Molecules

10 pages, 1507 KiB

Open AccessArticle

Combining Functional Units to Design Organic Materials with Dynamic Room-Temperature Phosphorescence under Continuous Ultraviolet Irradiation

by Meng Liu, Zhiqiang Yang, Zhe Feng, Ningyuan Zhao, Ruihua Bian, Jinpu Wu, Qing Yang, Shuaiqiang Zhao, Haichao Liu and Bing Yang

Molecules 2024, 29(11), 2621; https://doi.org/10.3390/molecules29112621 (registering DOI) - 2 Jun 2024

Abstract

Developing materials with dynamic room-temperature phosphorescence (RTP) properties is crucial for expanding the applications of organic light-emitting materials. In this study, we designed and synthesized two novel RTP molecules by combining functional units, incorporating the folded unit thianthrene into the classic luminescent cores [...] Read more.

Developing materials with dynamic room-temperature phosphorescence (RTP) properties is crucial for expanding the applications of organic light-emitting materials. In this study, we designed and synthesized two novel RTP molecules by combining functional units, incorporating the folded unit thianthrene into the classic luminescent cores thioxanthone or anthraquinone to construct TASO and TA2O. In this combination, the TA unit contributes to the enhancement of spin–orbit coupling (SOC), while the luminescent core governs the triplet energy level. After the strategic manipulation of SOC using the thianthrene unit, the target molecules exhibited a remarkable enhancement in RTP performance. This strategy led to the successful development of TASO and TA2O molecules with outstanding dynamic RTP properties when exposed to continuous ultraviolet irradiation, a result that can be ascribed to their efficient RTP, improved absorption ability, and oxygen-sensitive RTP properties. Leveraging the oxygen-mediated ultraviolet-radiation-induced RTP enhancement in TASO-doped polymer films, we developed a novel time-resolved detection technique for identifying phase separation in polymers with varying oxygen permeability. This research offers a promising approach for constructing materials with dynamic RTP properties. Full article

(This article belongs to the Special Issue Recent Advances in Room Temperature Phosphorescence Materials)

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19 pages, 24666 KiB

Open AccessArticle

A Novel Low-Density-Biomass-Carbon Composite Coated with Carpet-Like and Dandelion-Shaped Rare-Earth-Doped Cobalt Ferrite for Enhanced Microwave Absorption

by Tao Shang, Hongwei Zhu, Yichun Shang, Ruixia Wu and Xuebing Zhao

Molecules 2024, 29(11), 2620; https://doi.org/10.3390/molecules29112620 (registering DOI) - 2 Jun 2024

Abstract

A novel low-density composite for the absorption of microwaves was prepared by loading La-doped spinel cobalt ferrite (La-CFO) onto biomass carbon (BC) derived from corn stalks using a hydrothermal method. This composite (La-CFO@BC) not only maintained the advantageous properties of low density and [...] Read more.

A novel low-density composite for the absorption of microwaves was prepared by loading La-doped spinel cobalt ferrite (La-CFO) onto biomass carbon (BC) derived from corn stalks using a hydrothermal method. This composite (La-CFO@BC) not only maintained the advantageous properties of low density and abundant porosity, but also exhibited a unique morphology, with La-CFO displaying a carpet-like structure interspersed with dandelion-shaped particles. The incorporation of La-CFO effectively tuned the electromagnetic parameters of the composite, thereby improving its impedance-matching attributes and its ability to absorb microwave radiation. At a frequency of 12.8 GHz for electromagnetic waves and with a thickness of 2.5 mm, La-CFO@BC demonstrated remarkable performance in microwave absorption, attaining a noteworthy minimum reflection (R_Lmin) of −53.2 dB and an effective absorption bandwidth (EAB) of 6.4 GHz. Furthermore, by varying the thickness of the La-CFO@BC within the range of 1.0 to 5.5 mm, the EAB could be broadened to 13.8 GHz, covering the entire X-band, the entire Ku-band, and a substantial portion of the C-band. This study demonstrated that La-CFO@BC was a promising alternative for electromagnetic wave attenuation, which offered superior performance in microwave absorption. Full article

(This article belongs to the Special Issue Exclusive Papers of the Editorial Board Members and Topical Advisory Panel Members of Molecules in the Section “Applied Chemistry”)

17 pages, 1336 KiB

Open AccessArticle

Comparative Analysis of Structural and Functional Properties of Dietary Fiber from Four Grape Varieties

by Yingying Chang, Ran An, Sijie Sun, Min Hou, Fuliang Han and Shiren Song

Molecules 2024, 29(11), 2619; https://doi.org/10.3390/molecules29112619 (registering DOI) - 2 Jun 2024

Abstract

Muscadine grapes are characterized by their large and abundant seeds and hard and thick skins that contain significant amounts of dietary fiber (DF). The current study investigated the chemical constituents, molecular architecture, and physicochemical attributes of DF derived from Muscadine grapes (Granny Val [...] Read more.

Muscadine grapes are characterized by their large and abundant seeds and hard and thick skins that contain significant amounts of dietary fiber (DF). The current study investigated the chemical constituents, molecular architecture, and physicochemical attributes of DF derived from Muscadine grapes (Granny Val and Alachua) and compared them with those derived from Shine Muscat and Kyoho. Using a combined enzymatic method, the total dietary fiber (TDF) was extracted and divided into two parts: soluble dietary fiber (SDF) and insoluble dietary fiber (IDF). TDF (mainly IDF, with a small fraction of SDF) was dominated by cellulose, followed by pectin and hemicellulose. In addition, Granny Val and Alachua had a significantly higher abundance of TDF and IDF compared with Shine Muscat and Kyoho. Moreover, Shine Muscat had significantly the highest abundance of SDF among the four grape varieties. Of note, IDF from Granny Val and Alachua exhibited a complex and dense texture on its surface, and notably outperformed Shine Muscat and Kyoho in terms of cholesterol, fatty acid, heavy metal adsorption, and antioxidant activity. Collectively, Muscadine grapes, i.e., Granny Val and Alachua in the current study, possessed elevated DF levels (predominantly IDF), and their enhanced bioactivity underscored their potential as a potential food ingredient for further use. Full article

14 pages, 4572 KiB

Open AccessArticle

Characterization of Syzygium cumini (L.) Skeels (Jamun Seed) Particulate Fillers for Their Potential Use in Polymer Composites

by Senthil Muthu Kumar Thiagamani, Chalasani Venkata Yaswanth, Chaganti Yashwanth, Thanh Mai Nguyen Tran, Senthilkumar Krishnasamy, Muthukumaran Azhaguchamy, Anish Khan, Mohamed Hashem and Hassan Fouad

Molecules 2024, 29(11), 2618; https://doi.org/10.3390/molecules29112618 (registering DOI) - 2 Jun 2024

Abstract

Syzgium cumini (L.) Skeels powder (S. cumini powder), also known as Jamun, is well-known for its various medical and health benefits. It is especially recognized for its antidiabetic and antioxidant properties. Thus, S. cumini powder is used in various industries, such as [...] Read more.

