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Search Results (742)

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Keywords = organic solvent stability

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38 pages, 2180 KiB  
Review
Ternary Choline Chloride-Based Deep Eutectic Solvents: A Review
by Abdulalim Ibrahim, Marc Mulamba Tshibangu, Christophe Coquelet and Fabienne Espitalier
ChemEngineering 2025, 9(4), 84; https://doi.org/10.3390/chemengineering9040084 (registering DOI) - 6 Aug 2025
Abstract
Ternary choline chloride-based deep eutectic solvents (TDESs) exhibit unique physicochemical properties, including lower viscosities, lower melting points, higher thermal stabilities, and enhanced solvations compared to binary deep eutectic solvents (BDESs). Although BDESs have been widely studied, the addition of a third component in [...] Read more.
Ternary choline chloride-based deep eutectic solvents (TDESs) exhibit unique physicochemical properties, including lower viscosities, lower melting points, higher thermal stabilities, and enhanced solvations compared to binary deep eutectic solvents (BDESs). Although BDESs have been widely studied, the addition of a third component in TDESs offers opportunities to further optimize their performance. This review aims to evaluate the physicochemical properties of TDESs and highlight their potential applications in sustainable industrial processes compared to BDESs. A comprehensive analysis of the existing literature was conducted, focusing on TDES properties, such as phase behavior, density, viscosity, pH, conductivity, and the effect of water, along with their applications in various fields. TDESs demonstrated superior physicochemical characteristics compared to BDESs, including improved solvation and thermal stability. Their applications in biomass conversion, CO2 capture, heavy oil upgrading, refrigeration gases, and as solvents/catalysts in organic reactions show significant promise for enhancing process efficiency and sustainability. Despite their advantages, TDESs face challenges including limited predictive models, potential instability under certain conditions, and scalability hurdles. Overall, TDESs offer significant potential for advancing sustainable and efficient chemical processes for industrial applications. Full article
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34 pages, 6142 KiB  
Review
Grain Boundary Engineering for High-Mobility Organic Semiconductors
by Zhengran He, Kyeiwaa Asare-Yeboah and Sheng Bi
Electronics 2025, 14(15), 3042; https://doi.org/10.3390/electronics14153042 - 30 Jul 2025
Viewed by 144
Abstract
Grain boundaries are among the most influential structural features that control the charge transport in polycrystalline organic semiconductors. Acting as both charge trapping sites and electrostatic barriers, they disrupt molecular packing and introduce energetic disorder, thereby limiting carrier mobility, increasing threshold voltage, and [...] Read more.
Grain boundaries are among the most influential structural features that control the charge transport in polycrystalline organic semiconductors. Acting as both charge trapping sites and electrostatic barriers, they disrupt molecular packing and introduce energetic disorder, thereby limiting carrier mobility, increasing threshold voltage, and degrading the stability of organic thin-film transistors (OTFTs). This review presents a detailed discussion of grain boundary formation, their impact on charge transport, and experimental strategies for engineering their structure and distribution across several high-mobility small-molecule semiconductors, including pentacene, TIPS pentacene, diF-TES-ADT, and rubrene. We explore grain boundary engineering approaches through solvent design, polymer additives, and external alignment methods that modulate crystallization dynamics and domain morphology. Then various case studies are discussed to demonstrate that optimized processing can yield larger, well-aligned grains with reduced boundary effects, leading to great mobility enhancements and improved device stability. By offering insights from structural characterization, device physics, and materials processing, this review outlines key directions for grain boundary control, which is essential for advancing the performance and stability of organic electronic devices. Full article
(This article belongs to the Special Issue Feature Papers in Electronic Materials)
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13 pages, 1664 KiB  
Article
Inclusion Complex of a Cationic Mono-Choline-β-Cyclodextrin Derivative with Resveratrol: Preparation, Characterization, and Wound-Healing Activity
by Sonia Pedotti, Loredana Ferreri, Giuseppe Granata, Giovanni Gambera, Nicola D’Antona, Claudia Giovanna Leotta, Giovanni Mario Pitari and Grazia Maria Letizia Consoli
Int. J. Mol. Sci. 2025, 26(14), 6911; https://doi.org/10.3390/ijms26146911 - 18 Jul 2025
Viewed by 256
Abstract
Resveratrol is one of the most extensively studied natural products due to its pleiotropic health benefits. However, its low water solubility and limited stability hinder its application in the nutraceutical, cosmetic, and pharmaceutical sectors. In this work, we investigated the ability of a [...] Read more.
