micro-structured superhydrophobic surfaces, with particular focus on non-metallic materials as they are widely used in daily life due to their lightweight, abrasion resistance and ease of processing properties. This review is organized into three sections. First, fabrication methods of multiscale hierarchical structures are introduced with their strengths and weaknesses. Second, four main application areas of anti-icing, water–oil separation, anti-fog and self-cleaning are overviewed by assessing how and why multiscale structures need to be incorporated to carry out their performances. Finally, future directions and challenges for nano/micro-structured surfaces are presented.
Full article
(This article belongs to the Special Issue Wettability Control Materials: Synthesis, Characterization, Properties and Applications)
Open AccessReview
Hemp Seeds (Cannabis sativa L.) as a Valuable Source of Natural Ingredients for Functional Foods—A Review
by
Virginia Tănase Apetroaei, Eugenia Mihaela Pricop, Daniela Ionela Istrati and Camelia Vizireanu
Molecules 2024, 29(9), 2097; https://doi.org/10.3390/molecules29092097 (registering DOI) - 01 May 2024
Abstract
Hemp (Cannabis sativa L.) has experienced a significant resurgence in popularity, and global interest in diversifying its use in various industries, including the food industry, is growing. Therefore, due to their exceptional nutritional value, hemp seeds have recently gained increasing interest as
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Hemp (Cannabis sativa L.) has experienced a significant resurgence in popularity, and global interest in diversifying its use in various industries, including the food industry, is growing. Therefore, due to their exceptional nutritional value, hemp seeds have recently gained increasing interest as a valuable ingredient for obtaining high-quality foods and dietary supplements. Hemp seeds stand out for their remarkable content of quality proteins, including edestin and albumin, two distinct types of proteins that contribute to exceptional nutritional value. Hemp seeds are also rich in healthy lipids with a high content of polyunsaturated fatty acids, such as linoleic acid (omega-6), alpha-linolenic acid (omega-3), and some vitamins (vitamins E, D, and A). Polyphenols and terpenoids, in particular, present in hemp seeds, provide antimicrobial, antioxidant, and anti-inflammatory properties. This review examines the scientific literature regarding hemp seeds’ physicochemical and nutritional characteristics. The focus is on those characteristics that allow for their use in the food industry, aiming to transform ordinary food products into functional foods, offering additional benefits for the body’s health. Innovating opportunities to develop healthy, nutritionally superior food products are explored by integrating hemp seeds into food processes, promoting a balanced and sustainable diet.
Full article
Open AccessArticle
Fabrication of Human Milk Fat Substitute: Based on the Similarity Evaluation Model and Computer Software
by
Huiquan Zhu, Pu Zhao, Xiaodan Wang, Yunna Wang, Shuwen Zhang, Xiaoyang Pang and Jiaping Lv
Molecules 2024, 29(9), 2096; https://doi.org/10.3390/molecules29092096 (registering DOI) - 01 May 2024
Abstract
We aimed to obtain the optimal formula for human milk fat substitute (HMFS) through a combination of software and an evaluation model and further verify its practicability through an animal experiment. The results showed that a total of 33 fatty acid (FA) and
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We aimed to obtain the optimal formula for human milk fat substitute (HMFS) through a combination of software and an evaluation model and further verify its practicability through an animal experiment. The results showed that a total of 33 fatty acid (FA) and 63 triglyceride (TAG) molecular species were detected in vegetable oils. Palmitic acid, oleic acid, linoleic acid, 18:1/16:0/18:1, 18:2/16:0/18:2, 18:1/18:1/18:1 and 18:1/18:2/18:1, were the main molecular species among the FAs and TAGs in the vegetable oils. Based on the HMFS evaluation model, the optimal mixed vegetable oil formula was blended with 21.3% palm oil, 2.8% linseed oil, 2.6% soybean oil, 29.9% rapeseed oil and 43.4% maize oil, with the highest score of 83.146. Moreover, there was no difference in the weight, blood routine indices or calcium and magnesium concentrations in the feces of the mice between the homemade mixed vegetable oil (HMVO) group and the commercial mixed vegetable oil (CMVO) group, while nervonic acid (C24:1) and octanoic acid (C8:0) were absorbed easily in the HMVO group. Therefore, these results demonstrate that the mixing of the different vegetable oils was feasible via a combination of computer software and an evaluation model and provided a new way to produce HMFS.
