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Molecules, Volume 29, Issue 1 (January-1 2024) – 279 articles

Cover Story (view full-size image): In recent years, various cobalt-based bimetallic nanomaterials have been widely used in advanced oxidation processes (AOPs) due to their excellent catalytic activity and cycling stability. In this work, sea urchin-like NiCo2O4 catalysts were synthesized by hydrothermal and thermal treatments and used to activate PMS to degrade organic pollutants in water. The excellent catalytic activity of the sea urchin-like NiCo2O4 /PMS system is mainly attributed to the synergistic effect of Co2+-Co3+/Ni3+-Ni2+, which is the main reason for the generation of reactive oxygen species (ROSs). This study suggests that sea urchin-like NiCo2O4-activated PMS is a promising technology for environmental treatment and remediation in response to water pollution problems. View this paper
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43 pages, 12336 KiB  
Review
Recent Advances in Chemistry and Antioxidant/Anticancer Biology of Monoterpene and Meroterpenoid Natural Product
by Benedict J. Barras, Taotao Ling and Fatima Rivas
Molecules 2024, 29(1), 279; https://doi.org/10.3390/molecules29010279 - 04 Jan 2024
Viewed by 1620
Abstract
Monoterpenes and meroterpenes are two large classes of isoprene-based molecules produced by terrestrial plants and unicellular organisms as diverse secondary metabolites. The global rising incidence of cancer has led to a renewed interest in natural products. These monoterpenes and meroterpenes represent a novel [...] Read more.
Monoterpenes and meroterpenes are two large classes of isoprene-based molecules produced by terrestrial plants and unicellular organisms as diverse secondary metabolites. The global rising incidence of cancer has led to a renewed interest in natural products. These monoterpenes and meroterpenes represent a novel source of molecular scaffolds that can serve as medicinal chemistry platforms for the development of potential preclinical leads. Furthermore, some of these natural products are either abundant, or their synthetic strategies are scalable as it will be indicated here, facilitating their derivatization to expand their scope in drug discovery. This review is a collection of representative updates (from 2016–2023) in biologically active monoterpene and meroterpenoid natural products and focuses on the recent findings of the pharmacological potential of these bioactive compounds as well as the newly developed synthetic strategies employed to access them. Particular emphasis will be placed on the anticancer and antioxidant potential of these compounds in order to raise knowledge for further investigations into the development of potential anti-cancer therapeutics. The mounting experimental evidence from various research groups across the globe regarding the use of these natural products at pre-clinical levels, renders them a fast-track research area worth of attention. Full article
(This article belongs to the Special Issue Natural Bioactive Compounds from Traditional Asian Plants)
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19 pages, 6071 KiB  
Article
Targeted Delivery of Arctigenin Using Sialic Acid Conjugate-Modified Liposomes for the Treatment of Breast Cancer
by Shunfang Liu, Yaozhen He, Minding Feng, Yongtong Huang, Wenhao Wu and Jiu Wang
Molecules 2024, 29(1), 278; https://doi.org/10.3390/molecules29010278 - 04 Jan 2024
Viewed by 1083
Abstract
Arctigenin (ATG) is a broad-spectrum antitumor drug with an excellent inhibitory effect on malignant tumors such as breast cancer, glioblastoma, liver cancer, and colon cancer. However, the clinical application of ATG is limited by its poor water solubility and quick hydrolysis in the [...] Read more.
Arctigenin (ATG) is a broad-spectrum antitumor drug with an excellent inhibitory effect on malignant tumors such as breast cancer, glioblastoma, liver cancer, and colon cancer. However, the clinical application of ATG is limited by its poor water solubility and quick hydrolysis in the liver, intestine, and plasma, which might hinder its application. Sialic acid (SA) recognizes selectin receptors overexpressed on the surface of tumor-associated macrophages. In this study, SA was conjugated with octadecylamine (ODA) to prepare SA-ODA, which was employed to prepare SA functionalized nanoliposomes (SA-Lip) to achieve breast cancer targeting. The formulations were finely optimized using the Box–Behnken design to achieve higher ATG loading. The size, ζ potential, entrapment efficiency, drug loading, and release behavior of ATG@SA-Lip were fully investigated in comparison with conventional ATG@Lip. The ATG@SA-Lip displayed more potent cytotoxicity and higher cellular internalization compared to ATG@Sol and ATG@Lip in both MCF7 and 4T1 cells. Notably, ATG@SA-Lip showed the lowest impact on the immune system. Our study demonstrates that SA-Lip has strong potential as a delivery system for the targeted delivery of ATG. Full article
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13 pages, 7095 KiB  
Article
Dy-Modified Mn/TiO2 Catalyst Used for the Selective Catalytic Reduction of NO in Ammonia at Low Temperatures
by Bing Xu, Zhen Wang, Jie Hu, Lei Zhang, Zhipeng Zhang, Hongtan Liang, Yong Zhang and Guozhi Fan
Molecules 2024, 29(1), 277; https://doi.org/10.3390/molecules29010277 - 04 Jan 2024
Viewed by 723
Abstract
A novel Mn/TiO2 catalyst, prepared through modification with the rare-earth metal Dy, has been employed for low-temperature selective catalytic reduction (SCR) denitrification. Anatase TiO2, with its large specific surface area, serves as the carrier. The active component MnOx on [...] Read more.
A novel Mn/TiO2 catalyst, prepared through modification with the rare-earth metal Dy, has been employed for low-temperature selective catalytic reduction (SCR) denitrification. Anatase TiO2, with its large specific surface area, serves as the carrier. The active component MnOx on the TiO2 carrier is modified using Dy. DyxMn/TiO2, prepared via the impregnation method, exhibited remarkable catalytic performance in the SCR of NO with NH3 as the reducing agent at low temperatures. Experiments and characterization revealed that the introduction of a suitable amount of the rare-earth metal Dy can effectively enhance the catalyst’s specific surface area and the gas–solid contact area in catalytic reactions. It also significantly increases the concentration of Mn4+, chemisorbed oxygen, and weak acid sites on the catalyst surface. This leads to a notable improvement in the reduction performance of the DyMn/TiO2 catalyst, ultimately contributing to the improvement of the NH3-SCR denitrification performance at low temperatures. At 100 °C and a space velocity of 24,000 h−1, the Dy0.1Mn/TiO2 catalyst can achieve a 98% conversion rate of NOx. Furthermore, its active temperature point decreases by 60 °C after the modification, highlighting exceptional catalytic efficacy at low temperatures. By doubling the space velocity, the NOx conversion rate of the catalyst can still reach 96% at 130 °C, indicating significant operational flexibility. The selectivity of N2 remained stable at over 95% before reaching 240 °C. Full article
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8 pages, 2286 KiB  
Tutorial
MolOptimizer: A Molecular Optimization Toolkit for Fragment-Based Drug Design
by Adam Soffer, Samuel Joshua Viswas, Shahar Alon, Nofar Rozenberg, Amit Peled, Daniel Piro, Dan Vilenchik and Barak Akabayov
Molecules 2024, 29(1), 276; https://doi.org/10.3390/molecules29010276 - 04 Jan 2024
Viewed by 963
Abstract
MolOptimizer is a user-friendly computational toolkit designed to streamline the hit-to-lead optimization process in drug discovery. MolOptimizer extracts features and trains machine learning models using a user-provided, labeled, and small-molecule dataset to accurately predict the binding values of new small molecules that share [...] Read more.