Resveratrol is one of the most extensively studied natural products due to its pleiotropic health benefits. However, its low water solubility and limited stability hinder its application in the nutraceutical, cosmetic, and pharmaceutical sectors. In this work, we investigated the ability of a cationic mono-choline-β-cyclodextrin derivative to complex trans-resveratrol. The complex was prepared using a phase solubility method without using organic solvents and was found to be stable after freeze-drying. The complex was characterized by a phase solubility study, NMR spectroscopy, and molecular modeling simulations, which revealed a 1:1 stoichiometry, a stability constant of 2051 M−1 (KC), and structural details. Complexation improved resveratrol’s solubility and dissolution rate, reduced its photoinduced trans-to-cis isomerization, and preserved its radical scavenging activity. The wound-healing activity of the complex was demonstrated via in vitro experiments on human keratinocyte cells. Full article
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17 pages, 2950 KiB  
Article
Obtention of ZnO-Based Hybrid Pigments: Exploring Textile Dye Adsorption and Co-Adsorption with Copper Ion
by Taiane L. Dlugoviet, Andressa dos Santos, Julia de Oliveira Primo and Fauze Jacó Anaissi
Colorants 2025, 4(3), 23; https://doi.org/10.3390/colorants4030023 - 14 Jul 2025
Viewed by 233
Abstract
Annually, more than 10,000 synthetic dyes are produced worldwide, generating around 280,000 tons of waste, posing risks to human and aquatic life, and potentially creating even more toxic products than the dyes themselves. This study aims to immobilize organic dyes, forming hybrid pigments [...] Read more.
Annually, more than 10,000 synthetic dyes are produced worldwide, generating around 280,000 tons of waste, posing risks to human and aquatic life, and potentially creating even more toxic products than the dyes themselves. This study aims to immobilize organic dyes, forming hybrid pigments using ZnO as support obtained through starch combustion. ZnO was obtained by starch (sago) combustion and characterized by XRD, SEM and the BET method. It was then used for the adsorption of orange and green textile dyes, evaluating the adsorbent dosage, initial dye concentration, contact time, and selectivity with copper ions. The removal studies indicated up to 100% removal of both dyes at low concentrations. The co-adsorption system showed excellent performance, with removal percentages exceeding 90% for both textile dyes and Cu (II) ions. Hybrid pigments were assessed for solvent resistance and durability under extended white light exposure. ZnO immobilized the dyes, showing resistance to organic solvents and good stability under prolonged white light exposure. Full article
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46 pages, 1588 KiB  
Review
Advancements in Organic Solvent Nanofiltration: The Critical Role of Polyamide Membranes in Sustainable Industrial Applications
by Shivshankar Chaudhari, Sunilesh Chakravarty, YoungHo Cho, JinWon Seo, MinYoung Shon and SeungEun Nam
Processes 2025, 13(7), 2212; https://doi.org/10.3390/pr13072212 - 10 Jul 2025
Viewed by 547
Abstract
Organic solvent nanofiltration (OSN) has emerged as a transformative platform for molecular separation, offering energy-efficient and high-performance alternatives to conventional separation techniques across the food, petrochemical, and pharmaceutical industries. At the core of this advancement lie polyamide membranes, whose exceptional chemical resilience, tunable [...] Read more.
Organic solvent nanofiltration (OSN) has emerged as a transformative platform for molecular separation, offering energy-efficient and high-performance alternatives to conventional separation techniques across the food, petrochemical, and pharmaceutical industries. At the core of this advancement lie polyamide membranes, whose exceptional chemical resilience, tunable architecture, and compatibility with a wide range of organic solvents have positioned them as the material of choice for industrial OSN applications. Recent progress encompassing nanostructured additives, controlled interfacial polymerization, and advanced crosslinking strategies has led to significant improvements in membrane selectivity, permeability, and operational stability. As OSN continues to gain traction in sustainable chemical processing, enabling reductions in both energy consumption and environmental waste, ongoing challenges such as membrane fouling, structural degradation, and limited solvent resistance remain critical barriers to broader adoption. This review critically examines the role of polyamide membranes in OSN, emphasizing their structural versatility, physicochemical attributes, and capacity to meet the growing demands of sustainable separation technologies. Full article
(This article belongs to the Section Materials Processes)
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11 pages, 3750 KiB  
Article
Metal–Organic Framework-Based Membranes with High Selectivity for Non-Aqueous Redox Flow Battery
by Lifang Zhu, Donghan Xu, Yongdan Li and Cuijuan Zhang
Processes 2025, 13(7), 2127; https://doi.org/10.3390/pr13072127 - 4 Jul 2025
Viewed by 347
Abstract
The advancement of non-aqueous redox flow batteries (NARFBs) remains significantly constrained by the absence of membranes with sufficient ionic selectivity and chemical compatibility. Herein, we fabricated flexible membranes incorporating metal–organic framework (MOF) via a solution casting approach. The rigid framework structure of the [...] Read more.
