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17 pages, 3151 KiB  
Article
Towards a Consensus for the Analysis and Exchange of TFA as a Counterion in Synthetic Peptides and Its Influence on Membrane Permeation
by Vanessa Erckes, Alessandro Streuli, Laura Chamera Rendueles, Stefanie Dorothea Krämer and Christian Steuer
Pharmaceuticals 2025, 18(8), 1163; https://doi.org/10.3390/ph18081163 - 5 Aug 2025
Abstract
Background: With the increasing shift in drug design away from classical drug targets towards the modulation of protein-protein interactions, synthetic peptides are gaining increasing relevance. The synthesis and purification of peptides via solid-phase peptide synthesis (SPPS) strongly rely on trifluoroacetic acid (TFA) as [...] Read more.
Background: With the increasing shift in drug design away from classical drug targets towards the modulation of protein-protein interactions, synthetic peptides are gaining increasing relevance. The synthesis and purification of peptides via solid-phase peptide synthesis (SPPS) strongly rely on trifluoroacetic acid (TFA) as a cleavage agent and ion-pairing reagent, respectively, resulting in peptides being obtained as TFA salts. Although TFA has excellent properties for peptide production, numerous studies highlight the negative impact of using peptides from TFA salts in biological assays. Methods: Investigated peptides were synthesized via SPPS and the TFA counterion was exchanged for Cl via freeze-drying in different concentrations of HCl. Detection and quantification of residual TFA were carried out via FT-IR, 19F-NMR, and HPLC using an evaporative light-scattering detector (ELSD). A liposomal fluorescence assay was used to test for the influence of the counterion on the peptides’ passive membrane permeability. Results: All TFA detection methods were successfully validated according to ICH guidelines. TFA removal with 10 mM HCl was determined to be the optimal condition. No impact on peptide purity was observed at all HCl concentrations. Influences on permeability coefficients depending on peptide sequence and salt form were found. Conclusions: This study presents a systematic investigation of the removal of TFA counterions from synthetic peptides and their replacement with Cl counterions. Detected counterion contents were used to understand the impact of sequence differences, especially positive charges, on the amount and potential localization of counterions. Our findings emphasize the importance of counterion quantification and specification in assays with synthetic peptides. Full article
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18 pages, 2229 KiB  
Article
Cell Surface Proteomics Reveals Hypoxia-Regulated Pathways in Cervical and Bladder Cancer
by Faris Alanazi, Ammar Sharif, Melissa Kidd, Emma-Jayne Keevill, Vanesa Biolatti, Richard D. Unwin, Peter Hoskin, Ananya Choudhury, Tim A. D. Smith and Conrado G. Quiles
Proteomes 2025, 13(3), 36; https://doi.org/10.3390/proteomes13030036 - 5 Aug 2025
Abstract
Background Plasma membrane proteins (PMPs) play key roles in cell signalling, adhesion, and trafficking, and are attractive therapeutic targets in cancer due to their surface accessibility. However, their typically low abundance limits detection by conventional proteomic approaches. Methods: To improve PMP detection, we [...] Read more.
Background Plasma membrane proteins (PMPs) play key roles in cell signalling, adhesion, and trafficking, and are attractive therapeutic targets in cancer due to their surface accessibility. However, their typically low abundance limits detection by conventional proteomic approaches. Methods: To improve PMP detection, we employed a surface proteomics workflow combining cell surface biotinylation and affinity purification prior to LC-MS/MS analysis in cervical (SiHa) and bladder (UMUC3) cancer cell lines cultured under normoxic (21% O2) or hypoxic (0.1% O2) conditions. Results: In SiHa cells, 43 hypoxia-upregulated proteins were identified exclusively in the biotin-enriched fraction, including ITGB2, ITGA7, AXL, MET, JAG2, and CAV1/CAV2. In UMUC3 cells, 32 unique upregulated PMPs were detected, including CD55, ADGRB1, SLC9A1, NECTIN3, and ACTG1. These proteins were not observed in corresponding whole-cell lysates and are associated with extracellular matrix remodelling, immune modulation, and ion transport. Biotinylation enhanced the detection of membrane-associated pathways such as ECM organisation, integrin signalling, and PI3K–Akt activation. Protein–protein interaction analysis revealed links between membrane receptors and intracellular stress regulators, including mitochondrial proteins. Conclusions: These findings demonstrate that surface biotinylation improves the sensitivity and selectivity of plasma membrane proteomics under hypoxia, revealing hypoxia-responsive proteins and pathways not captured by standard whole-cell analysis. Full article
(This article belongs to the Section Proteomics of Human Diseases and Their Treatments)
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19 pages, 5480 KiB  
Article
Numerical Study of the Filtration Performance for Electrospun Nanofiber Membranes
by Wenyuan Hu, Fuping Qian, Simin Cheng, Lumin Chen, Xiao Ma and Huaiyu Zhong
Appl. Sci. 2025, 15(15), 8667; https://doi.org/10.3390/app15158667 (registering DOI) - 5 Aug 2025
Abstract
To solve the limitations of these models for submicron materials like electrospun nanofiber membranes, a numerical simulation was used to construct a three-dimensional model closer to the actual structure to explore the filtration resistance and efficiency of these membranes. Based on the actual [...] Read more.