MolOptimizer is a user-friendly computational toolkit designed to streamline the hit-to-lead optimization process in drug discovery. MolOptimizer extracts features and trains machine learning models using a user-provided, labeled, and small-molecule dataset to accurately predict the binding values of new small molecules that share similar scaffolds with the target in focus. Hosted on the Azure web-based server, MolOptimizer emerges as a vital resource, accelerating the discovery and development of novel drug candidates with improved binding properties. Full article
(This article belongs to the Section Chemical Biology)
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17 pages, 2987 KiB  
Article
Marine Toxins as Pharmaceutical Treasure Troves: A Focus on Saxitoxin Derivatives from a Computational Point of View
by Norma Flores-Holguín, Joan S. Salas-Leiva, Erick J. Núñez-Vázquez, Dariel Tovar-Ramírez and Daniel Glossman-Mitnik
Molecules 2024, 29(1), 275; https://doi.org/10.3390/molecules29010275 - 04 Jan 2024
Viewed by 939
Abstract
This work highlights the significant potential of marine toxins, particularly saxitoxin (STX) and its derivatives, in the exploration of novel pharmaceuticals. These toxins, produced by aquatic microorganisms and collected by bivalve mollusks and other filter-feeding organisms, offer a vast reservoir of chemical and [...] Read more.
This work highlights the significant potential of marine toxins, particularly saxitoxin (STX) and its derivatives, in the exploration of novel pharmaceuticals. These toxins, produced by aquatic microorganisms and collected by bivalve mollusks and other filter-feeding organisms, offer a vast reservoir of chemical and biological diversity. They interact with sodium channels in physiological processes, affecting various functions in organisms. Exposure to these toxins can lead to symptoms ranging from tingling sensations to respiratory failure and cardiovascular shock, with STX being one of the most potent. The structural diversity of STX derivatives, categorized into carbamate, N-sulfocarbamoyl, decarbamoyl, and deoxydecarbamoyl toxins, offers potential for drug development. The research described in this work aimed to computationally characterize 18 STX derivatives, exploring their reactivity properties within marine sponges using conceptual density functional theory (CDFT) techniques. Additionally, their pharmacokinetic properties, bioavailability, and drug-likeness scores were assessed. The outcomes of this research were the chemical reactivity parameters calculated via CDFT as well as the estimated pharmacokinetic and ADME properties derived using computational tools. While they may not align directly, the integration of these distinct datasets enriches our comprehensive understanding of the compound’s properties and potential applications. Thus, this study holds promise for uncovering new pharmaceutical candidates from the considered marine toxins. Full article
(This article belongs to the Special Issue Advances in Density Functional Theory (DFT) Calculation)
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22 pages, 6534 KiB  
Article
Pan-EGFR Inhibitor Dacomitinib Resensitizes Paclitaxel and Induces Apoptosis via Elevating Intracellular ROS Levels in Ovarian Cancer SKOV3-TR Cells
by Ye Jin Lim, Hee Su Kim, Seunghee Bae, Kyeong A So, Tae Jin Kim and Jae Ho Lee
Molecules 2024, 29(1), 274; https://doi.org/10.3390/molecules29010274 - 04 Jan 2024
Viewed by 1198
Abstract
Paclitaxel is still used as a standard first-line treatment for ovarian cancer. Although paclitaxel is effective for many types of cancer, the emergence of chemoresistant cells represents a major challenge in chemotherapy. Our study aimed to analyze the cellular mechanism of dacomitinib, a [...] Read more.
Paclitaxel is still used as a standard first-line treatment for ovarian cancer. Although paclitaxel is effective for many types of cancer, the emergence of chemoresistant cells represents a major challenge in chemotherapy. Our study aimed to analyze the cellular mechanism of dacomitinib, a pan-epidermal growth factor receptor (EGFR) inhibitor, which resensitized paclitaxel and induced cell cytotoxicity in paclitaxel-resistant ovarian cancer SKOV3-TR cells. We investigated the significant reduction in cell viability cotreated with dacomitinib and paclitaxel by WST-1 assay and flow cytometry analysis. Dacomitinib inhibited EGFR family proteins, including EGFR and HER2, as well as its downstream signaling proteins, including AKT, STAT3, ERK, and p38. In addition, dacomitinib inhibited the phosphorylation of Bad, and combination treatment with paclitaxel effectively suppressed the expression of Mcl-1. A 2′-7′-dichlorodihydrofluorescein diacetate (DCFH-DA) assay revealed a substantial elevation in cellular reactive oxygen species (ROS) levels in SKOV3-TR cells cotreated with dacomitinib and paclitaxel, which subsequently mediated cell cytotoxicity. Additionally, we confirmed that dacomitinib inhibits chemoresistance in paclitaxel-resistant ovarian cancer HeyA8-MDR cells. Collectively, our research indicated that dacomitinib effectively resensitized paclitaxel in SKOV3-TR cells by inhibiting EGFR signaling and elevating intracellular ROS levels. Full article
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14 pages, 7541 KiB  
Article
Synthesis of New Derivatives of Berberine Canagliflozin and Study of Their Antibacterial Activity and Mechanism
by Jinsheng Li, Xueli Hou, Jinlong Xiao, Li Zhu, Yujie Deng, Ziyi Li, Zijian Zhao, Zhenghong Luo and Hao Wei
Molecules 2024, 29(1), 273; https://doi.org/10.3390/molecules29010273 - 04 Jan 2024
Viewed by 995
Abstract
The isoquinoline alkaloid berberine, derived from Coptidis rhizoma, exhibits antibacterial, hypoglycemic, and anti-inflammatory properties. Canagliflozin is a sodium–glucose cotransporter 2 (SGLT2) inhibitor. We synthesized compounds B9OC and B9OBU by conjugating canagliflozin and n-butane at the C9 position of berberine, aiming to develop antimicrobial [...] Read more.