The advancement of non-aqueous redox flow batteries (NARFBs) remains significantly constrained by the absence of membranes with sufficient ionic selectivity and chemical compatibility. Herein, we fabricated flexible membranes incorporating metal–organic framework (MOF) via a solution casting approach. The rigid framework structure of the MOF effectively suppresses membrane swelling in organic solvents. The appropriate structural pore of MOF enables a size-sieving effect toward redox-active materials and supporting electrolyte, thereby reducing material crossover and enhancing the ionic selectivity of the composite membranes. The batteries with the designed composite membranes exhibit a Coulombic efficiency of higher than 99% and significantly improved cycling stability at 10 mA cm−2. The membrane design strategy, employing MOF materials with a structural pore size between the molecular size of the supporting electrolyte and active materials, is universal for NARFB. Full article
(This article belongs to the Section Materials Processes)
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14 pages, 1200 KiB  
Article
An Organic Solvent-Tolerant α-L-Rhamnosidase from Dictyoglomus thermophilum and Its Application in Production of Icariside I from Icariin
by Jinyue Hu, Lingling Song, Le Zhao, Xiaoke Zheng, Weisheng Feng and Haoyu Jia
Molecules 2025, 30(13), 2847; https://doi.org/10.3390/molecules30132847 - 3 Jul 2025
Viewed by 322
Abstract
Icariside I, a bioactive flavonoid derivative derived from Herba epimedii, demonstrates better pharmacological properties compared to its precursor icariin. Enzymatic conversion of icariin to icariside I using α-L-rhamnosidase represents an efficient biotechnological approach. In this study, we characterized a GH78 family α-L-rhamnosidase [...] Read more.
Icariside I, a bioactive flavonoid derivative derived from Herba epimedii, demonstrates better pharmacological properties compared to its precursor icariin. Enzymatic conversion of icariin to icariside I using α-L-rhamnosidase represents an efficient biotechnological approach. In this study, we characterized a GH78 family α-L-rhamnosidase from Dictyoglomus thermophilum (DthRha) with promising biocatalytic properties. The recombinant DthRha displayed optimal activity at 55 °C and pH 6.0, with remarkable thermostability (retaining > 80% activity after 1 h at 45–65 °C) and pH stability (pH 5.0–7.0). The kinetic parameters Km, kcat and kcat/Km values for pNPR of 0.44 mM, 7.99 s−1 and 18.16 s−1 mM−1, respectively. Notably, DthRha exhibited good organic solvent tolerance, retaining > 50% activity after 4 h in 10% DMSO. Applied in a DMSO cosolvent system, DthRha achieved 92.3% conversion of icariin to icariside I within 4 h under optimized conditions. Interestingly, elevating the substrate concentration to 10 mM resulted in a consistently high icariin conversion of 95.8%. The enzymatic hydrolysis method can be applied to the industrial production of Icariside I. Furthermore, DthRha not only cleaves the α-1,2 glycosidic bond between glucoside and rhamnoside in compounds like naringin, but also exhibits tolerance to organic solvents, making it suitable for the hydrolysis of other poorly soluble flavonoids. Full article
(This article belongs to the Topic Green and Sustainable Chemical Products and Processes)
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13 pages, 2631 KiB  
Article
TEMPO-Oxidized Cellulose Hydrogels Loaded with Copper Nanoparticles as Highly Efficient and Reusable Catalysts for Organic Pollutant Reduction
by Yangyang Zhang, Yuanyuan Li and Xuejun Yu
Gels 2025, 11(7), 512; https://doi.org/10.3390/gels11070512 - 1 Jul 2025
Viewed by 310
Abstract
To successfully prepare cellulose hydrogels through a dissolution–regeneration process, 60 wt% LiBr aqueous solution was used as a green solvent. Carboxyl groups were precisely introduced onto the surface of the cellulose hydrogels through a TEMPO-mediated oxidation reaction, while the three-dimensional network structure and [...] Read more.