Syzgium cumini (L.) Skeels powder (S. cumini powder), also known as Jamun, is well-known for its various medical and health benefits. It is especially recognized for its antidiabetic and antioxidant properties. Thus, S. cumini powder is used in various industries, such as the food and cosmetic industries. In this work, the fruit of S. cumini was utilized; its seeds were extracted, dried, and ground into powder. The ground powders were subjected to various techniques such as physicochemical tests, Fourier transform infrared (FTIR) spectroscopy, X-ray diffractometry (XRD), particle size analysis, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and antioxidant analysis. From the physicochemical tests, it was revealed that the jamun seed filler contained cellulose (43.28%), hemicellulose (19.88%), lignin (23.28%), pectin (12.58%), and wax (0.98%). The FTIR analysis supported these results. For instance, a peak at 2889 cm⁻¹ was observed and associated with CH stretching, typically found in methyl and methylene groups, characteristic of cellulose and hemicellulose structures. The XRD results demonstrated that the crystallinity index of the jamun seed filler was 42.63%. The particle analysis indicated that the mean (average) particle size was 25.34 μm. This observation was ensured with SEM results. The EDX spectrum results showed the elemental composition of the fillers. Regarding thermal degradation, the jamun seed filler had the ability to withstand temperatures of up to 316.5 °C. Furthermore, endothermic and exothermic peaks were observed at 305 °C and 400 °C, respectively. Furthermore, the antioxidant property of the powder displayed a peak scavenging activity of 91.4%. This comprehensive study not only underscores the viability of S. cumini powder as a sustainable and effective particulate filler in polymer composites but also demonstrates its potential to enhance the mechanical properties of composites, thereby offering significant implications for the development of eco-friendly materials in various industrial applications. Full article

(This article belongs to the Special Issue Study on Extraction and Chemical Constituents of Natural Extracts)

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19 pages, 2565 KiB

Open AccessReview

Measurements of Nuclear Magnetic Shielding in Molecules

by Karol Jackowski and Marcin Wilczek

Molecules 2024, 29(11), 2617; https://doi.org/10.3390/molecules29112617 (registering DOI) - 2 Jun 2024

Abstract

The origin of nuclear magnetic shielding in diamagnetic molecules is discussed, pointing out various contributions to the shielding from electrons and the effects of intra- and intermolecular interactions. In NMR practice, chemical shifts are determined first as the measure of shielding in observed [...] Read more.

The origin of nuclear magnetic shielding in diamagnetic molecules is discussed, pointing out various contributions to the shielding from electrons and the effects of intra- and intermolecular interactions. In NMR practice, chemical shifts are determined first as the measure of shielding in observed samples. The descriptions of shielding and chemical shifts are not fully consistent. Gas phase studies permit the withdrawal of intermolecular contributions from shielding and obtaining the magnetic shielding data in isolated molecules. The shielding determination in molecules is possible using at least three methods delivering the reference shielding standards for selected nuclei. The known shielding of one magnetic nucleus can be transferred to other nuclei if the appropriate nuclear magnetic moments are available with satisfactory accuracy. It is possible to determine the nuclear magnetic dipole moments using the most advanced ab initio shielding calculations jointly with the NMR frequencies measurements for small-sized isolated molecules. Helium-3 gas is postulated as all the molecules’ primary and universal reference standard of shielding. It can be easily applied using common deuterium lock solvents as the secondary reference standards. The measurements of absolute shielding are available for everyone with the use of standard NMR spectrometers. Full article

(This article belongs to the Special Issue Applications and Method Developments of Nuclear Magnetic Resonance (NMR) Spectroscopy and Hyperpolarized Magnetic Resonance Techniques)

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32 pages, 10780 KiB

Open AccessArticle

Connecting GSK-3β Inhibitory Activity with IKK-β or ROCK-1 Inhibition to Target Tau Aggregation and Neuroinflammation in Alzheimer’s Disease—Discovery, In Vitro and In Cellulo Activity of Thiazole-Based Inhibitors

by Izabella Góral, Tomasz Wichur, Emilia Sługocka, Justyna Godyń, Natalia Szałaj, Paula Zaręba, Monika Głuch-Lutwin, Barbara Mordyl, Dawid Panek and Anna Więckowska

Molecules 2024, 29(11), 2616; https://doi.org/10.3390/molecules29112616 (registering DOI) - 2 Jun 2024

Abstract

GSK-3β, IKK-β, and ROCK-1 kinases are implicated in the pathomechanism of Alzheimer’s disease due to their involvement in the misfolding and accumulation of amyloid β (Aβ) and tau proteins, as well as inflammatory processes. Among these kinases, GSK-3β plays the most crucial role. [...] Read more.

GSK-3β, IKK-β, and ROCK-1 kinases are implicated in the pathomechanism of Alzheimer’s disease due to their involvement in the misfolding and accumulation of amyloid β (Aβ) and tau proteins, as well as inflammatory processes. Among these kinases, GSK-3β plays the most crucial role. In this study, we present compound 62, a novel, remarkably potent, competitive GSK-3β inhibitor (IC₅₀ = 8 nM, K_i = 2 nM) that also exhibits additional ROCK-1 inhibitory activity (IC₅₀ = 2.3 µM) and demonstrates anti-inflammatory and neuroprotective properties. Compound 62 effectively suppresses the production of nitric oxide (NO) and pro-inflammatory cytokines in the lipopolysaccharide-induced model of inflammation in the microglial BV-2 cell line. Furthermore, it shows neuroprotective effects in an okadaic-acid-induced tau hyperphosphorylation cell model of neurodegeneration. The compound also demonstrates the potential for further development, characterized by its chemical and metabolic stability in mouse microsomes and fair solubility. Full article

(This article belongs to the Section Medicinal Chemistry)

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35 pages, 1818 KiB

Open AccessReview

A Comprehensive Analysis of Diversity, Structure, Biosynthesis and Extraction of Biologically Active Tannins from Various Plant-Based Materials Using Deep Eutectic Solvents

by Maja Molnar, Martina Jakovljević Kovač and Valentina Pavić

Molecules 2024, 29(11), 2615; https://doi.org/10.3390/molecules29112615 (registering DOI) - 2 Jun 2024

Abstract

This paper explores the emerging subject of extracting tannins from various plant sources using deep eutectic solvents (DESs). Tannins are widely used in the food and feed industries as they have outstanding antioxidant qualities and greatly enhance the flavor and nutritional content of [...] Read more.

This paper explores the emerging subject of extracting tannins from various plant sources using deep eutectic solvents (DESs). Tannins are widely used in the food and feed industries as they have outstanding antioxidant qualities and greatly enhance the flavor and nutritional content of a wide range of food products. Organic solvents are frequently used in traditional extraction techniques, which raises questions about their safety for human health and the environment. DESs present a prospective substitute because of their low toxicity, adaptability, and environmental friendliness. The fundamental ideas supporting the application of DESs in the extraction of tannins from a range of plant-based materials frequently used in daily life are all well covered in this paper. Furthermore, this paper covers the impact of extraction parameters on the yield of extracted tannins, as well as possible obstacles and directions for future research in this emerging subject. This includes challenges such as high viscosity, intricated recovery of compounds, thermal degradation, and the occurrence of esterification. An extensive summary of the diversity, structure, biosynthesis, distribution, and roles of tannins in plants is given in this paper. Additionally, this paper thoroughly examines various bioactivities of tannins and their metabolites. Full article

(This article belongs to the Special Issue Bioactive Tannins in Foods and Feeds)

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24 pages, 1989 KiB

Open AccessReview

Zeolite and Neurodegenerative Diseases

by Stefan Panaiotov, Lyubka Tancheva, Reni Kalfin and Polina Petkova-Kirova

Molecules 2024, 29(11), 2614; https://doi.org/10.3390/molecules29112614 (registering DOI) - 2 Jun 2024

Abstract

Neurodegenerative diseases (NDs), characterized by progressive degeneration and death of neurons, are strongly related to aging, and the number of people with NDs will continue to rise. Alzheimer’s disease (AD) and Parkinson’s disease (PD) are the most common NDs, and the current treatments [...] Read more.