Full article
(This article belongs to the Topic Research on Extraction Technologies, Analysis Methods and Functional Evaluation of Food Active Components)
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Open AccessReview
The Role of Nanomedicine in Benign Gynecologic Disorders
by
Bethlehem A. Lulseged, Malini S. Ramaiyer, Rachel Michel, Eslam E. Saad, Bulent Ozpolat and Mostafa A. Borahay
Molecules 2024, 29(9), 2095; https://doi.org/10.3390/molecules29092095 (registering DOI) - 01 May 2024
Abstract
Nanomedicine has revolutionized drug delivery in the last two decades. Nanoparticles appear to be a promising drug delivery platform in the treatment of various gynecological disorders including uterine leiomyoma, endometriosis, polycystic ovarian syndrome (PCOS), and menopause. Nanoparticles are tiny (mean size < 1000
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Nanomedicine has revolutionized drug delivery in the last two decades. Nanoparticles appear to be a promising drug delivery platform in the treatment of various gynecological disorders including uterine leiomyoma, endometriosis, polycystic ovarian syndrome (PCOS), and menopause. Nanoparticles are tiny (mean size < 1000 nm), biodegradable, biocompatible, non-toxic, safe, and relatively inexpensive materials commonly used in imaging and the drug delivery of various therapeutics, such as chemotherapeutics, small molecule inhibitors, immune mediators, protein peptides and non-coding RNA. We performed a literature review of published studies to examine the role of nanoparticles in treating uterine leiomyoma, endometriosis, PCOS, and menopause. In uterine leiomyoma, nanoparticles containing 2-methoxyestradiole and simvastatin, promising uterine fibroid treatments, have been effective in significantly inhibiting tumor growth compared to controls in in vivo mouse models with patient-derived leiomyoma xenografts. Nanoparticles have also shown efficacy in delivering magnetic hyperthermia to ablate endometriotic tissue. Moreover, nanoparticles can be used to deliver hormones and have shown efficacy as a mechanism for transdermal hormone replacement therapy in individuals with menopause. In this review, we aim to summarize research findings and report the efficacy of nanoparticles and nanotherapeutics in the treatment of various benign gynecologic conditions.
Full article
(This article belongs to the Special Issue Featured Reviews in Nanochemistry)
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Open AccessArticle
Optimization of Cyanocobalamin (Vitamin B12) Sorption onto Mesoporous Superparamagnetic Iron Oxide Nanoparticles
by
Jolanta Flieger, Natalia Żuk, Sylwia Pasieczna-Patkowska, Michał Flieger, Rafał Panek, Tomasz Klepka and Wojciech Franus
Molecules 2024, 29(9), 2094; https://doi.org/10.3390/molecules29092094 (registering DOI) - 01 May 2024
Abstract
The techniques used to detect and quantify cyanocobalamin (vitamin B12) vary considerably in terms of detection sensitivity, from the most sensitive, based on radioisotopes and mass spectrometry (MS) with limits of detection (LOD) in fg mL−1, to fluorescence (FL) and surface
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The techniques used to detect and quantify cyanocobalamin (vitamin B12) vary considerably in terms of detection sensitivity, from the most sensitive, based on radioisotopes and mass spectrometry (MS) with limits of detection (LOD) in fg mL−1, to fluorescence (FL) and surface plasmon resonance (SPR) biosensors with LOD values in the range of a few µg mL−1. For accurate quantification of an analyte present at trace levels in complex biological matrices, a selective separation and enrichment step is required to overcome matrix interferences and ensure sufficient detection sensitivity. In this study, iron oxide magnetic nanoparticles (IONPs) were used for the extraction and initial preconcentration of cyanocobalamin (vitamin B12). In the dependence of the magnetization on the H-field (hysteresis loop), no coercivity and remanence values were found at 300 K, indicating the superparamagnetic properties of the tested IONPs. Perfluorinated acids were used as amphiphilic agents to allow the sorption of cyanocobalamin onto the IONPs. FT-IR/ATR spectroscopy was used to confirm the sorption of cyanocobalamin on the IONPs. The influence of the addition of a homologous series of perfluorinated acids such as trifluoroacetic acid (TFAA), heptafluorobutyric acid (HFBA), and trichloroacetic acid (TCAA) to the extraction mixture was tested considering their type, mass, and time required for effective sorption. The adsorption kinetics and isotherm, described by the Freundlich and Langmuir equations, were analyzed. The maximum adsorption capacity (qm) exceeded 6 mg g−1 and was 8.9 mg g−1 and 7.7 mg g−1 for HFBA and TCAA, respectively, as the most efficient additives. After the desorption process using aqueous KH2PO4 solution, the sample was finally analyzed spectrophotometrically and chromatographically. The IONP-based method was successfully applied for the isolation of cyanocobalamin from human urine samples. The results showed that the developed approach is simple, cheap, accurate, and efficient for the determination of traces of cyanocobalamin in biological matrices.