To successfully prepare cellulose hydrogels through a dissolution–regeneration process, 60 wt% LiBr aqueous solution was used as a green solvent. Carboxyl groups were precisely introduced onto the surface of the cellulose hydrogels through a TEMPO-mediated oxidation reaction, while the three-dimensional network structure and open pore morphology were completely retained. This modification strategy significantly enhanced the loading capacity of the hydrogels with copper nanoparticles (Cu NPs). The experimental results show that the LiBr aqueous solution can efficiently dissolve cellulose, and the TEMPO oxidation introduces carboxyl groups without destroying the stability of the hydrogels. Cu NPs are uniformly dispersed and highly loaded on the surface of the hydrogel because of the anchoring effect of the carboxyl groups. Cu NP-loaded hydrogels exhibit excellent catalytic activity in the NaBH4 reduction of 4-nitrophenol (4-NP). Cu NP-loaded hydrogels maintain their complete structure and good catalytic performance after five consecutive cycles. Moreover, Cu NP-loaded hydrogels demonstrate high efficiency in degrading organic dyes such as methyl orange and Congo red. This study successfully developed efficient, low-cost, and environmentally friendly Cu NP-loaded hydrogel catalysts through the synergistic effect of LiBr green solvent and TEMPO oxidation modification, providing a feasible alternative to noble metal catalysts. Full article
(This article belongs to the Special Issue Advances in Cellulose-Based Hydrogels (3rd Edition))
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16 pages, 1856 KiB  
Article
Zn-URJC-12 Material Constituted of Two Different Organic Ligands for CO2 Valorization into Cyclic Carbonates
by Jesús Tapiador, Pedro Leo, Pablo Salcedo-Abraira, Antonio Rodríguez-Diéguez and Gisela Orcajo
Nanomaterials 2025, 15(13), 1018; https://doi.org/10.3390/nano15131018 - 1 Jul 2025
Viewed by 337
Abstract
A novel metal–organic framework based on zinc ions, designated as Zn-URJC-12, has been synthesized and applied for the first time in the cycloaddition reaction between carbon dioxide and epoxides. This MOF is constructed from two different organic linkers: 5-aminoisophthalic acid and 4,4′-biphenyldicarboxylic acid. [...] Read more.
A novel metal–organic framework based on zinc ions, designated as Zn-URJC-12, has been synthesized and applied for the first time in the cycloaddition reaction between carbon dioxide and epoxides. This MOF is constructed from two different organic linkers: 5-aminoisophthalic acid and 4,4′-biphenyldicarboxylic acid. The framework features –NH2 functional groups coordinated to Zn(II) centers, as confirmed by single-crystal X-ray diffraction analysis. Zn-URJC-12 demonstrates exceptional chemical stability in polar organic solvents, such as methanol, while maintaining thermal stability up to 250 °C. The material exhibits high catalytic efficiency in the cycloaddition of CO2 with epoxides, achieving yields of 100% and 76% for propylene oxide and allyl glycidyl ether, respectively. Additionally, Zn-URJC-12 maintains its structural integrity and catalytic performance during five successive reaction cycles. These findings underscore Zn-URJC-12 as a promising heterogeneous catalyst for the valorization of CO2 into cyclic carbonates. Full article
(This article belongs to the Section Energy and Catalysis)
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26 pages, 8375 KiB  
Article
Water-Soluble Formulations of Curcumin and Eugenol Produced by Spray Drying
by Iskra Z. Koleva, Katya Kamenova, Petar D. Petrov and Christo T. Tzachev
Pharmaceuticals 2025, 18(7), 944; https://doi.org/10.3390/ph18070944 - 23 Jun 2025
Viewed by 588
Abstract
Background/Objectives: In this study, we present a green, scalable platform for the production of water-dispersible powders co-encapsulating the lipophilic bioactives curcumin (Cur) and eugenol (Eug) within the amphiphilic polymer Soluplus® (SP) via low-temperature spray drying. Methods: The amount of Cur [...] Read more.