Neurodegenerative diseases (NDs), characterized by progressive degeneration and death of neurons, are strongly related to aging, and the number of people with NDs will continue to rise. Alzheimer’s disease (AD) and Parkinson’s disease (PD) are the most common NDs, and the current treatments offer no cure. A growing body of research shows that AD and especially PD are intricately related to intestinal health and the gut microbiome and that both diseases can spread retrogradely from the gut to the brain. Zeolites are a large family of minerals built by [SiO₄]⁴⁻ and [AlO₄]⁵⁻ tetrahedrons joined by shared oxygen atoms and forming a three-dimensional microporous structure holding water molecules and ions. The most widespread and used zeolite is clinoptilolite, and additionally, mechanically activated clinoptilolites offer further improved beneficial effects. The current review describes and discusses the numerous positive effects of clinoptilolite and its forms on gut health and the gut microbiome, as well as their detoxifying, antioxidative, immunostimulatory, and anti-inflammatory effects, relevant to the treatment of NDs and especially AD and PD. The direct effects of clinoptilolite and its activated forms on AD pathology in vitro and in vivo are also reviewed, as well as the use of zeolites as biosensors and delivery systems related to PD. Full article

(This article belongs to the Special Issue Zeolites and Porous Materials: Synthesis, Properties and Applications)

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15 pages, 3736 KiB

Open AccessArticle

Enrichment of Trypsin Inhibitor from Soybean Whey Wastewater Using Different Precipitating Agents and Analysis of Their Properties

by Yongsheng Zhou, Siyun Zhou, Cuiwen Lu, Yihao Zhang and Haiyan Zhao

Molecules 2024, 29(11), 2613; https://doi.org/10.3390/molecules29112613 (registering DOI) - 2 Jun 2024

Abstract

Recovering valuable active substances from the by-products of agricultural processing is a crucial concern for scientific researchers. This paper focuses on the enrichment of soybean trypsin inhibitor (STI) from soybean whey wastewater using either ammonium sulfate salting or ethanol precipitation, and discusses their [...] Read more.

Recovering valuable active substances from the by-products of agricultural processing is a crucial concern for scientific researchers. This paper focuses on the enrichment of soybean trypsin inhibitor (STI) from soybean whey wastewater using either ammonium sulfate salting or ethanol precipitation, and discusses their physicochemical properties. The results show that at a 60% ethanol content, the yield of STI was 3.983 mg/mL, whereas the yield was 3.833 mg/mL at 60% ammonium sulfate saturation. The inhibitory activity of STI obtained by ammonium sulfate salting out (A-STI) was higher than that obtained by ethanol precipitation (E-STI). A-STI exhibited better solubility than E-STI at specific temperatures and pH levels, as confirmed by turbidity and surface hydrophobicity measurements. Thermal characterization revealed that both A-STI and E-STI showed thermal transition temperatures above 90 °C. Scanning electron microscopy demonstrated that A-STI had a smooth surface with fewer pores, while E-STI had a rough surface with more pores. In conclusion, there was no significant difference in the yield of A-STI and E-STI (p < 0.05); however, the physicochemical properties of A-STI were superior to those of E-STI, making it more suitable for further processing and utilization. This study provides a theoretical reference for the enrichment of STI from soybean whey wastewater. Full article

(This article belongs to the Special Issue From Molecules to Materials, Devices and Processes: The Chemical Basis of Novel Technologies)

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22 pages, 3965 KiB

Open AccessReview

Diplotaxis Genus: A Promising Source of Compounds with Nutritional and Biological Properties

by Sandrine Ressurreição, Lígia Salgueiro and Artur Figueirinha

Molecules 2024, 29(11), 2612; https://doi.org/10.3390/molecules29112612 (registering DOI) - 1 Jun 2024

Abstract

Research on bioactive compounds is essential to improve human health; promote adequate nutrition; drive innovation in the food, agricultural and biotechnology industries; and contribute to the preservation of the environment. The genus Diplotaxis (Brassicaceae) currently comprises around forty species, some of which are [...] Read more.

Research on bioactive compounds is essential to improve human health; promote adequate nutrition; drive innovation in the food, agricultural and biotechnology industries; and contribute to the preservation of the environment. The genus Diplotaxis (Brassicaceae) currently comprises around forty species, some of which are edible, particularly Diplotaxis tenuifolia (wild rocket), Diplotaxis erucoides (wall rocket), Diplotaxis muralis (annual wall rocket), Diplotaxis viminea (perennial wall rocket), and Diplotaxis simplex. The leaves of these species are rich in fiber and essential minerals, such as calcium, iron, potassium, and magnesium. Thirteen species have been characterized for their phenolic compounds, predominantly kaempferol, quercetin, and isorhamnetin glycosides. Furthermore, glucosinolate compounds were identified in nineteen species of the genus Diplotaxis. Many of the phytochemicals identified in Diplotaxis spp. demonstrated interesting biological activities, such as antioxidant, anti-inflammatory, antibacterial, hypoglycemic and hypolipidemic effects, as well as cytotoxicity and antiproliferative properties. This article provides a review of the phytochemistry of the Diplotaxis genus, highlighting its importance in food, its biological properties, potential pharmacological applications, and the dearth of research on many of these plants. Full article

(This article belongs to the Special Issue Advances in Functional Foods)

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18 pages, 6908 KiB

Open AccessArticle

Corrosion Inhibition Properties of Corrosion Inhibitors to under-Deposit Corrosion of X65 Steel in CO₂ Corrosion Conditions

by Hai Lin, Xiaorong Chen, Zhongming Luo, Jun Xu, Ping Lu, Tianyi Xie, Jiayi Tang and Hu Wang

Molecules 2024, 29(11), 2611; https://doi.org/10.3390/molecules29112611 (registering DOI) - 1 Jun 2024

Abstract

Under-deposit corrosion is widely present in the pipelines of oil and gas production, causing significant corrosion damage. In this paper, a novel electrochemical cathodic-polarization method was carried out to accelerate the formation of CaCO₃ scale on a X65 steel surface in a [...] Read more.

Under-deposit corrosion is widely present in the pipelines of oil and gas production, causing significant corrosion damage. In this paper, a novel electrochemical cathodic-polarization method was carried out to accelerate the formation of CaCO₃ scale on a X65 steel surface in a simulated solution containing scaling ions. Subsequently, pre-scaled X65 steel was placed in a high temperature and pressure autoclave to conduct corrosion weight-loss experiments and in situ electrochemical measurements. The study mainly compared the corrosion inhibition behavior of four quaternary ammonium salt corrosion inhibitors, pyridinium quaternary salt (BPC), quinolinium quaternary salt (BQC), 8-hydroxyquinolinium quaternary salt (BHQ) and pyridinium (1-chloromethyl naphthalene) quaternary salt (1-CPN), in a simulated oilfield scale under corrosive conditions. The results of the weight-loss experiments demonstrated that the inhibition efficiencies of the corrosion inhibitors from high to low were as follows: 1-CPN < BHQ < BQC < BPC. The in situ electrochemical measurements showed that the immersion time and type of corrosion inhibitor had a pronounced influence on the corrosion and corrosion inhibition behavior of X65 steel with CaCO₃ coating. It was also proved using both EIS and PC that 1-CPN shows the best inhibition performance in all. Lastly, the inhibition mechanism of corrosion inhibitors at under-deposit conditions was analyzed via a surface morphology observation of SEM. Full article

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28 pages, 18229 KiB

Open AccessArticle

Optimization of Flavonoid Extraction from Abelmoschus manihot Flowers Using Ultrasonic Techniques: Predictive Modeling through Response Surface Methodology and Deep Neural Network and Biological Activity Assessment

by Zenghong Sun, Wenhui Liu, Sha Zhang, Shuge Tian and Ainiwaer Aikemu

Molecules 2024, 29(11), 2610; https://doi.org/10.3390/molecules29112610 (registering DOI) - 1 Jun 2024

Abstract

Understanding the optimal extraction methods for flavonoids from Abelmoschus manihot flowers (AMF) is crucial for unlocking their potential benefits. This study aimed to optimize the efficiency of flavonoid extraction from AMF. After comparing extraction methods, the ultrasonic cell crusher demonstrated superior performance over [...] Read more.