Full article
(This article belongs to the Section Nanochemistry)
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Open AccessArticle
Ultrasonic-Assisted Extraction of Xanthorrhizol from Curcuma xanthorrhiza Roxb. Rhizomes by Natural Deep Eutectic Solvents: Optimization, Antioxidant Activity, and Toxicity Profiles
by
Adelina Simamora, Kris Herawan Timotius, Heri Setiawan, Febrina Amelia Saputri, Chinthia Rahadi Putri, Dewi Aryani, Ratih Asmana Ningrum and Abdul Mun’im
Molecules 2024, 29(9), 2093; https://doi.org/10.3390/molecules29092093 (registering DOI) - 01 May 2024
Abstract
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Xanthorrhizol, an important marker of Curcuma xanthorrhiza, has been recognized for its different pharmacological activities. A green strategy for selective xanthorrhizol extraction is required. Herein, natural deep eutectic solvents (NADESs) based on glucose and organic acids (lactic acid, malic acid, and citric
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Xanthorrhizol, an important marker of Curcuma xanthorrhiza, has been recognized for its different pharmacological activities. A green strategy for selective xanthorrhizol extraction is required. Herein, natural deep eutectic solvents (NADESs) based on glucose and organic acids (lactic acid, malic acid, and citric acid) were screened for the extraction of xanthorrhizol from Curcuma xanthorrhiza. Ultrasound-assisted extraction using glucose/lactic acid (1:3) (GluLA) gave the best yield of xanthorrhizol. The response surface methodology with a Box–Behnken Design was used to optimize the interacting variables of water content, solid-to-liquid (S/L) ratio, and extraction to optimize the extraction. The optimum conditions of 30% water content in GluLA, 1/15 g/mL (S/L), and a 20 min extraction time yielded selective xanthorrhizol extraction (17.62 mg/g) over curcuminoids (6.64 mg/g). This study indicates the protective effect of GluLA and GluLA extracts against oxidation-induced DNA damage, which was comparable with those obtained for ethanol extract. In addition, the stability of the xanthorrhizol extract over 90 days was revealed when stored at −20 and 4 °C. The FTIR and NMR spectra confirmed the hydrogen bond formation in GluLA. Our study reported, for the first time, the feasibility of using glucose/lactic acid (1:3, 30% water v/v) for the sustainable extraction of xanthorrhizol.
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Open AccessCommunication
Nickel–Iron-Layered Double Hydroxide Electrocatalyst with Nanosheets Array for High Performance of Water Splitting
by
Zhi Lu, Shilin Li, Laiyuan Ning, Kun Tang, Yifan Guo, Long You, Chong Chen and Guangxin Wang
Molecules 2024, 29(9), 2092; https://doi.org/10.3390/molecules29092092 (registering DOI) - 01 May 2024
Abstract
Developing high-performance and cost-competitive electrocatalysts have great significance for the massive commercial production of water-splitting hydrogen. Ni-based electrocatalysts display tremendous potential for electrocatalytic water splitting. Herein, we synthesize a novel NiFe-layered double hydroxide (LDH) electrocatalyst in nanosheets array on high-purity Ni foam. By
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Developing high-performance and cost-competitive electrocatalysts have great significance for the massive commercial production of water-splitting hydrogen. Ni-based electrocatalysts display tremendous potential for electrocatalytic water splitting. Herein, we synthesize a novel NiFe-layered double hydroxide (LDH) electrocatalyst in nanosheets array on high-purity Ni foam. By adjusting the Ni/Fe ratio, the microstructure, and even the behavior of the electrocatalyst in the oxygen evolution reaction (OER), changes significantly. The as-obtained material shows a small overpotential of 223 mV at 10 mAcm−2 as well as a low Tafel slope of 48.9 mV·dec−1 in the 1 M KOH electrolyte. In addition, it can deliver good stability for at least 24 h of continuous working at 10 mAcm−2. This work proposes a strategy for engineering catalysts and provides a method for the development of other Ni-based catalysts with excellent performance.
Full article
(This article belongs to the Special Issue Current Development Prospects of Electrocatalysis Today)
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Open AccessArticle
Antibiofilm Activity of Combretum micranthum G. Don Catechin–Sugar Phytocomplex on Pseudomonas aeruginosa
by
Viviana Teresa Orlandi, Fabrizio Bolognese, Luca Chiodaroli, Ilaria Armenia, Enrico Caruso and Miryam Chiara Malacarne
Molecules 2024, 29(9), 2091; https://doi.org/10.3390/molecules29092091 (registering DOI) - 01 May 2024
Abstract
Clinicians often have to face infections caused by microorganisms that are difficult to eradicate due to their resistance and/or tolerance to antimicrobials. Among these pathogens, Pseudomonas aeruginosa causes chronic infections due to its ability to form biofilms on medical devices, skin wounds, ulcers
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Clinicians often have to face infections caused by microorganisms that are difficult to eradicate due to their resistance and/or tolerance to antimicrobials. Among these pathogens, Pseudomonas aeruginosa causes chronic infections due to its ability to form biofilms on medical devices, skin wounds, ulcers and the lungs of patients with Cystic Fibrosis. In this scenario, the plant world represents an important reservoir of natural compounds with antimicrobial and/or antibiofilm properties. In this study, an extract from the leaves of Combretum micranthum G. Don, named Cm4-p, which was previously investigated for its antimicrobial activities, was assayed for its capacity to inhibit biofilm formation and/or to eradicate formed biofilms. The model strain P. aeruginosa PAO1 and its isogenic biofilm hyperproducer derivative B13 were treated with Cm4-p. Preliminary IR, UV-vis, NMR, and mass spectrometry analyses showed that the extract was mainly composed of catechins bearing different sugar moieties. The phytocomplex (3 g/L) inhibited the biofilm formation of both the PAO1 and B13 strains in a significant manner. In light of the obtained results, Cm4-p deserves deeper investigations of its potential in the antimicrobial field.