The isoquinoline alkaloid berberine, derived from Coptidis rhizoma, exhibits antibacterial, hypoglycemic, and anti-inflammatory properties. Canagliflozin is a sodium–glucose cotransporter 2 (SGLT2) inhibitor. We synthesized compounds B9OC and B9OBU by conjugating canagliflozin and n-butane at the C9 position of berberine, aiming to develop antimicrobial agents for combating bacterial infections worldwide. We utilized clinically prevalent pathogenic bacteria, namely Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa, to investigate the antibacterial efficacy of B9OC. This was accomplished through the determination of the MIC80 values, analysis of bacterial growth curves, evaluation of biofilm formation using crystal violet staining, assessment of impact on bacterial proteins via SDS-PAGE analysis, and observation of alterations in bacterial morphology utilizing field emission scanning electron microscopy. Meanwhile, the ADMET of compound B9OC was predicted using a computer-aided method. The findings revealed that B9OC exhibited lower minimal inhibitory concentrations against all three bacteria compared to berberine alone or in combination with canagliflozin. The minimal inhibitory concentrations (MICs) of B9OC against the three experimental strains were determined to be 0.035, 0.258, and 0.331 mM. However, B9OBu exhibited a lower level of antimicrobial activity compared to berberine. The compound B9OC exhibits a broad spectrum of antibacterial activity by disrupting the integrity of bacterial cell walls, leading to cellular rupture and the subsequent degradation of intracellular proteins. Full article
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17 pages, 3486 KiB  
Article
Opioid/Dopamine Receptor Binding Studies, NMR and Molecular Dynamics Simulation of LENART01 Chimera, an Opioid-Bombesin-like Peptide
by Pawel Serafin, Łukasz Szeleszczuk, Igor Zhukov, Edina Szűcs, Dávid Gombos, Azzurra Stefanucci, Adriano Mollica, Dariusz Maciej Pisklak and Patrycja Kleczkowska
Molecules 2024, 29(1), 272; https://doi.org/10.3390/molecules29010272 - 04 Jan 2024
Cited by 2 | Viewed by 820
Abstract
The design and development of hybrid compounds as a new class of drug candidates remains an excellent opportunity to improve the pharmacological properties of drugs (including enzymatic stability, efficacy and pharmacokinetic and pharmacodynamic profiles). In addition, considering various complex diseases and/or disorders, the [...] Read more.
The design and development of hybrid compounds as a new class of drug candidates remains an excellent opportunity to improve the pharmacological properties of drugs (including enzymatic stability, efficacy and pharmacokinetic and pharmacodynamic profiles). In addition, considering various complex diseases and/or disorders, the conjugate chemistry approach is highly acceptable and justified. Opioids have long been recognized as the most potent analgesics and serve as the basic pharmacophore for potent hybrid compounds that may be useful in pain management. However, a risk of tolerance and physical dependence exists. Since dopamine receptors have been implicated in the aforementioned adverse effects of opioids, the construction of a hybrid with dual action at opioid and dopamine receptors is of interest. Herein, we present nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics simulation results for LENART01, an opioid–ranatensin hybrid peptide. Apart from molecular docking, protein–ligand interactions were also assessed in vitro using a receptor binding assay, which proved LENART01 to be bound to mu-opioid and dopamine receptors, respectively. Full article
(This article belongs to the Topic Peptoids and Peptide Based Drugs)
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22 pages, 42729 KiB  
Article
Nanostructure Lipid Carrier of Curcumin Co-Delivered with Linalool and Geraniol Monoterpenes as Acetylcholinesterase Inhibitor of Culex pipiens
by Ibrahim Taha Radwan, Nirvina Abdel Raouf Ghazawy, Abeer Mousa Alkhaibari, Hattan S. Gattan, Mohammed H. Alruhaili, Abdelfattah Selim, Mostafa E. Salem, Eman Alaaeldin AbdelFattah and Heba M. Hamama
Molecules 2024, 29(1), 271; https://doi.org/10.3390/molecules29010271 - 04 Jan 2024
Cited by 1 | Viewed by 1229
Abstract
(1) Background: A molecular hybridization docking approach was employed to develop and detect a new category of naturally activated compounds against Culex pipiens as acetylcholinesterase inhibitors via designing a one-pot multicomponent nano-delivery system. (2) Methods: A nanostructure lipid carrier (NLC), as a second [...] Read more.
(1) Background: A molecular hybridization docking approach was employed to develop and detect a new category of naturally activated compounds against Culex pipiens as acetylcholinesterase inhibitors via designing a one-pot multicomponent nano-delivery system. (2) Methods: A nanostructure lipid carrier (NLC), as a second generation of solid lipid nanoparticles, was used as a carrier to deliver the active components of curcumin (Cur), geraniol (G), and linalool (L) in one nanoformulation after studying their applicability in replacing the co-crystallized ligand imidacloprid. (3) Results: The prepared nanostructure showed spherical-shaped, polydisperse particles ranging in size from 50 nm to 300 nm, as found using a transmission electron microscope. Additionally, dynamic light scattering confirmed an average size of 169 nm and a highly stable dispersed solution, as indicated by the zeta potential (−38 mV). The prepared NLC-Cur-LG displayed competitive, high-malignancy insecticidal activity against fourth instar C. pipiens with an elevated rate of death of 0.649 µg/mL. The treatment, due to the prepared nanostructure, affects oxidative stress enzymes, e.g., hydrogen peroxide (4 ppm), superoxide dismutase (SOD) (0.03 OD/mg), and protein carbonyl (0.08 OD/mg), and there are observable upward and downward fluctuations when using different concentrations of NLC-Cur-LG, suggesting significant problems in its foreseeable insecticidal activity. The acetylcholinesterase activity was assessed by an enzyme inhibition assay, and strengthened inhibition occurred due to the encapsulated NLCs (IC50 = 1.95 µg/mL). An investigation of the gene expression by Western blotting, due to treatment with NLC-Cur-LG, revealed a severe reduction of nearly a quarter of what was seen in the untreated group. As a preliminary safety step, the nanoformulation’s toxicity against normal cell lines was tested, and a reassuring result was obtained of IC50 = 158.1 µg/mL for the normal lung fibroblast cell line. (4) Conclusions: the synthesized nanoformulation, NLC-Cur-LG, is a useful insecticide in field conditions. Full article
(This article belongs to the Special Issue Natural Products as Insecticidal Agents)
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15 pages, 6998 KiB  
Article
Development of Anthocyanin-Rich Gel Beads from Colored Rice for Encapsulation and In Vitro Gastrointestinal Digestion
by Siriwan Soiklom, Wipada Siri-anusornsak, Krittaya Petchpoung and Wiratchanee Kansandee
Molecules 2024, 29(1), 270; https://doi.org/10.3390/molecules29010270 - 04 Jan 2024
Viewed by 813
Abstract
Colored rice anthocyanins are water-soluble natural pigments that can be used as an active ingredient in healthy food and pharmaceutical products. However, anthocyanin utilization is limited because of its instability. This work produced anthocyanin-rich gel beads from colored rice using a modified ionotropic [...] Read more.