Understanding the optimal extraction methods for flavonoids from Abelmoschus manihot flowers (AMF) is crucial for unlocking their potential benefits. This study aimed to optimize the efficiency of flavonoid extraction from AMF. After comparing extraction methods, the ultrasonic cell crusher demonstrated superior performance over conventional techniques. Four key factors—solid-to-liquid ratio (1:10 to 1:50 g·mL⁻¹), ethanol concentration (55% to 95%), ultrasonic time (10 to 50 min), and ultrasonic power (5% to 25% of 900 W)—were investigated and normalized using the entropy weight method. This led to a comprehensive evaluation (CE). Optimization of extraction conditions for the ultrasonic cell crusher was achieved through response surface methodology and a deep neural network model, resulting in optimal parameters: ethanol volume fraction of 66%, solid-to-liquid ratio of 1:21 g/mL, extraction efficiency of 9%, and extraction duration of 35 min, yielding a CE value of 23.14 (RSD < 1%). Additionally, the inhibitory effects of the optimized extracts against Streptococcus mutans (S. mutans) were assessed. The results revealed that AMF extract (AMFE) exhibits inhibitory effects on S. mutans, with concomitant inhibition of sucrase and lactate dehydrogenase (LDH). The MIC of AMFE against planktonic S. mutans is 3 mg/mL, with an MBC of 6 mg/mL. Within the concentration range of 1/8 MIC to 2 MIC of AMFE, the activities of sucrase and LDH decreased by 318.934 U/mg prot and 61.844 U/mg prot, respectively. The antioxidant activity of AMFE was assessed using the potassium ferricyanide reduction and phosphomolybdenum methods. Additionally, the effect of AMFE on DPPH, ABTS, and ·OH free radical scavenging abilities was determined. The concentrations at which AMFE exhibited over 90% scavenging rate for ABTS and DPPH free radicals were found to be 0.125 mg/mL and 2 mg/mL, respectively. Full article

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29 pages, 11513 KiB

Open AccessReview

Drug-Modified Contact Lenses—Properties, Release Kinetics, and Stability of Active Substances with Particular Emphasis on Cyclosporine A: A Review

by Iwona Rykowska, Ola Michałkiewicz, Iwona Nowak and Rafał Nowak

Molecules 2024, 29(11), 2609; https://doi.org/10.3390/molecules29112609 (registering DOI) - 1 Jun 2024

Abstract

The following review focuses on the manufacturing and parameterizing of ocular drug delivery systems (DDS) using polymeric materials to create soft contact lenses. It discusses the types of drugs embedded into contact lenses, the various polymeric materials used in their production, methods for [...] Read more.

The following review focuses on the manufacturing and parameterizing of ocular drug delivery systems (DDS) using polymeric materials to create soft contact lenses. It discusses the types of drugs embedded into contact lenses, the various polymeric materials used in their production, methods for assessing the mechanical properties of polymers, and techniques for studying drug release kinetics. The article also explores strategies for investigating the stability of active substances released from contact lenses. It specifically emphasizes the production of soft contact lenses modified with Cyclosporine A (CyA) for the topical treatment of specific ocular conditions. The review pays attention to methods for monitoring the stability of Cyclosporine A within the discussed DDS, as well as investigating the influence of polymer matrix type on the stability and release of CyA. Full article

(This article belongs to the Section Medicinal Chemistry)

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17 pages, 1360 KiB

Open AccessArticle

Combining the Elicitor Up-Regulated Production of Unusual Linear Diterpene-Derived Variants for an In-Depth Assessment of the Application Value and Risk of the Medicinal and Edible Basidiomycete Schizophyllum commune

by Ying Wang, Fei Cao, Luning Zhou, Hanwei Liu, Hua Gao, Ge Cui, Changshan Niu, Peng Zhang, Dehai Li, Songqi Liu, Yan Jiang and Guangwei Wu

Molecules 2024, 29(11), 2608; https://doi.org/10.3390/molecules29112608 (registering DOI) - 1 Jun 2024

Abstract

To better assess the practical value and avoid potential risks of the traditionally medicinal and edible basidiomycete Schizophyllum commune, which may arise from undescribed metabolites, a combination of elicitors was introduced for the first time to discover products from cryptic and low-expressed [...] Read more.

To better assess the practical value and avoid potential risks of the traditionally medicinal and edible basidiomycete Schizophyllum commune, which may arise from undescribed metabolites, a combination of elicitors was introduced for the first time to discover products from cryptic and low-expressed gene clusters under laboratory cultivation. Treating S. commune NJFU21 with the combination of five elicitors led to the upregulated production of a class of unusual linear diterpene-derived variants, including eleven new ones (1–11), along with three known ones (12–14). The structures and stereochemistry were determined by 1D and 2D NMR, HRESIMS, ECD, OR and VCD calculations. Notably, the elongation terminus of all the diterpenes was decorated by an unusual butenedioic acid moiety. Compound 1 was a rare monocyclic diterpene, while 2–6 possessed a tetrahydrofuran moiety. The truncated metabolites 4, 5 and 13 belong to the trinorditerpenes. All the diterpenes displayed approximately 70% scavenging of hydroxyl radicals at 50 μM and null cytotoxic activity at 10 μM. In addition, compound 1 exhibited potent antifungal activity against the plant pathogenic fungi Colletotrichum camelliae, with MIC values of 8 μg/mL. Our findings indicated that this class of diterpenes could provide valuable protectants for cosmetic ingredients and the lead compounds for agricultural fungicide development. Full article

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12 pages, 4304 KiB

Open AccessArticle

Bicolor Tuning and Hyper-Reflective Color Switching Based on Two Stacked Cholesteric Liquid Crystal Cells with Asymmetric Electrothermal Optical Responses

by Hsin-Kai Tseng, Po-Chang Wu and Wei Lee

Molecules 2024, 29(11), 2607; https://doi.org/10.3390/molecules29112607 (registering DOI) - 1 Jun 2024

Abstract

We propose a double-cell cholesteric liquid crystal (CLC) device composed of a left-handed (LH) CLC cell with a pair of sheet electrodes and a right-handed (RH) CLC cell with a tri-electrode configuration characterized by a sheet electrode on the top and an interdigitated [...] Read more.