To solve the limitations of these models for submicron materials like electrospun nanofiber membranes, a numerical simulation was used to construct a three-dimensional model closer to the actual structure to explore the filtration resistance and efficiency of these membranes. Based on the actual polydisperse electrospun nanofiber filter, the three-dimensional structure (fiber diameter 280 nm–1300 nm, thickness 0.0150 mm–0.0240 mm, and solid volume fraction 11.3–17.7%) was reconstructed by GeoDict software. The filtration resistance was simulated with the FlowDict module (surface velocity 6.89 cm/s, 20 °C), and the filtration efficiency was calculated with the FilterDict module (2.5 μm particles, tracking 20,000). The results are compared with the experimental values, Davids empirical formula, Happel model, and Kuwabara model. The results show that the simulated values of filtration resistance are generally higher than the experimental values (deviation ≤ 20%), among which the simulation and experiment have the highest consistency, followed by the Davids formula (such as the relative error of 41.62% at 9% spinning solution concentration), and the Kuwabara model has the largest error (59.86%). The simulated value of filtration efficiency is higher than the experimental value (deviation ≤ 7%), because the model assumes that the particles adhere directly after contacting the fiber, and the actual sliding off is not considered. This study confirms that numerical simulation can efficiently predict the filtration performance of electrospun nanofiber membranes. Therefore, it provides a basis for optimizing material structure by adjusting spinning parameters and promoting the engineering application of submicron filter materials. Full article
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20 pages, 744 KiB  
Review
Chrysin: A Comprehensive Review of Its Pharmacological Properties and Therapeutic Potential
by Magdalena Kurkiewicz, Aleksandra Moździerz, Anna Rzepecka-Stojko and Jerzy Stojko
Pharmaceuticals 2025, 18(8), 1162; https://doi.org/10.3390/ph18081162 - 5 Aug 2025
Abstract
Flavonoids constitute a broad class of naturally occurring chemical compounds classified as polyphenols, widely present in various plants, fruits, and vegetables. They share a common flavone backbone, composed of two aromatic rings (A and B) connected by a three-carbon bridge forming a heterocyclic [...] Read more.