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(This article belongs to the Special Issue Natural Products and Microbiology in Human Health)
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Open AccessArticle
Waste Biomass-Mediated Synthesis of TiO2/P, K-Containing Grapefruit Peel Biochar Composites with Enhanced Photocatalytic Activity
by
Ruixiang Wu, Wenhua Liu, Renao Bai, Delun Zheng, Xiufang Tian, Weikai Lin, Qianwei Ke and Lejian Li
Molecules 2024, 29(9), 2090; https://doi.org/10.3390/molecules29092090 (registering DOI) - 01 May 2024
Abstract
In this study, TiO2/P, K-containing grapefruit peel biochar (TiO2/P, K-PC) composites were synthesized in situ biomimetically using grapefruit peel as the bio-template and carbon source and tetrabutyl titanate as the titanium source. This was achieved using the two-step rotary
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In this study, TiO2/P, K-containing grapefruit peel biochar (TiO2/P, K-PC) composites were synthesized in situ biomimetically using grapefruit peel as the bio-template and carbon source and tetrabutyl titanate as the titanium source. This was achieved using the two-step rotary impregnation–calcination method. Adjusting the calcination temperature of the sample in an air atmosphere could regulate the mass ratio of TiO2 to carbon. The prepared samples were subjected to an analysis of their compositions, structures, morphologies, and properties. It demonstrated that the prepared samples were complexes of anatase TiO2 and P, K-containing carbon, with the presence of graphitic carbon. They possessed a unique morphological structure with abundant pores and a large surface area. The grapefruit peel powder played a crucial role in the induction and assembly of TiO2/P, K-PC composites. The sample PCT-400-550 had the best photocatalytic activity, with the degradation rate of RhB, MO, and MB dye solutions reaching more than 99% within 30 min, with satisfactory cyclic stability. The outstanding photocatalytic activity can be credited to its unique morphology and the efficient collaboration between TiO2 and P, K-containing biochar.
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(This article belongs to the Section Materials Chemistry)
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Open AccessArticle
Reaction of Pyrrolobenzothiazines with Schiff Bases and Carbodiimides: Approach to Angular 6/5/5/5-Tetracyclic Spiroheterocycles
by
Ekaterina A. Lystsova, Anastasia D. Novokshonova, Pavel V. Khramtsov, Alexander S. Novikov, Maksim V. Dmitriev, Andrey N. Maslivets and Ekaterina E. Khramtsova
Molecules 2024, 29(9), 2089; https://doi.org/10.3390/molecules29092089 (registering DOI) - 01 May 2024
Abstract
1H-Pyrrole-2,3-diones, fused at [e]-side with a heterocycle, are suitable platforms for the synthesis of various angular polycyclic alkaloid-like spiroheterocycles. Recently discovered sulfur-containing [e]-fused 1H-pyrrole-2,3-diones (aroylpyrrolobenzothiazinetriones) tend to exhibit unusual reactivity. Based on these peculiar representatives
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1H-Pyrrole-2,3-diones, fused at [e]-side with a heterocycle, are suitable platforms for the synthesis of various angular polycyclic alkaloid-like spiroheterocycles. Recently discovered sulfur-containing [e]-fused 1H-pyrrole-2,3-diones (aroylpyrrolobenzothiazinetriones) tend to exhibit unusual reactivity. Based on these peculiar representatives of [e]-fused 1H-pyrrole-2,3-diones, we have developed an approach to an unprecedented 6/5/5/5-tetracyclic alkaloid-like spiroheterocyclic system of benzo[d]pyrrolo[3′,4′:2,3]pyrrolo[2,1-b]thiazole via their reaction with Schiff bases and carbodiimides. The experimental results have been supplemented with DFT computational studies. The synthesized alkaloid-like 6/5/5/5-tetracyclic compounds have been tested for their biotechnological potential as growth stimulants in the green algae Chlorella vulgaris.
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(This article belongs to the Section Organic Chemistry)
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Open AccessReview
Intracellular Protective Functions and Therapeutical Potential of Trehalose
by
Dorota Kuczyńska-Wiśnik, Karolina Stojowska-Swędrzyńska and Ewa Laskowska
Molecules 2024, 29(9), 2088; https://doi.org/10.3390/molecules29092088 (registering DOI) - 01 May 2024
Abstract
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Trehalose is a naturally occurring, non-reducing saccharide widely distributed in nature. Over the years, research on trehalose has revealed that this initially thought simple storage molecule is a multifunctional and multitasking compound protecting cells against various stress factors. This review presents data on
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Trehalose is a naturally occurring, non-reducing saccharide widely distributed in nature. Over the years, research on trehalose has revealed that this initially thought simple storage molecule is a multifunctional and multitasking compound protecting cells against various stress factors. This review presents data on the role of trehalose in maintaining cellular homeostasis under stress conditions and in the virulence of bacteria and fungi. Numerous studies have demonstrated that trehalose acts in the cell as an osmoprotectant, chemical chaperone, free radical scavenger, carbon source, virulence factor, and metabolic regulator. The increasingly researched medical and therapeutic applications of trehalose are also discussed.