We propose a double-cell cholesteric liquid crystal (CLC) device composed of a left-handed (LH) CLC cell with a pair of sheet electrodes and a right-handed (RH) CLC cell with a tri-electrode configuration characterized by a sheet electrode on the top and an interdigitated electrode on the bottom substrates. Bi-reflected color tuning and hyper-reflective color switching are revealed from this cell stack via the electrothermal control of the central wavelengths of the LH- and RH-bandgaps by voltage-induced pseudo-dielectric heating. The two CLCs are thermally sensitive and exhibit overlapped bandgaps in the field-off state with nearly identical temperature dependence, resulting in a hyper-reflective color at 720 nm at 23.4 °C and 380 nm at 29.8 °C. Upon the application of 4 V_rms at 2 MHz across the stacked device to induce pseudo-dielectric heating, two reflective colors can be resolved due to asymmetrical temperature elevations. Accordingly, the difference in wavelength between the two colors increases with increasing voltage through a series cell connection, while maintaining approximately constant via a parallel connection. This study provides a feasible pathway to developing a multifunctional device with electrothermally tunable bi-reflected and hyper-reflective states based on two conventional cell geometries, which is promising for lasers and color-related display applications. Full article

(This article belongs to the Special Issue Liquid Crystals II)

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20 pages, 2470 KiB

Open AccessReview

Application of Biosurfactants in Medical Sciences

by Xiaoyan Wang, Jiachen An, Tianyu Cao, Mingmin Guo and Fu Han

Molecules 2024, 29(11), 2606; https://doi.org/10.3390/molecules29112606 (registering DOI) - 1 Jun 2024

Abstract

Biosurfactants derived from microorganisms have attracted widespread attention in scientific research due to their unique surface activity, low toxicity, biodegradability, antibacterial properties, and stability under extreme conditions. Biosurfactants are widely used in many fields, such as medicine, agriculture, and environmental protection. Therefore, this [...] Read more.

Biosurfactants derived from microorganisms have attracted widespread attention in scientific research due to their unique surface activity, low toxicity, biodegradability, antibacterial properties, and stability under extreme conditions. Biosurfactants are widely used in many fields, such as medicine, agriculture, and environmental protection. Therefore, this review aims to comprehensively review and analyze the various applications of biosurfactants in the medical field. The central roles of biosurfactants in crucial medical areas are explored, like drug delivery, induction of tumor cell differentiation or death, treating bacterial and viral effects, healing wounds, and immune regulation. Moreover, a new outlook is introduced on optimizing the capabilities of biosurfactants through modification and gene recombination for better use in medicine. The current research challenges and future research directions are described, aiming to provide valuable insights for continuous study of biosurfactants in medicine. Full article

(This article belongs to the Special Issue Research Progress of Surfactants)

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15 pages, 1054 KiB

Open AccessReview

The Key Role of Amino Acids in Pollen Quality and Honey Bee Physiology—A Review

by Maciej Sylwester Bryś and Aneta Strachecka

Molecules 2024, 29(11), 2605; https://doi.org/10.3390/molecules29112605 (registering DOI) - 1 Jun 2024

Abstract

When studying honey bee nutrition, it is important to pay attention not only to the quantity but also to the quality of pollen for floral visitors. The recommended way to determine the value of pollen is to determine both the protein concentration and [...] Read more.

When studying honey bee nutrition, it is important to pay attention not only to the quantity but also to the quality of pollen for floral visitors. The recommended way to determine the value of pollen is to determine both the protein concentration and the amino acid composition in the insect’s hemolymph. In addition, the composition of pollen also includes lipids, sterols and biogenic elements such as carbon, nitrogen, etc. Very high protein concentration is observed in aloe pollen, averaging 51%. Plants with a high protein content, at the level of 27% in Europe, are rapeseed and phacelia. In turn, a plant that is poor in protein (at the level of 11%) is buckwheat. The aforementioned plants are sown over very large areas. Vast acreages in Central and Eastern Europe are occupied by pollen- and nectar-providing invasive plants, such as goldenrod. Therefore, bees are forced to use one food source—a mono diet—which results in their malnutrition. In the absence of natural pollen, beekeepers use other foods for bees; including soy protein, powdered milk, egg yolks, fish meal, etc. However, the colony is the strongest when bees are fed with pollen, as opposed to artificial protein diets. More research is needed on the relationship between bee pollen composition and nutrition, as measured by protein concentration and amino acid composition in apian hemolymph, colony strength, honey yield and good overwintering. Full article

(This article belongs to the Section Natural Products Chemistry)

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20 pages, 3901 KiB

Open AccessArticle

Photochemical and Oxidative Degradation of Chamazulene Contained in Artemisia, Matricaria and Achillea Essential Oils and Setup of Protection Strategies

by Simone Gabbanini, Jerome Ngwa Neba, Riccardo Matera and Luca Valgimigli

Molecules 2024, 29(11), 2604; https://doi.org/10.3390/molecules29112604 (registering DOI) - 1 Jun 2024

Abstract

Chamazulene (CA) is an intensely blue molecule with a wealth of biological properties. In cosmetics, chamazulene is exploited as a natural coloring and soothing agent. CA is unstable and tends to spontaneously degrade, accelerated by light. We studied the photodegradation of CA upon [...] Read more.

Chamazulene (CA) is an intensely blue molecule with a wealth of biological properties. In cosmetics, chamazulene is exploited as a natural coloring and soothing agent. CA is unstable and tends to spontaneously degrade, accelerated by light. We studied the photodegradation of CA upon controlled exposure to UVB-UVA irradiation by multiple techniques, including GC-MS, UHPLC-PDA-ESI-MS/MS and by direct infusion in ESI-MSⁿ, which were matched to in silico mass spectral simulations to identify degradation products. Seven byproducts formed upon UVA exposure for 3 h at 70 mW/cm² (blue-to-green color change) were identified, including CA dimers and CA benzenoid, which were not found on extended 6 h irradiation (green-to-yellow fading). Photostability tests with reduced irradiance conducted in various solvents in the presence/absence of air indicated highest degradation in acetonitrile in the presence of oxygen, suggesting a photo-oxidative mechanism. Testing in the presence of antioxidants (tocopherol, ascorbyl palmitate, hydroxytyrosol, bakuchiol, γ-terpinene, TEMPO and their combinations) indicated the highest protection by tocopherol and TEMPO. Sunscreens ethylhexyl methoxycinnamate and particularly Tinosorb^® S (but not octocrylene) showed good CA photoprotection. Thermal stability tests indicated no degradation of CA in acetonitrile at 50 °C in the dark for 50 days; however, accelerated degradation occurred in the presence of ascorbyl palmitate. Full article

(This article belongs to the Special Issue The Chemistry of Essential Oils II)

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14 pages, 5269 KiB

Open AccessArticle

Apigenin’s Modulation of Doxorubicin Efficacy in Breast Cancer

by Aleksandra Golonko, Adam Jan Olichwier, Agata Szklaruk, Adam Paszko, Renata Świsłocka, Łukasz Szczerbiński and Włodzimierz Lewandowski

Molecules 2024, 29(11), 2603; https://doi.org/10.3390/molecules29112603 (registering DOI) - 1 Jun 2024

Abstract

Apigenin, a naturally derived flavonoid, is increasingly being acknowledged for its potential therapeutic applications, especially in oncology. This research explores apigenin’s capacity to modulate cancer cell viability, emphasizing its roles beyond its minimal antioxidant activity attributed to its basic molecular structure devoid of [...] Read more.