Colored rice anthocyanins are water-soluble natural pigments that can be used as an active ingredient in healthy food and pharmaceutical products. However, anthocyanin utilization is limited because of its instability. This work produced anthocyanin-rich gel beads from colored rice using a modified ionotropic gelation technique for encapsulation, and their efficacy was studied in vitro in the gastrointestinal tract. In total, 15 colored rice samples of three types (whole grain rice, ground rice, and ground germinated rice) were screened to identify the highest anthocyanin content. The anthocyanin content of the whole grain rice was significantly (p < 0.05) higher than it was in the ground and ground germinated rice. The sample with the highest anthocyanin content (1062.7 µg/g) was the black glutinous rice grain from Phrae, chosen based on its anthocyanin-rich crude extract. A new formula using a modified ionotropic gelation technique was prepared for the inclusion of the extract in gel beads. The results indicated that the incorporation of oil and wax significantly increased the encapsulation efficiency of the gel beads (% EE value of 85.43%) and improved the bioavailability of the active ingredient. Moreover, after simulated digestion, the release of anthocyanin and total phenolic content occurred more than five times. Scanning electron microscopy revealed that the surface of the gel beads was smooth. Furthermore, the presence of polyphenols and polysaccharides in the gel beads was confirmed using FTIR. The oil-wax-incorporated, anthocyanin-rich gel beads could be implemented for antioxidant delivery into the gastrointestinal tract to further improve healthy food and nutraceutical products. Full article
(This article belongs to the Special Issue Current Emerging Trends of Extraction and Encapsulation in Food)
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13 pages, 1235 KiB  
Article
Chemical Composition, Functional and Antioxidant Properties of Dietary Fibre Extracted from Lemon Peel after Enzymatic Treatment
by Vanesa Núñez-Gómez, Marta San Mateo, Rocío González-Barrio and Mª Jesús Periago
Molecules 2024, 29(1), 269; https://doi.org/10.3390/molecules29010269 - 04 Jan 2024
Viewed by 927
Abstract
Lemon peel represents an interesting by-product owing to its content of dietary fibre (DF) and (poly)phenols, which is of great importance for its valorisation. Hence, the objective of this study was to characterise the DF, total phenolic content (TPC), and antioxidant capacity of [...] Read more.
Lemon peel represents an interesting by-product owing to its content of dietary fibre (DF) and (poly)phenols, which is of great importance for its valorisation. Hence, the objective of this study was to characterise the DF, total phenolic content (TPC), and antioxidant capacity of two lemon-peel-derived ingredients using two different methods (drying with warm air and enzymatic hydrolysis with pectinesterase). The analysis included a DF assessment, followed by neutral sugars characterisation through GC-FID and uronic acids determination via colorimetry. Subsequently, TPC and antioxidant capacity using the FRAP method were quantified through spectrophotometry. The swelling capacity (SWC), water retention capacity (WRC), and fat absorption capacity (FAC) were also determined as functional properties. It was observed that pectinesterase treatment led to a reduction in soluble DF and an increase in insoluble DF. This treatment also affected the pectin structure, thereby diminishing its ability to absorb water and fat within its matrix. The TPC was also reduced, resulting in a decrease in antioxidant capacity. Conversely, employing warm air exhibited a noteworthy increase in antioxidant capacity. This underscores its crucial contribution to the valorisation of lemon peel, not only by diminishing the environmental impact but also by enabling the acquisition of fibre ingredients with a noteworthy antioxidant capacity. Full article
(This article belongs to the Special Issue Antioxidant Activity of Foods and Natural Products)
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8 pages, 780 KiB  
Communication
Borane-Pyridine: An Efficient Catalyst for Direct Amidation
by P. Veeraraghavan Ramachandran, Aman Singh, Harry Walker and Henry J. Hamann
Molecules 2024, 29(1), 268; https://doi.org/10.3390/molecules29010268 - 04 Jan 2024
Viewed by 1136
Abstract
Borane-pyridine acts as an efficient (5 mol%) liquid catalyst, providing improved solubility for the direct amidation of a wide range of aromatic and aliphatic carboxylic acids and amines to form secondary and tertiary carboxamides. Tolerance of potentially incompatible halo, nitro, and alkene functionalities [...] Read more.
Borane-pyridine acts as an efficient (5 mol%) liquid catalyst, providing improved solubility for the direct amidation of a wide range of aromatic and aliphatic carboxylic acids and amines to form secondary and tertiary carboxamides. Tolerance of potentially incompatible halo, nitro, and alkene functionalities has been demonstrated. Full article
(This article belongs to the Special Issue Synthetic Transformations of Amides and Esters in Organic Synthesis)
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14 pages, 2350 KiB  
Review
DNA-Based Fluorescent Nanoprobe for Cancer Cell Membrane Imaging
by Xiaoqiao Wu, Xinjia Shuai, Kunhan Nie, Jing Li, Lin Liu, Lijuan Wang, Chengzhi Huang and Chunmei Li
Molecules 2024, 29(1), 267; https://doi.org/10.3390/molecules29010267 - 04 Jan 2024
Viewed by 1233
Abstract
As an important barrier between the cytoplasm and the microenvironment of the cell, the cell membrane is essential for the maintenance of normal cellular physiological activities. An abnormal cell membrane is a crucial symbol of body dysfunction and the occurrence of variant diseases; [...] Read more.
As an important barrier between the cytoplasm and the microenvironment of the cell, the cell membrane is essential for the maintenance of normal cellular physiological activities. An abnormal cell membrane is a crucial symbol of body dysfunction and the occurrence of variant diseases; therefore, the visualization and monitoring of biomolecules associated with cell membranes and disease markers are of utmost importance in revealing the biological functions of cell membranes. Due to their biocompatibility, programmability, and modifiability, DNA nanomaterials have become increasingly popular in cell fluorescence imaging in recent years. In addition, DNA nanomaterials can be combined with the cell membrane in a specific manner to enable the real-time imaging of signal molecules on the cell membrane, allowing for the real-time monitoring of disease occurrence and progression. This article examines the recent application of DNA nanomaterials for fluorescence imaging on cell membranes. First, we present the conditions for imaging DNA nanomaterials in the cell membrane microenvironment, such as the ATP, pH, etc. Second, we summarize the imaging applications of cell membrane receptors and other molecules. Finally, some difficulties and challenges associated with DNA nanomaterials in the imaging of cell membranes are presented. Full article
(This article belongs to the Section Analytical Chemistry)
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1 pages, 132 KiB  
Correction
Correction: Blanco et al. Synthesis and Characterization of [Fe(Htrz)2(trz)](BF4)] Nanocubes. Molecules 2022, 27, 1213
by Alexis A. Blanco, Daniel J. Adams, Jason D. Azoulay, Leonard Spinu and John B. Wiley
Molecules 2024, 29(1), 266; https://doi.org/10.3390/molecules29010266 - 04 Jan 2024
Viewed by 413
Abstract
After publication of the paper [...] Full article
11 pages, 218 KiB  
Editorial
Radioactive Molecules 2021–2022
by Svend Borup Jensen
Molecules 2024, 29(1), 265; https://doi.org/10.3390/molecules29010265 - 04 Jan 2024
Viewed by 647
Abstract
In 2020 I was invited to write an editorial review on radioactive molecules published in Molecules in 2019 and 2020 [...] Full article
(This article belongs to the Special Issue Radiopharmaceuticals)
13 pages, 3907 KiB  
Article
DSC, TGA-FTIR and FTIR Assisted by Chemometric Factor Analysis and PXRD in Assessing the Incompatibility of the Antiviral Drug Arbidol Hydrochloride with Pharmaceutical Excipients
by Barbara Rojek, Agata Bartyzel, Wiesław Sawicki and Alina Plenis
Molecules 2024, 29(1), 264; https://doi.org/10.3390/molecules29010264 - 04 Jan 2024
Cited by 1 | Viewed by 910
Abstract
Arbidol hydrochloride is an antiviral product widely used in Russia and China for the treatment of, among other diseases, influenza. In recent years, it has turned out to be highly effective against COVID-19. However, there is little knowledge about its physicochemical properties and [...] Read more.