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Open AccessArticle
Synthesis of Composite Sorbents with Chitosan and Varied Silica Phases for the Adsorption of Anionic Dyes
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Magdalena Blachnio, Malgorzata Zienkiewicz-Strzalka and Anna Derylo-Marczewska
Molecules 2024, 29(9), 2087; https://doi.org/10.3390/molecules29092087 (registering DOI) - 01 May 2024
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In this work, various types of silica materials were used for the synthesis of chitosan–silica composites. The composites were obtained using the chitosan (Ch) immobilization process from an aqueous solution on various silica phases, i.e., amorphous diatomite (ChAD), crystalline diatomite (ChCD), mesoporous silica
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In this work, various types of silica materials were used for the synthesis of chitosan–silica composites. The composites were obtained using the chitosan (Ch) immobilization process from an aqueous solution on various silica phases, i.e., amorphous diatomite (ChAD), crystalline diatomite (ChCD), mesoporous silica MCM-41 (ChMCM), and mesoporous silica SBA-15 (ChSBA). Textural, structural, morphological, and surface properties of the materials were determined by using various measurement techniques, i.e., low-temperature adsorption/desorption isotherms of nitrogen, X-ray diffraction (XRD), small-angle X-ray scattering (SAXS), potentiometric titration, high-resolution transmission electron microscopy (HRTEM), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The adsorption properties towards various anionic dyes, i.e., acid red 88 (AR88), acid orange 8 (AO8), and orange G (OG), were evaluated based on kinetic and equilibrium measurements. The ChSBA, ChAD, and ChMCM composites were characterized by relatively high adsorption capacities (am) for AR88, with values equal to 0.78, 0.71, and 0.69 mmol/g, respectively. These composites were also distinguished by the rapid AR88 adsorption rate, with the values of half-time parameter t0.5 equal to 0.35, 2.84, and 1.53 min, respectively. The adsorption equilibrium and kinetic data were analyzed by applying the generalized Langmuir isotherm and the multi-exponential equation (m-exp), respectively. An interaction mechanism between the dyes and the obtained materials was proposed.
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Open AccessArticle
Benchtop NMR Coupled with Chemometrics: A Workflow for Unveiling Hidden Drug Ingredients in Honey-Based Supplements
by
Camille Pujol, Saïda Danoun, Ghislaine Biasini, Emmanuel Retailleau, Jessica Masson, Stéphane Balayssac and Véronique Gilard
Molecules 2024, 29(9), 2086; https://doi.org/10.3390/molecules29092086 (registering DOI) - 01 May 2024
Abstract
Recently, benchtop nuclear magnetic resonance (NMR) spectrometers utilizing permanent magnets have emerged as versatile tools with applications across various fields, including food and pharmaceuticals. Their efficacy is further enhanced when coupled with chemometric methods. This study presents an innovative approach to leveraging a
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Recently, benchtop nuclear magnetic resonance (NMR) spectrometers utilizing permanent magnets have emerged as versatile tools with applications across various fields, including food and pharmaceuticals. Their efficacy is further enhanced when coupled with chemometric methods. This study presents an innovative approach to leveraging a compact benchtop NMR spectrometer coupled with chemometrics for screening honey-based food supplements adulterated with active pharmaceutical ingredients. Initially, fifty samples seized by French customs were analyzed using a 60 MHz benchtop spectrometer. The investigation unveiled the presence of tadalafil in 37 samples, sildenafil in 5 samples, and a combination of flibanserin with tadalafil in 1 sample. After conducting comprehensive qualitative and quantitative characterization of the samples, we propose a chemometric workflow to provide an efficient screening of honey samples using the NMR dataset. This pipeline, utilizing partial least squares discriminant analysis (PLS-DA) models, enables the classification of samples as either adulterated or non-adulterated, as well as the identification of the presence of tadalafil or sildenafil. Additionally, PLS regression models are employed to predict the quantitative content of these adulterants. Through blind analysis, this workflow allows for the detection and quantification of adulterants in these honey supplements.