Background/Objectives: In this study, we present a green, scalable platform for the production of water-dispersible powders co-encapsulating the lipophilic bioactives curcumin (Cur) and eugenol (Eug) within the amphiphilic polymer Soluplus® (SP) via low-temperature spray drying. Methods: The amount of Cur (1%, 5%, and 10%) and Eug (5%, 10%, 15%, and 20%) was varied to achieve single- and double-loaded water-soluble powders with the maximum amount of active substances. The powders containing a higher loading of Cur, 5% and 10% (and Eug), were obtained from water/ethanol mixtures (2:1 and 5:1 v/v ratio), while the formulation with 1% of Cur was spray-dried by using water as a solvent. Results: By leveraging aqueous or aqueous–ethanolic feed systems, we achieved high loading of the bioactive substances—up to 10% Cur and 20% Eug (w/w)—while minimizing organic solvent use. Myo-inositol was incorporated as a stabilizing excipient to modulate particle morphology, improve powder flowability, and enhance redispersibility. Physicochemical characterization revealed nanoscale micellization (53–127 nm), amorphization of both actives as confirmed by XRD and DSC, and the absence of crystalline residue. Encapsulation efficiencies exceeded 95% for Cur and 93% for Eug. Dissolution tests demonstrated a rapid release from the 5% Cur/5% Eug formulation (>85% in 5 min), while higher-loaded single-formulations showed progressively slower release (up to 45 min). Conclusions: This work demonstrates a robust and environmentally responsible encapsulation strategy, suitable for delivering poorly water-soluble phytochemicals with potential applications in oral nutraceuticals and pharmaceutical dosage forms. Full article
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19 pages, 2333 KiB  
Article
Recombinant Expression and Characterization of a Novel Type I Baeyer–Villiger Monooxygenase from a Streptomyces Strain Isolated from the Rhizosphere of the Atacama Desert Lupinus oreophilus
by Carolina González, Sebastián Rodríguez, José Pablo Reyes-Godoy, Valeria Razmilic and Irene Martínez
Int. J. Mol. Sci. 2025, 26(13), 5940; https://doi.org/10.3390/ijms26135940 - 20 Jun 2025
Viewed by 380
Abstract
The Atacama Desert is emerging as an unexpected source of microbial life and, thus, a source of bioactive compounds and novel enzymes. Baeyer–Villiger monooxygenases (BVMOs), a subclass of flavin-dependent monooxygenases (FPMOs), have gained attention as promising biocatalysts for the biosynthesis of industrially relevant [...] Read more.
The Atacama Desert is emerging as an unexpected source of microbial life and, thus, a source of bioactive compounds and novel enzymes. Baeyer–Villiger monooxygenases (BVMOs), a subclass of flavin-dependent monooxygenases (FPMOs), have gained attention as promising biocatalysts for the biosynthesis of industrially relevant molecules for a wide range of applications, such as pharmaceuticals and polymers, among others. BVMOs catalyze the oxidation of ketones and cyclic ketones to esters and lactones, respectively, by using molecular oxygen and NAD(P)H. BVMOs may also catalyze heteroatoms oxidation including sulfoxidations and N-oxidations. This work aims to search for novel BVMOs in the genomes of new bacterial strains isolated from the Atacama Desert. Bioinformatic analysis led to the identification of 10 putative BVMOs, where the monooxygenase named MO-G35A was selected. Genome context showed, downstream of the MO-G35A, a gene encoding for an enzyme from the short-chain dehydrogenase/reductase family, suggesting a closer redox loop between both enzymes. MO-G35A was successfully expressed in three Escherichia coli expression systems, where higher yields were achieved using the E. coli Shuffle T7 as host, suggesting that correct disulfide bond formation is necessary for correct folding. Enzyme characterization showed that it operates optimally at 35–38 °C, exhibiting a Km of 0.06 mM and a kcat of 0.15 s−1 for bicyclo [3.2.0] hept-2-en-6-one (BHC). Furthermore, the study revealed high stability in the presence of organic solvents, making it suitable for applications in various industrial processes, especially when the substrates have poor solubility in aqueous solutions. These results highlight the robustness and adaptability of enzymes in extreme environments, making them valuable candidates for biotechnological applications. Full article
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15 pages, 3020 KiB  
Article
Metal Oxide-Modified PES Membranes for Efficient Separation of Oil-in-Water Emulsions and Trace Organic Compounds
by Jinze Li, Wensheng Yang, Yang Xu, Chengfeng Sun, Yingying Zhu and Geng Chen
Catalysts 2025, 15(6), 604; https://doi.org/10.3390/catal15060604 - 19 Jun 2025
Viewed by 512
Abstract
The efficient removal of emulsified oil and trace organic pollutants via forward osmosis (FO) technology remains challenging due to limited water flux and membrane fouling. In this study, a series of metal oxide-modified PES-based composite FO membranes were fabricated and systematically evaluated to [...] Read more.