Arbidol hydrochloride is an antiviral product widely used in Russia and China for the treatment of, among other diseases, influenza. In recent years, it has turned out to be highly effective against COVID-19. However, there is little knowledge about its physicochemical properties and its behavior in the presence of various pharmaceutical excipients, which could be useful in the development of new preparations by increasing its solubility and bioavailability. For this reason, binary mixtures composed of arbidol hydrochloride and selected pharmaceutical excipients such as chitosan, polyvinylpyrrolione K-30 and magnesium stearate were prepared and subjected to differential scanning calorimetry (DSC), thermogravimetry combined with Fourier transform infrared spectrometry (TGA-FTIR) and Fourier transform infrared spectrometry (FTIR) analyses. In order to obtain clarity in the interpretation of the outcomes, chemometric calculations with factor analysis (FA) were used. Additionally, a powder X-ray diffraction (PXRD) and an intrinsic dissolution rate study were performed for arbidol hydrochloride itself and in the presence of excipients. As a result of the study, it was revealed that arbidol hydrochloride may undergo polymorphic transformations and be incompatible with chitosan and magnesium stearate. However, mixing arbidol hydrochloride with polyvinylpyrrolidone K-30 guarantees the obtaining of durable and safe pharmaceutical preparations. Full article
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18 pages, 2074 KiB  
Article
Isolation and Purification of Protamine from the Cultured Takifugu flavidus and Its Physicochemical Properties
by Shuji Liu, Yue Zhang, Yihui Chen, Yongchang Su, Bei Chen, Yin Wang, Min Xu, Kun Qiao, Shuigen Li and Zhiyu Liu
Molecules 2024, 29(1), 263; https://doi.org/10.3390/molecules29010263 - 04 Jan 2024
Viewed by 883
Abstract
Protamine is a cationic peptide derived from fish sperm and has several important functional properties: antibacterial properties, acting as a carrier for injectable insulin and as a heparin antagonist, combatting fatigue, etc. Thus, it has been widely used in medicinal applications and food [...] Read more.
Protamine is a cationic peptide derived from fish sperm and has several important functional properties: antibacterial properties, acting as a carrier for injectable insulin and as a heparin antagonist, combatting fatigue, etc. Thus, it has been widely used in medicinal applications and food products. Cultured Takifugu flavidus is a type of pufferfish with a delicious taste that is popular in China, and its production is increasing significantly. Therefore, protamine was extracted via acid extraction from the sperm of Takifugu flavidus and further isolated and purified via sephadex gel chromatography, ion exchange chromatography, and desalination chromatography. Furthermore, the physicochemical properties of protamine were investigated. The results showed that the sperm of the cultured T. flavidus were non-toxic, and the extracted and purified protamine had high contents of arginine (36.90%) and lysine (27.02%), respectively. The secondary structure of protamine was mainly β-folded and irregularly curled. Additionally, protamine exhibited high thermal stability with a denaturation temperature of 176 °C. This study would provide a theoretical basis for the structural analysis, bioactivity, and resource development of pufferfish protamine and help to promote the development of the pufferfish industry. Full article
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13 pages, 3406 KiB  
Article
Gender Control of Mouse Embryos by Activation of TLR7/8 on X Sperm via Ligands dsRNA-40 and dsRNA-DR
by Yunfei Hou, Jingfeng Peng, Linjun Hong, Zhenfang Wu, Enqin Zheng and Zicong Li
Molecules 2024, 29(1), 262; https://doi.org/10.3390/molecules29010262 - 04 Jan 2024
Viewed by 1071
Abstract
Gender control technologies are promising for enhancing the production efficiency of the farm animal industry, and preventing sex-linked hereditary diseases in humans. It has been shown that the X sperm of mammalian animals specifically expresses X-chromosome-derived toll-like receptor 7/8 (TLR7/8), and the activation [...] Read more.
Gender control technologies are promising for enhancing the production efficiency of the farm animal industry, and preventing sex-linked hereditary diseases in humans. It has been shown that the X sperm of mammalian animals specifically expresses X-chromosome-derived toll-like receptor 7/8 (TLR7/8), and the activation of TLR7/8 on the X sperm by their agonist, R848, can separate X and Y sperm via the specific inhibition of X sperm motility. The use of R848-preselected sperm for fertilization resulted in sex-ratio-skewed embryos or offspring. In this study, we aimed to investigate whether two other TLR7/8 ligands, double-stranded RNA-40 (dsRNA-40) and double-stranded RNA-DR (dsRNA-DR), are also effective in the separation of mouse X and Y sperm and the subsequent generation of gender-ratio-skewed in vitro fertilization (IVF) embryos. Our results indicated that cholesterol modification significantly enhances the transfection of dsRNA-40 and dsRNA-DR into sperm cells. dsRNA-40 and dsRNA-DR incubation with mouse sperm could separate X and Y sperm by the specific suppression of X sperm motility by decreasing its ATP level and mitochondrial activity. The use of a dsRNA-40- or dsRNA-DR-preselected upper layer of sperm, which predominantly contains high-motility Y sperm, for IVF caused a male-biased sex ratio shift in resulting embryos (with 65.90–74.93% of embryos being male). This study develops a simple new method for the efficient separation of mammalian X and Y sperm, enabling the selective production of male or female progenies. Full article
(This article belongs to the Section Bioactive Lipids)
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16 pages, 7408 KiB  
Article
Paeonol Attenuates Atherosclerosis by Inhibiting Vascular Smooth Muscle Cells Senescence via SIRT1/P53/TRF2 Signaling Pathway
by Min Zhou, Xiaolin Ma, Menglong Gao, Hongfei Wu, Yarong Liu, Xiaoyan Shi and Min Dai
Molecules 2024, 29(1), 261; https://doi.org/10.3390/molecules29010261 - 04 Jan 2024
Viewed by 875
Abstract
Atherosclerosis is a chronic inflammatory disease leading to various vascular diseases. Vascular smooth muscle cell (VSMC) senescence promotes atherosclerotic inflammation and the formation of plaque necrosis core, in part through telomere damage mediated by a high-fat diet. Our previous research found that paeonol, [...] Read more.