Apigenin, a naturally derived flavonoid, is increasingly being acknowledged for its potential therapeutic applications, especially in oncology. This research explores apigenin’s capacity to modulate cancer cell viability, emphasizing its roles beyond its minimal antioxidant activity attributed to its basic molecular structure devoid of hydroxyl groups. We investigated apigenin’s effects on two breast cancer cell lines, estrogen-dependent MCF-7 and non-estrogen-dependent MDA-MB-231 cells. Our findings reveal that apigenin exerts a dose-dependent cytotoxic and anti-migratory impact on these cells. Interestingly, both apigenin and doxorubicin—a standard chemotherapeutic agent—induced lipid droplet accumulation in a dose-dependent manner in MDA-MB-231 cells. This phenomenon was absent in MCF-7 cells and not evident when doxorubicin and apigenin were used concurrently, suggesting distinct cellular responses to these treatments that imply that their synergistic effects might be mediated through mechanisms unrelated to lipid metabolism. A further chemoinformatics analysis indicated that apigenin and doxorubicin might interact primarily at the level of ATP-binding cassette (ABC) transporter proteins, with potential indirect influences from the AKT and MYC signaling pathways. These results highlight the importance of understanding the nuanced interactions between apigenin and conventional chemotherapeutic drugs, as they could lead to more effective strategies for cancer treatment. This study underscores apigenin’s potential as a modulator of cancer cell dynamics through mechanisms independent of its direct antioxidant effects, thereby contributing to the development of flavonoid-based adjunct therapies in cancer management. Full article

(This article belongs to the Special Issue Natural Products in Anticancer Therapy)

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18 pages, 2495 KiB

Open AccessArticle

Signal Transduction of Transient Receptor Potential TRPM8 Channels: Role of PIP5K, Gq-Proteins, and c-Jun

by Gerald Thiel and Oliver G. Rössler

Molecules 2024, 29(11), 2602; https://doi.org/10.3390/molecules29112602 (registering DOI) - 1 Jun 2024

Abstract

Transient receptor potential melastatin-8 (TRPM8) is a cation channel that is activated by cold and “cooling agents” such as menthol and icilin, which induce a cold sensation. The stimulation of TRPM8 activates an intracellular signaling cascade that ultimately leads to a change in [...] Read more.

Transient receptor potential melastatin-8 (TRPM8) is a cation channel that is activated by cold and “cooling agents” such as menthol and icilin, which induce a cold sensation. The stimulation of TRPM8 activates an intracellular signaling cascade that ultimately leads to a change in the gene expression pattern of the cells. Here, we investigate the TRPM8-induced signaling pathway that links TRPM8 channel activation to gene transcription. Using a pharmacological approach, we show that the inhibition of phosphatidylinositol 4-phosphate 5 kinase α (PIP5K), an enzyme essential for the biosynthesis of phosphatidylinositol 4,5-bisphosphate, attenuates TRPM8-induced gene transcription. Analyzing the link between TRPM8 and Gq proteins, we show that the pharmacological inhibition of the βγ subunits impairs TRPM8 signaling. In addition, genetic studies show that TRPM8 requires an activated Gα subunit for signaling. In the nucleus, the TRPM8-induced signaling cascade triggers the activation of the transcription factor AP-1, a complex consisting of a dimer of basic region leucine zipper (bZIP) transcription factors. Here, we identify the bZIP protein c-Jun as an essential component of AP-1 within the TRPM8-induced signaling cascade. In summary, with PIP5K, Gq subunits, and c-Jun, we identified key molecules in TRPM8-induced signaling from the plasma membrane to the nucleus. Full article

(This article belongs to the Section Bioorganic Chemistry)

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15 pages, 2924 KiB

Open AccessArticle

The Dependence of Hydrophobic Interactions on the Shape of Solute Surface

by Yu-Zhen Liu, Yan-Nan Chen and Qiang Sun

Molecules 2024, 29(11), 2601; https://doi.org/10.3390/molecules29112601 (registering DOI) - 1 Jun 2024

Abstract

According to our recent studies on hydrophobicity, this work is aimed at understanding the dependence of hydrophobic interactions on the shape of a solute’s surface. It has been observed that dissolved solutes primarily affect the structure of interfacial water, which refers to the [...] Read more.

According to our recent studies on hydrophobicity, this work is aimed at understanding the dependence of hydrophobic interactions on the shape of a solute’s surface. It has been observed that dissolved solutes primarily affect the structure of interfacial water, which refers to the top layer of water at the interface between the solute and water. As solutes aggregate in a solution, hydrophobic interactions become closely related to the transition of water molecules from the interfacial region to the bulk water. It is inferred that hydrophobic interactions may depend on the shape of the solute surface. To enhance the strength of hydrophobic interactions, the solutes tend to aggregate, thereby minimizing their surface area-to-volume ratio. This also suggests that hydrophobic interactions may exhibit directional characteristics. Moreover, this phenomenon can be supported by calculated potential mean forces (PMFs) using molecular dynamics (MD) simulations, where different surfaces, such as convex, flat, or concave, are associated with a sphere. Furthermore, this concept can be extended to comprehend the molecular packing parameter, commonly utilized in studying the self-assembly behavior of amphiphilic molecules in aqueous solutions. Full article

(This article belongs to the Section Physical Chemistry)

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17 pages, 1416 KiB

Open AccessArticle

Exploring Phenolic Compounds Extraction from Saffron (C. sativus) Floral By-Products Using Ultrasound-Assisted Extraction, Deep Eutectic Solvent Extraction, and Subcritical Water Extraction

by Valentina Masala, Stela Jokić, Krunoslav Aladić, Maja Molnar and Carlo Ignazio Giovanni Tuberoso

Molecules 2024, 29(11), 2600; https://doi.org/10.3390/molecules29112600 (registering DOI) - 1 Jun 2024

Abstract

Saffron (Crocus sativus) floral by-products are a source of phenolic compounds that can be recovered and used in the nutraceutical, pharmaceutical, or cosmetic industries. This study aimed to evaluate the phenolic compounds’ extraction using green extraction techniques (GETs) in saffron floral [...] Read more.

Saffron (Crocus sativus) floral by-products are a source of phenolic compounds that can be recovered and used in the nutraceutical, pharmaceutical, or cosmetic industries. This study aimed to evaluate the phenolic compounds’ extraction using green extraction techniques (GETs) in saffron floral by-products and to explore the influence of selected extraction techniques on the phytochemical composition of the extracts. Specifically, ultrasound-assisted extraction (UAE), subcritical water extraction (SWE), and deep eutectic solvents extraction (DESE) were used. Phenolic compounds were identified with (HR) LC-ESI-QTOF MS/MS analysis, and the quantitative analysis was performed with HPLC-PDA. Concerning the extraction techniques, UAE showed the highest amount for both anthocyanins and flavonoids with 50:50% v/v ethanol/water as solvent (93.43 ± 4.67 mg/g of dry plant, dp). Among SWE, extraction with 96% ethanol and t = 125 °C gave the best quantitative results. The 16 different solvent mixtures used for the DESE showed the highest amount of flavonoids (110.95 ± 5.55–73.25 ± 3.66 mg/g dp), while anthocyanins were better extracted with choline chloride:butane-1,4-diol (16.0 ± 0.80 mg/g dp). Consequently, GETs can be employed to extract the bioactive compounds from saffron floral by-products, implementing recycling and reduction of waste and fitting into the broader circular economy discussion. Full article

(This article belongs to the Special Issue Waste and By-Products from Agricultural Production for Innovative Health Applications)

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18 pages, 4400 KiB

Open AccessArticle

Theoretical Study and Analysis of CsSnX₃ (X = Cl, Br, I) All-Inorganic Perovskite Solar Cells with Different X-Site Elements

by Shiyu Yuan, Zhenzhen Li, Yitong Wang and Hang Zhao

Molecules 2024, 29(11), 2599; https://doi.org/10.3390/molecules29112599 - 31 May 2024

Abstract

In this research, SCAPS-1D simulation software (Version: 3.3.10) was employed to enhance the efficiency of CsSnX₃ (X = Cl, Br, I) all-inorganic perovskite solar cells. By fine-tuning essential parameters like the work function of the conductive glass, the back contact point, defect [...] Read more.