The efficient removal of emulsified oil and trace organic pollutants via forward osmosis (FO) technology remains challenging due to limited water flux and membrane fouling. In this study, a series of metal oxide-modified PES-based composite FO membranes were fabricated and systematically evaluated to compare the effects of ZnO, Al2O3, and CuO nanoparticles on membrane structure and separation performance. The results demonstrated that the membrane modified with 0.04 g of ZnO nanoparticles achieved optimal synergy in terms of hydrophilicity, surface charge, and pore structure. The pure water flux increased from 5.48 L·m−2·h−1 for the pristine membrane to 18.5 L·m−2·h−1 for the ZnO-modified membrane, exhibiting a 237.5% increase in pure water flux compared to the pristine PES membrane, an oil rejection rate exceeding 97%, and over 95% rejection of typical negatively charged trace organic pollutants such as ibuprofen and tetracycline. Moreover, the ZnO-modified membrane showed excellent antifouling performance and structural stability in various organic solvent systems. This study not only optimized the interfacial chemistry and microstructure of the FO membrane but also enhanced pollutant repellence and the self-cleaning capability through increased hydrophilicity and surface negative charge density. These findings highlight the significant potential of ZnO modification for enhancing the overall performance of FO membranes and provide an effective strategy for developing high-performance, broadly applicable FO membranes for complex water purification. Full article
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15 pages, 758 KiB  
Article
Novel Micro-LC-MS/MS Method for the Quantification of Tenofovir and Its Active Metabolite Tenofovir-Diphosphate in Biological Matrices for Therapeutic Drug Monitoring
by Isabela Tarcomnicu, Simona Iacob, Valentina Anuta, Emil Neaga and Dan Otelea
Pharmaceuticals 2025, 18(6), 899; https://doi.org/10.3390/ph18060899 - 16 Jun 2025
Viewed by 635
Abstract
Background/Objectives: Sustained drug exposure is a key factor in the treatment of patients infected with human immunodeficiency virus (HIV) or hepatitis B virus (HBV) in order to achieve the intended virological response. Although influenced also by other parameters, adherence to the treatment [...] Read more.
Background/Objectives: Sustained drug exposure is a key factor in the treatment of patients infected with human immunodeficiency virus (HIV) or hepatitis B virus (HBV) in order to achieve the intended virological response. Although influenced also by other parameters, adherence to the treatment scheme is the most important for adequate drug exposure. This can be assessed by therapeutic drug monitoring (TDM). Tenofovir (TFV) is a nucleotide analogue used in the treatment of both HIV and HBV. Although various analytical methods for the quantification of tenofovir prodrugs have been published, there is limited literature on methods for simultaneous TFV and its active metabolite, tenofovir diphosphate (TFVDP) direct determination. Methods: In this study, we describe a novel micro-liquid-chromatography-mass spectrometry (micro-LC-MS/MS) method for TDM of TFV and TFVDP in biological matrices (whole blood, plasma). The challenging separation of the high-polarity analytes was resolved on an amino stationary phase, eluted in HILIC (hydrophilic interaction liquid chromatography) mode. The sample preparation included a clean-up step with hexane for the removal of lipophilic compounds and then protein precipitation with organic solvent. Results: The achieved low limits of quantification in blood were 0.25 ng/mL for TFV, and 0.5 ng/mL for TFVDP. Linearity, accuracy (91.63–109.18%), precision (2.48–14.08), and stability were validated for whole blood matrix, meeting the guidelines performance criteria. Samples collected from treated patients were analyzed, with results being in accordance with the reported pharmacokinetics. Conclusions: The new method is adequate for analyzing samples in a clinical set-up. The measurement of both TFV and TFVDP improves clinical decision by an in-depth evaluation of long-term adherence, and together with viral load and resistance data helps guiding the treatment towards the intended virological suppression. Full article
(This article belongs to the Section Pharmaceutical Technology)
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20 pages, 23356 KiB  
Article
Counterion-Mediated Assembly of Fluorocarbon–Hydrocarbon Surfactant Mixtures at the Air–Liquid Interface: A Molecular Dynamics Study
by Xiaolong Quan, Tong Tong, Tao Li, Dawei Han, Baolong Cui, Jing Xiong, Zekai Cui, Hao Guo, Jinqing Jiao and Yuechang Wei
Molecules 2025, 30(12), 2592; https://doi.org/10.3390/molecules30122592 - 14 Jun 2025
Viewed by 505
Abstract
This study employs molecular dynamics simulations to investigate counterion effects (Li+, Na+, K+) on the interfacial aggregation of mixed short-chain fluorocarbon, Perfluorohexanoic acid (PFHXA), and Sodium dodecyl sulfate (SDS) surfactants. Motivated by the need for [...] Read more.