Atherosclerosis is a chronic inflammatory disease leading to various vascular diseases. Vascular smooth muscle cell (VSMC) senescence promotes atherosclerotic inflammation and the formation of plaque necrosis core, in part through telomere damage mediated by a high-fat diet. Our previous research found that paeonol, a potential anti-inflammatory agent extracted from Cortex Moutan, could significantly improve VSMCs dysfunction. However, the impact of paeonol on the senescence of VSMCs remains unexplored. This study presents the protective effects of paeonol on VSMCs senescence, and its potential activity in inhibiting the progression of atherosclerosis in vivo and in vitro. Sirtuin 1 (SIRT1) is a nuclear deacetylase involved in cell proliferation, senescence, telomere damage, and inflammation. Here, SIRT1 was identified as a potential target of paeonol having anti-senescence and anti-atherosclerosis activity. Mechanistic studies revealed that paeonol binds directly to SIRT1 and then activates the SIRT1/P53/TRF2 pathway to inhibit VSMCs senescence. Our results suggested that SIRT1-mediated VSMCs senescence is a promising druggable target for atherosclerosis, and that pharmacological modulation of the SIRT1/P53/TRF2 signaling pathway by paeonol is of potential benefit for patients with atherosclerosis. Full article
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10 pages, 3622 KiB  
Communication
Incorporation of Diketopyrrolopyrrole into Polythiophene for the Preparation of Organic Polymer Transistors
by Shiwei Ren, Zhuoer Wang, Wenqing Zhang, Abderrahim Yassar, Jinyang Chen and Sichun Wang
Molecules 2024, 29(1), 260; https://doi.org/10.3390/molecules29010260 - 03 Jan 2024
Viewed by 825
Abstract
Polythiophene, as a class of potential electron donor units, is widely used in organic electronics such as transistors. In this work, a novel polymeric material, PDPPTT-FT, was prepared by incorporating the electron acceptor unit into the polythiophene system. The incorporation of the DPP [...] Read more.
Polythiophene, as a class of potential electron donor units, is widely used in organic electronics such as transistors. In this work, a novel polymeric material, PDPPTT-FT, was prepared by incorporating the electron acceptor unit into the polythiophene system. The incorporation of the DPP molecule assists in improving the solubility of the material and provides a convenient method for the preparation of field effect transistors via subsequent solution processing. The introduction of fluorine atoms forms a good intramolecular conformational lock, and theoretical calculations show that the structure displays excellent co-planarity and regularity. Grazing incidence wide-angle X-ray (GIWAXS) results indicate that the PDPPTT-FT is highly crystalline, which facilitates carrier migration within and between polymer chains. The hole mobility of this π-conjugated material is as high as 0.30 cm2 V−1 s−1 in organic transistor measurements, demonstrating the great potential of this polymer material in the field of optoelectronics. Full article
(This article belongs to the Special Issue π-Conjugated Functional Molecules & Polymers)
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16 pages, 1404 KiB  
Article
Palladium-Catalyzed β-C(sp3)–H Bond Arylation of Tertiary Aldehydes Facilitated by 2-Pyridone Ligands
by Ziting Xu, Zhi Li, Chong Liu, Ke Yang and Haibo Ge
Molecules 2024, 29(1), 259; https://doi.org/10.3390/molecules29010259 - 03 Jan 2024
Viewed by 726
Abstract
2-Pyridone ligand-facilitated palladium-catalyzed direct C–H bond functionalization via the transient directing group strategy has become an attractive topic. Here, we report a Pd-catalyzed direct β-C(sp3)–H arylation reaction of tertiary aliphatic aldehydes by using an α-amino acid as a transient [...] Read more.
2-Pyridone ligand-facilitated palladium-catalyzed direct C–H bond functionalization via the transient directing group strategy has become an attractive topic. Here, we report a Pd-catalyzed direct β-C(sp3)–H arylation reaction of tertiary aliphatic aldehydes by using an α-amino acid as a transient directing group in combination with a 2-pyridone ligand. Full article
(This article belongs to the Section Organic Chemistry)
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23 pages, 1480 KiB  
Review
A Review: Subcritical Water Extraction of Organic Pollutants from Environmental Matrices
by Erdal Yabalak, Mohammad Tahir Aminzai, Ahmet Murat Gizir and Yu Yang
Molecules 2024, 29(1), 258; https://doi.org/10.3390/molecules29010258 - 03 Jan 2024
Cited by 1 | Viewed by 1311
Abstract
Most organic pollutants are serious environmental concerns globally due to their resistance to biological, chemical, and photolytic degradation. The vast array of uses of organic compounds in daily life causes a massive annual release of these substances into the air, water, and soil. [...] Read more.
Most organic pollutants are serious environmental concerns globally due to their resistance to biological, chemical, and photolytic degradation. The vast array of uses of organic compounds in daily life causes a massive annual release of these substances into the air, water, and soil. Typical examples of these substances include pesticides, polychlorinated biphenyls (PCBs), and polycyclic aromatic hydrocarbons (PAHs). Since they are persistent and hazardous in the environment, as well as bio-accumulative, sensitive and efficient extraction and detection techniques are required to estimate the level of pollution and assess the ecological consequences. A wide variety of extraction methods, including pressurized liquid extraction, microwave-assisted extraction, supercritical fluid extraction, and subcritical water extraction, have been recently used for the extraction of organic pollutants from the environment. However, subcritical water has proven to be the most effective approach for the extraction of a wide range of organic pollutants from the environment. In this review article, we provide a brief overview of the subcritical water extraction technique and its application to the extraction of PAHs, PCBs, pesticides, pharmaceuticals, and others form environmental matrices. Furthermore, we briefly discuss the influence of key extraction parameters, such as extraction time, pressure, and temperature, on extraction efficiency and recovery. Full article
(This article belongs to the Special Issue Advances in Green Analytical Chemistry)
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27 pages, 4680 KiB  
Review
Research Progress in Enzyme Biofuel Cells Modified Using Nanomaterials and Their Implementation as Self-Powered Sensors
by Lili Cao, Juan Chen, Jingyu Pang, Hongjie Qu, Jiaren Liu and Jinling Gao
Molecules 2024, 29(1), 257; https://doi.org/10.3390/molecules29010257 - 03 Jan 2024
Cited by 1 | Viewed by 1032
Abstract
Enzyme biofuel cells (EBFCs) can convert chemical or biochemical energy in fuel into electrical energy, and therefore have received widespread attention. EBFCs have advantages that traditional fuel cells cannot match, such as a wide range of fuel sources, environmental friendliness, and mild reaction [...] Read more.
Enzyme biofuel cells (EBFCs) can convert chemical or biochemical energy in fuel into electrical energy, and therefore have received widespread attention. EBFCs have advantages that traditional fuel cells cannot match, such as a wide range of fuel sources, environmental friendliness, and mild reaction conditions. At present, research on EBFCs mainly focuses on two aspects: one is the use of nanomaterials with excellent properties to construct high-performance EBFCs, and the other is self-powered sensors based on EBFCs. This article reviews the applied nanomaterials based on the working principle of EBFCs, analyzes the design ideas of self-powered sensors based on enzyme biofuel cells, and looks forward to their future research directions and application prospects. This article also points out the key properties of nanomaterials in EBFCs, such as electronic conductivity, biocompatibility, and catalytic activity. And the research on EBFCs is classified according to different research goals, such as improving battery efficiency, expanding the fuel range, and achieving self-powered sensors. Full article
(This article belongs to the Special Issue Materials in Fuel Cell: Design and Electrochemical Application)
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23 pages, 6315 KiB  
Review
Recent Advances in Organometallic NIR Iridium(III) Complexes for Detection and Therapy
by Shaozhen Jing, Xiaolei Wu, Dou Niu, Jing Wang, Chung-Hang Leung and Wanhe Wang
Molecules 2024, 29(1), 256; https://doi.org/10.3390/molecules29010256 - 03 Jan 2024
Viewed by 1199
Abstract
Iridium(III) complexes are emerging as a promising tool in the area of detection and therapy due to their prominent photophysical properties, including higher photostability, tunable phosphorescence emission, long-lasting phosphorescence, and high quantum yields. In recent years, much effort has been devoted to develop [...] Read more.