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(This article belongs to the Special Issue Spectroscopic Methods in Food Chemistry)
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Open AccessArticle
Optimization of Composite Enzymatic Extraction, Structural Characterization and Biological Activity of Soluble Dietary Fiber from Akebia trifoliata Peel
by
Ya Song, Guoshun Sun, Dian Wang, Jin Chen, Jun Lv, Sixia Jiang, Guoqiang Zhang, Shirui Yu and Huayan Zheng
Molecules 2024, 29(9), 2085; https://doi.org/10.3390/molecules29092085 (registering DOI) - 01 May 2024
Abstract
In order to reduce the waste of Akebia trifoliata peel and maximize its utilization, in this study, on the basis of a single-factor experiment and the response surface method, the optimum technological conditions for the extraction of soluble dietary fiber from Akebia trifoliata
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In order to reduce the waste of Akebia trifoliata peel and maximize its utilization, in this study, on the basis of a single-factor experiment and the response surface method, the optimum technological conditions for the extraction of soluble dietary fiber from Akebia trifoliata peel with the compound enzyme method were obtained. The chemical composition, physical and chemical properties, structural characterization and biological activity of the purified soluble dietary fiber (AP-SDF) from the Akebia trifoliata peel were analyzed. We discovered that that the optimum yield was 20.87% under the conditions of cellulase addition 600 U/g, enzymolysis time 100 min, solid–liquid ratio 1:24 g/mL and enzymolysis temperature 51 °C. At the same time, AP-SDF was a porous network structure cellulose type I acidic polysaccharose mainly composed of arabinoxylan (36.03%), galacturonic acid (27.40%) and glucose (19.00%), which possessed the structural characteristic peaks of the infrared spectra of polysaccharides and the average molecular weight (Mw) was 95.52 kDa with good uniformity. In addition, the AP-SDF exhibited high oil-holding capacity (15.11 g/g), good water-holding capacity and swelling capacity, a certain antioxidant capacity in vitro, hypoglycemic activity in vitro for α-glucosidase inhibition and hypolipidemic activity in vitro for the binding ability of bile acids and cholesterol. These results will provide a theoretical basis for the development of functional products with antioxidant, hypoglycemic and hypolipidemic effects, which have certain application value in related industries.
Full article
(This article belongs to the Special Issue Waste and By-Products from Agricultural Production for Innovative Health Applications)
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Open AccessArticle
UVC Stokes and Anti-Stokes Emission of Ca9Y(PO4)7 Polycrystals Doped with Pr3+ Ions
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Karol Lemański, Olha Bezkrovna, Nadiia Rebrova, Radosław Lisiecki, Patrycja Zdeb and Przemysław Jacek Dereń
Molecules 2024, 29(9), 2084; https://doi.org/10.3390/molecules29092084 - 01 May 2024
Abstract
The recent COVID-19 pandemic has made everyone aware of the threat of viruses and the growing number of antibiotic-resistant bacteria. It has become necessary to find new methods to combat these hazards. One tool that could be used is UVC radiation, i.e., 100–280
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The recent COVID-19 pandemic has made everyone aware of the threat of viruses and the growing number of antibiotic-resistant bacteria. It has become necessary to find new methods to combat these hazards. One tool that could be used is UVC radiation, i.e., 100–280 nm. Currently, the available sources of this light are mercury vapor lamps. However, the modern world requires more compact, mercury-free, and less energy-consuming light sources. This work presents the results of our research on a new material in which efficient UVC radiation was obtained. Here, we present the results of research on Ca9Y(PO4)7 polycrystals doped with Pr3+ ions prepared using the solid-state method. The absorption, excitation, emission, and emission decay profiles of praseodymium(III) ions were measured and analyzed. The upconversion emission in the UVC region excited by blue light was observed. Parameters such as energy bandgap, refractive index, and thermal stability of luminescence were determined. The studied phosphate-based phosphor possesses promising characteristics that show its potential in luminescent applications in future use in medicine or for surface disinfection.
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(This article belongs to the Section Physical Chemistry)
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Open AccessArticle
Chitosan as a Bio-Based Ligand for the Production of Hydrogenation Catalysts
by
Stefano Paganelli, Eleonora Brugnera, Alessandro Di Michele, Manuela Facchin and Valentina Beghetto
Molecules 2024, 29(9), 2083; https://doi.org/10.3390/molecules29092083 - 01 May 2024
Abstract
Bio-based polymers are attracting increasing interest as alternatives to harmful and environmentally concerning non-biodegradable fossil-based products. In particular, bio-based polymers may be employed as ligands for the preparation of metal nanoparticles (M(0)NPs). In this study, chitosan (CS) was used for the stabilization of
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Bio-based polymers are attracting increasing interest as alternatives to harmful and environmentally concerning non-biodegradable fossil-based products. In particular, bio-based polymers may be employed as ligands for the preparation of metal nanoparticles (M(0)NPs). In this study, chitosan (CS) was used for the stabilization of Ru(0) and Rh(0) metal nanoparticles (MNPs), prepared by simply mixing RhCl3 × 3H2O or RuCl3 with an aqueous solution of CS, followed by NaBH4 reduction. The formation of M(0)NPs-CS was confirmed by Fourier Transform Infrared Spectroscopy (FT-IR), Differential Scanning Calorimetry (DSC), Thermal Gravimetric Analysis (TGA), Scanning Electron Microscopy (SEM), Energy-Dispersive X-ray Analysis (EDX), Transmission Electron Microscopy (TEM) and X-ray Diffraction (XRD). Their size was estimated to be below 40 nm for Rh(0)-CS and 10nm for Ru(0)-CS by SEM analysis. M(0)NPs-CS were employed for the hydrogenation of (E)-cinnamic aldehyde and levulinic acid. Easy recovery by liquid-liquid extraction made it possible to separate the catalyst from the reaction products. Recycling experiments demonstrated that M(0)NPs-CS were highly efficient up to four times in the best hydrogenation conditions. The data found in this study show that CS is an excellent ligand for the stabilization of Rh(0) and Ru(0) nanoparticles, allowing the production of some of the most efficient, selective and recyclable hydrogenation catalysts known in the literature.