In this research, SCAPS-1D simulation software (Version: 3.3.10) was employed to enhance the efficiency of CsSnX₃ (X = Cl, Br, I) all-inorganic perovskite solar cells. By fine-tuning essential parameters like the work function of the conductive glass, the back contact point, defect density, and the thickness of the light absorption layer, we effectively simulated the optimal performance of CsSnX₃ (X = Cl, Br, I) all-inorganic perovskite solar cells under identical conditions. The effects of different X-site elements on the overall performance of the device were also explored. The theoretical photoelectric conversion efficiency of the device gradually increases with the successive substitution of halogen elements (Cl, Br, I), reaching 6.09%, 17.02%, and 26.74%, respectively. This trend is primarily attributed to the increasing size of the halogen atoms, which leads to better light absorption and charge transport properties, with iodine (I) yielding the highest theoretical conversion efficiency. These findings suggest that optimizing the halogen element in CsSnX₃ can significantly enhance device performance, providing valuable theoretical guidance for the development of high-efficiency all-inorganic perovskite solar cells. Full article

(This article belongs to the Special Issue Chemical Properties of Photoelectric Materials)

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11 pages, 683 KiB

Open AccessArticle

Development of a Non-Target Screening and Quantitative Analysis Strategy Based on UPLC-Q-TOF/MS and UPLC-QQQ/MS to Improve the Quality Control of Wuling Capsule

by Xiao-Feng Huang, Ying Xue, Jian Liang and Li Yong

Molecules 2024, 29(11), 2598; https://doi.org/10.3390/molecules29112598 - 31 May 2024

Abstract

Herbal medicine has been widely valued because of its remarkable efficacy and minimal side effects. The quantitative analysis of herbal medicines is essential to ensure their safety and efficacy. The simultaneous detection of multiple quality markers (Q-markers) has emerged as an important approach [...] Read more.

Herbal medicine has been widely valued because of its remarkable efficacy and minimal side effects. The quantitative analysis of herbal medicines is essential to ensure their safety and efficacy. The simultaneous detection of multiple quality markers (Q-markers) has emerged as an important approach and trend in herbal medicine quality control. In recent years, non-targeted screening has become an effective strategy for the discovery and identification of unknown compounds. This study developed a non-targeted screening and quantitative analysis strategy to discover, identify and quantify the multiple components that truly represent the efficacy of Wuling capsule. Within this strategy, 18 types of flavonoids were tentatively discovered and identified from Wuling capsule by analyzing mass cleavage pathways, the precise molecular weights of compounds, and comparing the data with a database. Ten types of flavonoids were determined after the comparison of the standards. Additionally, following the evaluation of the regression equation, linear range, limit of detection (LOD), limit of quantitation (LOQ), precision, repeatability, and recovery of the proposed quantitative method, six flavonoids were quantified. This method successfully screened, identified, and quantified the potential active components in Wuling capsule, providing insights for improving the quality control standards in other herbal medicines. Full article

(This article belongs to the Special Issue State-of-the-Art Analytical Methods for Natural Products)

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15 pages, 5444 KiB

Open AccessArticle

Investigating the Hepatoprotective Properties of Mulberry Leaf Flavonoids against Oxidative Stress in HepG2 Cells

by Qinhua Zheng, Ke Feng, Wenting Zhong, Weijian Tan, Sa Rengaowa and Wenzhong Hu

Molecules 2024, 29(11), 2597; https://doi.org/10.3390/molecules29112597 (registering DOI) - 31 May 2024

Abstract

Abstract: Oxidative stress significantly contributes to ageing and disease, with antioxidants holding promise in mitigating its effects. Functional foods rich in flavonoids offer a potential strategy to mitigate oxidative damage by free radicals. We investigated the protective effects of mulberry leaf flavonoids (MLF) [...] Read more.

Abstract: Oxidative stress significantly contributes to ageing and disease, with antioxidants holding promise in mitigating its effects. Functional foods rich in flavonoids offer a potential strategy to mitigate oxidative damage by free radicals. We investigated the protective effects of mulberry leaf flavonoids (MLF) against H₂O₂-induced oxidative damage in HepG2 cells. It assessed the inhibitory effect of MLF (62.5-500 μg/mL) on H₂O₂-induced oxidative damage by analyzing cellular morphology and oxidative stress markers, including ROS production, mitochondrial membrane potential, antioxidant enzyme levels, MDA, and apoptosis-related proteins. The results demonstrated that MLF prevented spiny cell formation triggered by 750 μM H₂O₂ and significantly reduced ROS levels, restored mitochondrial membrane potential, decreased lactate dehydrogenase and alanine transaminase leakage, and reduced MDA content induced by H₂O₂. MLF also modulated antioxidant enzymes and attenuated oxidative damage to HepG2 cell DNA, as confirmed by staining techniques. These findings indicate the potential of MLF as a hepatoprotective agent against oxidative damage in HepG2 cells. Full article

(This article belongs to the Special Issue Active Ingredients in Functional Foods and Their Impact on Health)

26 pages, 3071 KiB

Open AccessArticle

Preparation and Performance Evaluation of Self-Cementing Nanoscale Polymeric Microspheres with Salt and Temperature Tolerance

by Guohui Qu, Bowen Li, Yikun Liu, Zilu Zhang, Lifeng Bo, Jiqiang Zhi, Xuebin Tian, Xiaorui Bai, Xiunan Li and Qi Lv

Molecules 2024, 29(11), 2596; https://doi.org/10.3390/molecules29112596 - 31 May 2024

Abstract

Polymer microspheres with temperature and salt resistance were synthesized using the anti-suspension polymerization method, incorporating the functional monomers AMPS, AM, and AA. To enhance their self-gelling properties, the microspheres were designed with a core–shell structure. The shell is composed of a polymeric surfactant, [...] Read more.

Polymer microspheres with temperature and salt resistance were synthesized using the anti-suspension polymerization method, incorporating the functional monomers AMPS, AM, and AA. To enhance their self-gelling properties, the microspheres were designed with a core–shell structure. The shell is composed of a polymeric surfactant, fatty alcohol polyoxyethylene ether methacrylate (AEOMA), which serves as a thermosensitive crosslinking agent, enabling self-crosslinking upon shell decomposition, addressing compatibility with reservoir pore throat dimensions. Comprehensive characterizations including infrared spectroscopy, scanning electron microscopy, optical microscopy, and laser particle size analysis were conducted. The microspheres exhibited successful synthesis, a nanoscale size, and regular spherical morphology. They demonstrated excellent temperature and salt resistance, making them suitable for high-temperature, high-salinity reservoir profile control. With a stable three-dimensional network structure, the microspheres displayed good expansion behavior due to hydrophilic groups along the polymer chains, resulting in favorable water affinity. Even after aging, the microspheres maintained their gelling state with a distinct and stable microscopic network skeleton. They exhibited superior plugging performance in low-permeability reservoirs, while effectively improving water absorption profiles in reservoirs with permeability contrasts of 10 to 80, thereby enhancing oil recovery. Full article

20 pages, 6795 KiB

Open AccessArticle

Response Surface Methodology (RSM) for Optimizing Protein Extraction from Housefly (Musca domestica) Larvae Fed with Toad and Its Structural Characterization

by Jingnan Miao, Chenglu Yu, Xianhe Cheng, Junqiang Qiu and Shumin Liu

Molecules 2024, 29(11), 2595; https://doi.org/10.3390/molecules29112595 - 31 May 2024

Abstract

With the global population on the rise, an escalating interest exists in environmentally sustainable and friendly protein sources. Insects have emerged as multifaceted resources, viewed not only as potential food items, but also as sources of traditional medicines and proteins. This study utilized [...] Read more.