This study employs molecular dynamics simulations to investigate counterion effects (Li+, Na+, K+) on the interfacial aggregation of mixed short-chain fluorocarbon, Perfluorohexanoic acid (PFHXA), and Sodium dodecyl sulfate (SDS) surfactants. Motivated by the need for greener surfactant alternatives and a fundamental understanding of molecular interactions governing their behavior, we demonstrate that counterion hydration radius critically modulates system organization. K+ ions induce superior monolayer condensation and interfacial performance compared to Li+ and Na+ counterparts, as evidenced by threefold analysis: (1) RMSD/MSD-confirmed equilibrium attainment ensures data reliability; (2) 1D/2D density profiles and surface tension measurements reveal K+-enhanced packing density (lower solvent-accessible surface area versus Na+ and Li+ systems); (3) Electrostatic potential analysis identifies synergistic complementarity between SDS’s hydrophobic stabilization via dodecyl chain interactions and PFHXA’s charge uniformity, optimizing molecular-level charge screening. Radial distribution function analysis demonstrates K+’s stronger affinity for SDS head groups, with preferential sulfate coordination reducing surfactant-water hydration interactions. This behavior correlates with hydrogen-bond population reduction, attributed to SDS groups functioning as multidentate ligands—their tetrahedral oxygen arrangement facilitates cooperative hydrogen-bond networks, while counterion-specific charge screening competitively modulates bond formation. The resultant interfacial restructuring enables ordered molecular arrangements with lower system curvature than those observed in Li+ and Na+-containing systems. These findings elucidate counterion-mediated interfacial modulation mechanisms and establish K+ as an optimal candidate for enhancing PFHXA/SDS mixture performance through hydration-radius screening. The work provides molecular-level guidelines for designing eco-friendly surfactant systems with tailored interfacial properties. Full article
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13 pages, 2207 KiB  
Article
Electrostatic Dual-Layer Solvent-Free Cathodes for High-Performance Lithium-Ion Batteries
by Haojin Guo, Chengrui Zhang, Yujie Ma, Ning Liu and Zhifeng Wang
Energies 2025, 18(12), 3112; https://doi.org/10.3390/en18123112 - 12 Jun 2025
Viewed by 688
Abstract
Slurry-cast (SLC) electrode manufacturing faces problems such as thickness limitation and material stratification, which are caused by applying toxic organic solvents. Solvent-free electrode technology, as a sustainable alternative, could get rid of issues generated by solvents. In this study, dual-layer NCM811 solvent-free electrodes [...] Read more.
Slurry-cast (SLC) electrode manufacturing faces problems such as thickness limitation and material stratification, which are caused by applying toxic organic solvents. Solvent-free electrode technology, as a sustainable alternative, could get rid of issues generated by solvents. In this study, dual-layer NCM811 solvent-free electrodes (DLEs) are fabricated via an electrostatic powder deposition method with an active material-rich upper layer to provide high energy output, while the more binder–conductor content base layer improves conductivity and contact with current collectors. The dual-layered structure overwhelms the single-layer electrode (SE) with stable cycling performance caused by more regulated pore structures. DLE maintains 74% capacity retention after 100 cycles at 0.3 C, while the SLC shows only 60% capacity retention. Additionally, DLE shows excellent rate performance at various rates, with 207.3 mAh g−1, 193.9 mAh g−1, 173.9 mAh g−1, 157.3 mAh g−1, and 120.4 mAh g−1 at 0.1 C, 0.2 C, 0.5 C, 1.0 C, and 2.0 C, respectively. The well-designed DLE cathodes exhibit superior discharge-specific capacities, rate performance, and improved cycling stability than traditional SLC cathodes. It enlightens the path toward new structure innovations of solvent-free electrodes. Full article
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