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(This article belongs to the Special Issue Green Organic Synthesis: Novel Approaches)
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Open AccessArticle
Enhancing the Conductivity and Dielectric Characteristics of Bismuth Oxyiodide via Activated Carbon Doping
by
Mohamed Khairy, Faisal K. Algethami, Abdullah N. Alotaibi, Rasmiah S. Almufarij and Babiker Y. Abdulkhair
Molecules 2024, 29(9), 2082; https://doi.org/10.3390/molecules29092082 - 01 May 2024
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Activated carbon/BiOI nanocomposites were successfully synthesized through a simplistic method. The produced composites were then characterized using XRD, TEM, SEM-EDX, and XPS. The results showed that BiOI with a tetragonal crystal structure had been formed. The interaction between activated carbon and BiOI was
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Activated carbon/BiOI nanocomposites were successfully synthesized through a simplistic method. The produced composites were then characterized using XRD, TEM, SEM-EDX, and XPS. The results showed that BiOI with a tetragonal crystal structure had been formed. The interaction between activated carbon and BiOI was confirmed via all the mentioned tools. The obtained nanocomposites’ electrical conductivity, dielectric properties, and Ac impedance were studied at 59 KHz−1.29 MHz. AC and dc conductivities were studied at temperatures between 303 and 573 K within the frequency range of 59 KHz–1.29 MHz. The 10% activated carbon/BiOI nanocomposite possessed dc and AC conductivity values of 5.56 × 10−4 and 2.86 × 10−4 Ω−1.cm−1, respectively, which were higher than BiOI and the other nanocomposites. Every sample exhibited increased electrical conductivity values as the temperature and frequency rose, suggesting that all samples had semiconducting behavior. The loss and dielectric constants (ε′ and ε″) also dropped as the frequency increased, leading to higher dielectric loss. The Nyquist plot unraveled single semicircle arcs and a decreased bulk resistance, indicating decreased grain boundary resistance. Consequently, the electrical characteristics of BiOI, 1C/BiOI, 5C/BiOI, and 10C/BiOI implied their applicability as dielectric absorbers, charge-stored capacitors, and high-frequency microwave devices.
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Open AccessReview
Transforming Waste into Wealth: Advanced Carbon-Based Electrodes Derived from Refinery and Coal By-Products for Next-Generation Energy Storage
by
Ar Rafi Ferdous, Syed Shaheen Shah, Syed Niaz Ali Shah, Bashir Ahmed Johan, Md Abdullah Al Bari and Md. Abdul Aziz
Molecules 2024, 29(9), 2081; https://doi.org/10.3390/molecules29092081 (registering DOI) - 30 Apr 2024
Abstract
This comprehensive review addresses the need for sustainable and efficient energy storage technologies against escalating global energy demand and environmental concerns. It explores the innovative utilization of waste materials from oil refineries and coal processing industries as precursors for carbon-based electrodes in next-generation
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This comprehensive review addresses the need for sustainable and efficient energy storage technologies against escalating global energy demand and environmental concerns. It explores the innovative utilization of waste materials from oil refineries and coal processing industries as precursors for carbon-based electrodes in next-generation energy storage systems, including batteries and supercapacitors. These waste-derived carbon materials, such as semi-coke, coal gasification fine ash, coal tar pitch, petroleum coke, and petroleum vacuum residue, offer a promising alternative to conventional electrode materials. They present an optimal balance of high carbon content and enhanced electrochemical properties while promoting environmental sustainability through effectively repurposing waste materials from coal and hydrocarbon industries. This review systematically examines recent advancements in fabricating and applying waste-derived carbon-based electrodes. It delves into the methodologies for converting industrial by-products into high-quality carbon electrodes, with a particular emphasis on carbonization and activation processes tailored to enhance the electrochemical performance of the derived materials. Key findings indicate that while higher carbonization temperatures may impede the development of a porous structure, using KOH as an activating agent has proven effective in developing mesoporous structures conducive to ion transport and storage. Moreover, incorporating heteroatom doping (with elements such as sulfur, potassium, and nitrogen) has shown promise in enhancing surface interactions and facilitating the diffusion process through increased availability of active sites, thereby demonstrating the potential for improved storage capabilities. The electrochemical performance of these waste-derived carbon materials is evaluated across various configurations and electrolytes. Challenges and future directions are identified, highlighting the need for a deeper understanding of the microstructural characteristics that influence electrochemical performance and advocating for interdisciplinary research to achieve precise control over material properties. This review contributes to advancing electrode material technology and promotes environmental sustainability by repurposing industrial waste into valuable resources for energy storage. It underscores the potential of waste-derived carbon materials in sustainably meeting global energy storage demands.