Iridium(III) complexes are emerging as a promising tool in the area of detection and therapy due to their prominent photophysical properties, including higher photostability, tunable phosphorescence emission, long-lasting phosphorescence, and high quantum yields. In recent years, much effort has been devoted to develop novel near-infrared (NIR) iridium(III) complexes to improve signal-to-noise ratio and enhance tissue penetration. In this review, we summarize different classes of organometallic NIR iridium(III) complexes for detection and therapy, including cyclometalated ligand-enabled NIR iridium(III) complexes and NIR-dye-conjugated iridium(III) complexes. Moreover, the prospects and challenges for organometallic NIR iridium(III) complexes for targeted detection and therapy are discussed. Full article
(This article belongs to the Special Issue Targeted Functional Probe: Current Research Trends and Applications)
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20 pages, 5962 KiB  
Article
Thioxanthone-Based Siloxane Photosensitizer for Cationic/Radical Photopolymerization and Photoinduced Sol–Gel Reactions
by Thi-Thanh-Tam Nguyen, Louise Breloy, Agustin Rios De Anda, Hassan Hayek, Annalisa Chiappone, Jean-Pierre Malval, Daniel Grande and Davy-Louis Versace
Molecules 2024, 29(1), 255; https://doi.org/10.3390/molecules29010255 - 03 Jan 2024
Viewed by 746
Abstract
In this investigation, a multifunctional visible-light TX-based photosensitizer containing a siloxane moiety (TXS) was designed with a good overall yield of 54%. The addition of a siloxane moiety enabled the incorporation of a TX photosensitizer into a siloxane network by photoinduced sol–gel chemistry, [...] Read more.
In this investigation, a multifunctional visible-light TX-based photosensitizer containing a siloxane moiety (TXS) was designed with a good overall yield of 54%. The addition of a siloxane moiety enabled the incorporation of a TX photosensitizer into a siloxane network by photoinduced sol–gel chemistry, thus avoiding its release. Both liquid 1H and solid-state 29Si NMR measurements undeniably confirmed the formation of photoacids resulting from the photolysis of the TXS/electron acceptor molecule (Iodonium salt), which promoted the photoinduced hydrolysis/condensation of the trimethoxysilane groups of TXS, with a high degree of condensation of its inorganic network. Notably, the laser flash photolysis, fluorescence, and electron paramagnetic resonance spin-trapping (EPR ST) experiments demonstrated that TXS could react with Iod through an electron transfer reaction through its excited states, leading to the formation of radical initiating species. Interestingly, the TXS/Iod was demonstrated to be an efficient photoinitiating system for free-radical (FRP) and cationic (CP) polymerization under LEDs@385, 405, and 455 nm. In particular, whatever the epoxy monomer mixtures used, remarkable final epoxy conversions were achieved up to 100% under air. In this latter case, we demonstrated that both the photoinduced sol–gel process (hydrolysis of trimethoxysilane groups) and the cationic photopolymerization occurred simultaneously. Full article
(This article belongs to the Special Issue Electrocatalysis/Photocatalysis in Organic Synthesis)
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19 pages, 6503 KiB  
Review
Recent Advances in Functional Materials for Optical Data Storage
by Dihua Dai, Yong Zhang, Siwen Yang, Weicheng Kong, Jie Yang and Jijun Zhang
Molecules 2024, 29(1), 254; https://doi.org/10.3390/molecules29010254 - 03 Jan 2024
Viewed by 863
Abstract
In the current data age, the fundamental research related to optical applications has been rapidly developed. Countless new-born materials equipped with distinct optical properties have been widely explored, exhibiting tremendous values in practical applications. The optical data storage technique is one of the [...] Read more.
In the current data age, the fundamental research related to optical applications has been rapidly developed. Countless new-born materials equipped with distinct optical properties have been widely explored, exhibiting tremendous values in practical applications. The optical data storage technique is one of the most significant topics of the optical applications, which is considered as the prominent solution for conquering the challenge of the explosive increase in mass data, to achieve the long-life, low-energy, and super high-capacity data storage. On this basis, our review outlines the representative reports for mainly introducing the functional systems based on the newly established materials applied in the optical storage field. According to the material categories, the representative functional systems are divided into rare-earth doped nanoparticles, graphene, and diarylethene. In terms of the difference of structural features and delicate properties among the three materials, the application in optical storage is comprehensively illustrated in the review. Meanwhile, the potential opportunities and critical challenges of optical storage are also discussed in detail. Full article
(This article belongs to the Special Issue Research on the Crystal Structures and Properties of Energy Materials)
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11 pages, 2097 KiB  
Article
Spinetoram-Induced Potential Neurotoxicity through Autophagy Mediated by Mitochondrial Damage
by Fan Chen, Jin Lu, Meng Li, Junwu Yang, Wenping Xu, Xufeng Jiang and Yang Zhang
Molecules 2024, 29(1), 253; https://doi.org/10.3390/molecules29010253 - 03 Jan 2024
Viewed by 806
Abstract
Spinetoram is an important semi-synthetic insecticide extensively applied in agriculture. It is neurotoxic to insects, primarily by acting on acetylcholine receptors (nAChRs). However, few studies have examined the neurotoxicity of spinetoram in human beings. In this study, various concentrations (5, 10, 15, and [...] Read more.