With the global population on the rise, an escalating interest exists in environmentally sustainable and friendly protein sources. Insects have emerged as multifaceted resources, viewed not only as potential food items, but also as sources of traditional medicines and proteins. This study utilized response surface methodology (RSM) to ascertain the optimal extraction conditions for proteins from Musca domestica used in toad feeding, denoted as MDPs-T. The yield of MDPs-T was elevated to 18.3% ± 0.2% under these optimized conditions. Subsequently, the particle size, ζ-potentials, and structures of MDPs-T were analyzed and compared with the proteins derived from Musca domestica fed on a normal diet (MDPs-ND). This comparative analysis utilized a range of advanced techniques, involving UV spectroscopy, Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), high-performance gel permeation chromatography (HPGPC), and scanning electron microscopy (SEM). The outcomes have revealed a marginal disparity in the physical and chemical properties between MDPs-T and MDPs-ND. Derosination led to a reduction in the particle size of the MDPs by 10.98% to 62.81%. MDPs-T exhibited a higher proportion of low-molecular-weight components relative to MDPs-ND. Additionally, in a comparative analysis of amino acids, MDPs-T displayed a greater abundance of essential and total amino acids relative to MDPs-ND. Consequently, MDPs-T holds potential as a valuable food supplement for human consumption or as a nutrient-rich feed supplement for animals. Full article

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20 pages, 5845 KiB

Open AccessArticle

Identification of Anticancer Enzymes and Biomarkers for Hepatocellular Carcinoma through Constraint-Based Modeling

by Feng-Sheng Wang and Hao-Xiang Zhang

Molecules 2024, 29(11), 2594; https://doi.org/10.3390/molecules29112594 - 31 May 2024

Abstract

Hepatocellular carcinoma (HCC) results in the abnormal regulation of cellular metabolic pathways. Constraint-based modeling approaches can be utilized to dissect metabolic reprogramming, enabling the identification of biomarkers and anticancer targets for diagnosis and treatment. In this study, two genome-scale metabolic models (GSMMs) were [...] Read more.

Hepatocellular carcinoma (HCC) results in the abnormal regulation of cellular metabolic pathways. Constraint-based modeling approaches can be utilized to dissect metabolic reprogramming, enabling the identification of biomarkers and anticancer targets for diagnosis and treatment. In this study, two genome-scale metabolic models (GSMMs) were reconstructed by employing RNA sequencing expression patterns of hepatocellular carcinoma (HCC) and their healthy counterparts. An anticancer target discovery (ACTD) framework was integrated with the two models to identify HCC targets for anticancer treatment. The ACTD framework encompassed four fuzzy objectives to assess both the suppression of cancer cell growth and the minimization of side effects during treatment. The composition of a nutrient may significantly affect target identification. Within the ACTD framework, ten distinct nutrient media were utilized to assess nutrient uptake for identifying potential anticancer enzymes. The findings revealed the successful identification of target enzymes within the cholesterol biosynthetic pathway using a cholesterol-free cell culture medium. Conversely, target enzymes in the cholesterol biosynthetic pathway were not identified when the nutrient uptake included a cholesterol component. Moreover, the enzymes PGS1 and CRL1 were detected in all ten nutrient media. Additionally, the ACTD framework comprises dual-group representations of target combinations, pairing a single-target enzyme with an additional nutrient uptake reaction. Additionally, the enzymes PGS1 and CRL1 were identified across the ten-nutrient media. Furthermore, the ACTD framework encompasses two-group representations of target combinations involving the pairing of a single-target enzyme with an additional nutrient uptake reaction. Computational analysis unveiled that cell viability for all dual-target combinations exceeded that of their respective single-target enzymes. Consequently, integrating a target enzyme while adjusting an additional exchange reaction could efficiently mitigate cell proliferation rates and ATP production in the treated cancer cells. Nevertheless, most dual-target combinations led to lower side effects in contrast to their single-target counterparts. Additionally, differential expression of metabolites between cancer cells and their healthy counterparts were assessed via parsimonious flux variability analysis employing the GSMMs to pinpoint potential biomarkers. The variabilities of the fluxes and metabolite flow rates in cancer and healthy cells were classified into seven categories. Accordingly, two secretions and thirteen uptakes (including eight essential amino acids and two conditionally essential amino acids) were identified as potential biomarkers. The findings of this study indicated that cancer cells exhibit a higher uptake of amino acids compared with their healthy counterparts. Full article

(This article belongs to the Section Computational and Theoretical Chemistry)

10 pages, 602 KiB

Open AccessCommunication

Phosphine-Catalyzed γ′-Carbon 1,6-Conjugate Addition of α-Succinimide Substituted Allenoates with Para-Quinone Methides: Synthesis of 4-Diarylmethylated 3,4-Disubstituted Maleimides

by Zhenzhen Gao, Xiaoming Zhou, Dandan Liu, Baoshen Nie, Hanchong Lu, Xiaotong Chen, Jiahui Wu, Lei Li and Xuekun Wang

Molecules 2024, 29(11), 2593; https://doi.org/10.3390/molecules29112593 - 31 May 2024

Abstract

In this paper, an interesting γ′-carbon 1,6-conjugate addition for phosphine-catalyzed α-succinimide substituted allenoates has been disclosed. A wide array of substrates was found to participate in the reaction, resulting in the production of diverse 4-diarylmethylated 3,4-disubstituted maleimides with satisfactory to outstanding yields. Furthermore, [...] Read more.

In this paper, an interesting γ′-carbon 1,6-conjugate addition for phosphine-catalyzed α-succinimide substituted allenoates has been disclosed. A wide array of substrates was found to participate in the reaction, resulting in the production of diverse 4-diarylmethylated 3,4-disubstituted maleimides with satisfactory to outstanding yields. Furthermore, a plausible mechanism for the reaction was proposed by the investigators. Full article

(This article belongs to the Section Organic Chemistry)

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14 pages, 2358 KiB

Open AccessArticle

Bioactive Peptide Profiling in Collagen Hydrolysates: Comparative Analysis Using Targeted and Untargeted Liquid Chromatography–Tandem Mass Spectrometry Quantification

by Merve Oztug

Molecules 2024, 29(11), 2592; https://doi.org/10.3390/molecules29112592 - 31 May 2024

Abstract

The investigation of collagen hydrolysates (CHs) is essential due to their widespread use in health, cosmetic, and therapeutic industries, attributing to the presence of bioactive dipeptides (DPs) and tripeptides (TPs). This study developed a novel targeted liquid chromatography–tandem mass spectrometry (LC-MS/MS) method with [...] Read more.

The investigation of collagen hydrolysates (CHs) is essential due to their widespread use in health, cosmetic, and therapeutic industries, attributing to the presence of bioactive dipeptides (DPs) and tripeptides (TPs). This study developed a novel targeted liquid chromatography–tandem mass spectrometry (LC-MS/MS) method with propyl chloroformate (PCF) derivatization to measure three bioactive peptides—Hydroxyprolyl-glycine (Hyp-Gly), Glycyl-prolyl-hydroxyproline (Gly-Pro-Hyp), and Prolyl-hydroxyproline (Pro-Hyp)—in CHs, with strong correlation coefficients (0.992, 1.000, and 0.995, respectively) and low limits of detection (LODs) of 1.40, 0.14, and 1.16 µM, respectively. Untargeted data-dependent acquisition (DDA) analyses measured peptide size distribution, while amino acid analysis assessed nutritional content. The analysis of ten commercial CHs revealed similar amino acid profiles but varied peptide lengths, indicating diverse hydrolysis conditions. Products with higher proportions of smaller peptides showed elevated levels of the targeted bioactive peptides, suggesting that a smaller peptide size may increase bioactivity. These findings can inform the optimization of CH supplements, providing consumers with detailed peptide content for more informed choices. Data are available via ProteomeXchange with the identifier PXD051699. Full article

(This article belongs to the Section Analytical Chemistry)

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