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(This article belongs to the Special Issue Advance Nanomaterials for Photoelectrochemistry Energy Storage/Generation and Environmental Remediations)
Open AccessArticle
Application of Cinnamomum burmannii Essential Oil in Promoting Wound Healing
by
Xiangsheng Zhang, Xueyi Lin, Jiayuan Cao, Guofeng Xie, Xinrui Yang, Bingnan Liu, Xin Xu, Fang Cheng, Hongbo Chen and Yuxin Pang
Molecules 2024, 29(9), 2080; https://doi.org/10.3390/molecules29092080 (registering DOI) - 30 Apr 2024
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Skin wounds, leading to infections and death, have a huge negative impact on healthcare systems around the world. Antibacterial therapy and the suppression of excessive inflammation help wounds heal. To date, the application of wound dressings, biologics and biomaterials (hydrogels, epidermal growth factor,
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Skin wounds, leading to infections and death, have a huge negative impact on healthcare systems around the world. Antibacterial therapy and the suppression of excessive inflammation help wounds heal. To date, the application of wound dressings, biologics and biomaterials (hydrogels, epidermal growth factor, stem cells, etc.) is limited due to their difficult and expensive preparation process. Cinnamomum burmannii (Nees & T. Nees) Blume is an herb in traditional medicine, and its essential oil is rich in D-borneol, with antibacterial and anti-inflammatory effects. However, it is not clear whether Cinnamomum burmannii essential oil has the function of promoting wound healing. This study analyzed 32 main components and their relative contents of essential oil using GC-MS. Then, network pharmacology was used to predict the possible targets of this essential oil in wound healing. We first proved this essential oil’s effects in vitro and in vivo. Cinnamomum burmannii essential oil could not only promote the proliferation and migration of skin stromal cells, but also promote M2-type polarization of macrophages while inhibiting the expression of pro-inflammatory cytokines. This study explored the possible mechanism by which Cinnamomum burmannii essential oil promotes wound healing, providing a cheap and effective strategy for promoting wound healing.
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Open AccessReview
The Analgesic Potential of Litsea Species: A Systematic Review
by
May Poh Yik Goh, Raudhatun Na’emah Samsul, Amal Widaad Mohaimin, Hui Poh Goh, Nurul Hazlina Zaini, Nurolaini Kifli and Norhayati Ahmad
Molecules 2024, 29(9), 2079; https://doi.org/10.3390/molecules29092079 (registering DOI) - 30 Apr 2024
Abstract
Various plant species from the Litsea genus have been claimed to be beneficial for pain relief. The PRISMA approach was adopted to identify studies that reported analgesic properties of plants from the Litsea genus. Out of 450 records returned, 19 primary studies revealed
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Various plant species from the Litsea genus have been claimed to be beneficial for pain relief. The PRISMA approach was adopted to identify studies that reported analgesic properties of plants from the Litsea genus. Out of 450 records returned, 19 primary studies revealed the analgesic potential of nine Litsea species including (1) Litsea cubeba, (2) Litsea elliptibacea, (3) Litsea japonica, (4) Litsea glutinosa, (5) Litsea glaucescens, (6) Litsea guatemalensis, (7) Litsea lancifolia, (8) Litsea liyuyingi and (9) Litsea monopetala. Six of the species, 1, 3, 4, 7, 8 and 9, demonstrated peripheral antinociceptive properties as they inhibited acetic-acid-induced writhing in animal models. Species 1, 3, 4, 8 and 9 further showed effects via the central analgesic route at the spinal level by increasing the latencies of heat stimulated-nocifensive responses in the tail flick assay. The hot plate assay also revealed the efficacies of 4 and 9 at the supraspinal level. Species 6 was reported to ameliorate hyperalgesia induced via partial sciatic nerve ligation (PSNL). The antinociceptive effects of 1 and 3 were attributed to the regulatory effects of their bioactive compounds on inflammatory mediators. As for 2 and 5, their analgesic effect may be a result of their activity with the 5-hydroxytryptamine 1A receptor (5-HT1AR) which disrupted the pain-stimulating actions of 5-HT. Antinociceptive activities were documented for various major compounds of the Litsea plants. Overall, the findings suggested Litsea species as good sources of antinociceptive compounds that can be further developed to complement or substitute prescription drugs for pain management.
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(This article belongs to the Topic Natural Products and Drug Discovery)
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