Spinetoram is an important semi-synthetic insecticide extensively applied in agriculture. It is neurotoxic to insects, primarily by acting on acetylcholine receptors (nAChRs). However, few studies have examined the neurotoxicity of spinetoram in human beings. In this study, various concentrations (5, 10, 15, and 20 μM) of spinetoram were employed to expose SH-SY5Y cells in order to study the neurotoxic effects of spinetoram. The results showed that spinetoram exposure markedly inhibited cell viability and induced oxidative stress. It also induced mitochondrial membrane potential collapse (ΔΨm), and then caused a massive opening of the mitochondrial permeability transition pore (mPTP), a decrease in ATP synthesis, and Ca2+ overloading. Furthermore, spinetoram exposure induced cellular autophagy, as evidenced by the formation of autophagosomes, the conversion of LC3-I into LC3-II, down-regulation of p62, and up-regulation of beclin-1. In addition, we observed that p-mTOR expression decreased, while p-AMPK expression increased when exposed to spinetoram, indicating spinetoram triggered AMPK/mTOR-mediated autophagy. Complementarily, the effect of spinetoram on neurobehavior was studied using the zebrafish model. After being exposed to different concentrations (5, 10, and 20 μg/mL) of spinetoram, zebrafish showed neurobehavioral irregularities, such as reduced frequency of tail swings and spontaneous movements. Similarly, autophagy was also observed in zebrafish. In conclusion, spinetoram exposure produced potential neurotoxicity through autophagy mediated by mitochondrial damage. The experimental data and results of the neurotoxicity study of spinetoram provided above are intended to serve as reference for its safety assessment. Full article
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0 pages, 1229 KiB  
Article
Development of a QuEChERS–HPLC–FLD Procedure for the Simultaneous Detection of Residues of Florfenicol, Its Metabolite Florfenicol Amine, and Three Fluoroquinolones in Eggs
by Yawen Guo, Lu Hong, Pengfei Gao, Shuyu Liu, Yali Zhu, Xing Xie, Genxi Zhang and Kaizhou Xie
Molecules 2024, 29(1), 252; https://doi.org/10.3390/molecules29010252 - 03 Jan 2024
Cited by 1 | Viewed by 686
Abstract
A method utilizing high-performance liquid chromatography-fluorescence detection (HPLC–FLD) has been developed and refined for the simultaneous detection of florfenicol (FF) and its metabolite florfenicol amine (FFA) along with three fluoroquinolone (ciprofloxacin (CIP), enrofloxacin (ENR), and sarafloxacin (SAR)) residues in different parts of eggs [...] Read more.
A method utilizing high-performance liquid chromatography-fluorescence detection (HPLC–FLD) has been developed and refined for the simultaneous detection of florfenicol (FF) and its metabolite florfenicol amine (FFA) along with three fluoroquinolone (ciprofloxacin (CIP), enrofloxacin (ENR), and sarafloxacin (SAR)) residues in different parts of eggs (whole egg, egg yolk, and egg albumen). The QuEChERS (“Quick, easy, cheap, effective, rugged, and safe”) procedure utilized 0.1 M disodium EDTA solution, water, and acetonitrile as extractants; sodium sulfate, sodium chloride, and trisodium citrate as dehydrating salts; and N-propylethylenediamine and C18 as adsorbents. A dual-channel FLD method was utilized to analyze the target compounds using an XBridge BEH C18 chromatographic column (4.6 mm × 150 mm, 5 μm). The mobile phase was employed isocratically using a solution of 0.01 M sodium dihydrogen phosphate, 0.005 M sodium dodecyl sulfate, and 0.1% triethylamine (pH 4.8) in combination with acetonitrile at a ratio of 65:35 (V/V). The limits of detection (LOD) and quantification (LOQ) of the analytes ranged from 0.03 to 1.5 µg/kg and from 0.1 to 5.0 µg/kg, respectively. The recoveries of the analytes in the blank egg samples ranged from 71.9% to 94.8% when reference standard concentrations of the LOQ, half of the maximum residual limit (MRL), MRL, and twice the MRL were added. The parameters of the presented protocol were validated and subsequently applied to the analysis of real samples, demonstrating the applicability and reliability of the method. Full article
(This article belongs to the Special Issue Recent Advances in Food Analysis)
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13 pages, 4743 KiB  
Article
11B NMR of the Morphological Evolution of Traditional Chinese Medicine Borax
by Qiulin Li, Yawen Yang, Qingfeng Wang, Xiang Han, Junfeng Zhu, Nan Zhang, Qiuhong Wang, Kanshe Li, Pin Gong and Fuxin Chen
Molecules 2024, 29(1), 251; https://doi.org/10.3390/molecules29010251 - 03 Jan 2024
Viewed by 884
Abstract
This article applies nuclear magnetic resonance technology to the study of boron-containing traditional Chinese medicine, in order to explore the morphological evolution of boron elements in traditional Chinese medicine. Borax is a traditional Chinese medicine with anti-corrosion, anti-inflammatory, antibacterial, and anticonvulsant effects. It [...] Read more.
This article applies nuclear magnetic resonance technology to the study of boron-containing traditional Chinese medicine, in order to explore the morphological evolution of boron elements in traditional Chinese medicine. Borax is a traditional Chinese medicine with anti-corrosion, anti-inflammatory, antibacterial, and anticonvulsant effects. It is made by boiling, removing stones, and drying borax minerals like borate salts. This article introduces an 11B nuclear magnetic resonance method for identifying and characterizing boron-containing compounds in TCM. We applied this technology to borax aqueous solutions in different chemical environments and found that with boron mixed in the form of SP2 hybridization in equilateral triangles and SP3 hybridization in equilateral tetrahedra, the pH changes in alkaline environments significantly affected the ratio of the two. At the same time, it was found that in addition to the raw material peak, boron signals of other boron-containing compounds were also detected in 20 commercially available boron-containing TCM preparations. These new boron-containing compounds may be true pharmaceutical active ingredients, and adding them directly to the formula can improve quality and safety. This article describes the detection of 11B NMR in boron-containing traditional Chinese medicine preparations. It is simple, non-destructive, and can provide chemical fingerprint studies for boron-containing traditional Chinese medicine. Full article
(This article belongs to the Special Issue Various Methods for Pharmaceutical Analysis Processes)
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13 pages, 3870 KiB  
Article
Synthesis of Bis(cyclic carbonates) from Epoxy Resin under Microwave Irradiation: The Structural Analysis and Evaluation of Thermal Properties
by Edyta Hebda, Jan Ozimek, Kinga Szołdrowska and Krzysztof Pielichowski
Molecules 2024, 29(1), 250; https://doi.org/10.3390/molecules29010250 - 03 Jan 2024
Viewed by 902
Abstract
This article describes the use of microwave irradiation in the synthesis of bis(cyclo carbonate) compounds (BCCs) in bulk (without solvent) from carbon dioxide capture using an epoxidized compound—a commercial epoxy resin—and compares this process to the conventional method. CO2 cycloaddition to epoxides [...] Read more.
This article describes the use of microwave irradiation in the synthesis of bis(cyclo carbonate) compounds (BCCs) in bulk (without solvent) from carbon dioxide capture using an epoxidized compound—a commercial epoxy resin—and compares this process to the conventional method. CO2 cycloaddition to epoxides is an ecological and efficient method for the formation of bis(cyclic carbonates). Moreover, the introduction of gas into the reaction mixture was carried out at atmospheric pressure with a controlled flow rate, which is advantageous from an economic point of view. Progressive structural changes and the presence of characteristic chemical groups were monitored using attenuated total reflectance infrared spectroscopy with Fourier transform. The obtained crude products were purified to obtain three fractions, which were subjected to detailed structural analysis using FT-IR and 13CNMR. The formation of the main product with two cyclic carbonates was confirmed. The presence of monomers, dimers and trimers in individual fractions as well as their thermal stability were determined, and the molecular masses in individual fractions were determined using gel permeation chromatography (GPC). Full article
(This article belongs to the Section Macromolecular Chemistry)
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