Flavonoids constitute a broad class of naturally occurring chemical compounds classified as polyphenols, widely present in various plants, fruits, and vegetables. They share a common flavone backbone, composed of two aromatic rings (A and B) connected by a three-carbon bridge forming a heterocyclic ring (C). One representative flavonoid is chrysin, a compound found in honey, propolis, and passionflower (Passiflora spp.). Chrysin exhibits a range of biological activities, including antioxidant, anti-inflammatory, anticancer, neuroprotective, and anxiolytic effects. Its biological activity is primarily attributed to the presence of hydroxyl groups, which facilitate the neutralization of free radicals and the modulation of intracellular signaling pathways. Cellular uptake of chrysin and other flavonoids occurs mainly through passive diffusion; however, certain forms may be transported via specific membrane-associated carrier proteins. Despite its therapeutic potential, chrysin’s bioavailability is significantly limited due to poor aqueous solubility and rapid metabolism in the gastrointestinal tract and liver, which reduces its systemic efficacy. Ongoing research aims to enhance chrysin’s bioavailability through the development of delivery systems such as lipid-based carriers and nanoparticles. Full article
(This article belongs to the Special Issue Exploring Natural Products with Antioxidant and Anticancer Properties)
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23 pages, 2316 KiB  
Article
Effect of Callistemon citrinus Phytosomes on Oxidative Stress in the Brains of Rats Fed a High-Fat–Fructose Diet
by Oliver Rafid Magaña-Rodríguez, Luis Gerardo Ortega-Pérez, Aram Josué García-Calderón, Luis Alberto Ayala-Ruiz, Jonathan Saúl Piñón-Simental, Asdrubal Aguilera-Méndez, Daniel Godínez-Hernández and Patricia Rios-Chavez
Biomolecules 2025, 15(8), 1129; https://doi.org/10.3390/biom15081129 - 5 Aug 2025
Abstract
Callistemon citrinus has shown antioxidant and anti-inflammatory properties in certain tissues. However, its impact on the brain remains unproven. This study investigates the effect of C. citrinus extract and phytosomes on the oxidative status of the brains of rats fed a high-fat–fructose diet [...] Read more.
Callistemon citrinus has shown antioxidant and anti-inflammatory properties in certain tissues. However, its impact on the brain remains unproven. This study investigates the effect of C. citrinus extract and phytosomes on the oxidative status of the brains of rats fed a high-fat–fructose diet (HFD). Fifty-four male Wistar rats were randomly divided into nine groups (n = 6). Groups 1, 2, and 3 received a standard chow diet; Group 2 also received the vehicle, and Group 3 was supplemented with C. citrinus extract (200 mg/kg). Groups 4, 5, 6, 7, 8, and 9 received a high-fat diet (HFD). Additionally, groups 5, 6, 7, 8, and 9 were supplemented with orlistat at 5 mg/kg, C. citrinus extract at 200 mg/kg, and phytosomes loaded with C. citrinus at doses of 50, 100, and 200 mg/kg, respectively. Administration was oral for 16 weeks. Antioxidant enzymes, biomarkers of oxidative stress, and fatty acid content in the brain were determined. A parallel artificial membrane permeability assay (PAMPA) was employed to identify compounds that can cross the intestinal and blood–brain barriers. The HFD group (group 4) increased body weight and adipose tissue, unlike the other groups. The brain fatty acid profile showed slight variations in all of the groups. On the other hand, group 4 showed a decrease in the activities of antioxidant enzymes SOD, CAT, and PON. It reduced GSH level, while increasing GPx activity as well as MDA, 4-HNE, and AOPP levels. C. citrinus extract and phytosomes restore the antioxidant enzyme activities and mitigate oxidative stress in the brain. C. citrinus modulates oxidative stress in brain tissue through 1.8-cineole and α-terpineol, which possess antioxidant and anti-inflammatory properties. Full article
(This article belongs to the Special Issue Natural Bioactives as Leading Molecules for Drug Development)
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22 pages, 1000 KiB  
Review
Is the Activation of the Postsynaptic Ligand Gated Glycine- or GABAA Receptors Essential for the Receptor Clustering at Inhibitory Synapses?
by Eva Kiss, Joachim Kirsch, Jochen Kuhse and Stefan Kins
Biomedicines 2025, 13(8), 1905; https://doi.org/10.3390/biomedicines13081905 - 5 Aug 2025
Abstract
One major challenge in cellular neuroscience is to elucidate how the accurate alignment of presynaptic release sites with postsynaptic densely clustered ligand-gated ion channels at chemical synapses is achieved upon synapse assembly. The clustering of neurotransmitter receptors at postsynaptic sites is a key [...] Read more.
One major challenge in cellular neuroscience is to elucidate how the accurate alignment of presynaptic release sites with postsynaptic densely clustered ligand-gated ion channels at chemical synapses is achieved upon synapse assembly. The clustering of neurotransmitter receptors at postsynaptic sites is a key moment of synaptogenesis and determinant for effective synaptic transmission. The number of the ionotropic neurotransmitter receptors at these postsynaptic sites of both excitatory and inhibitory synapses is variable and is regulated by different mechanisms, thus allowing the modulation of synaptic strength, which is essential to tune neuronal network activity. Several well-regulated processes seem to be involved, including lateral diffusion within the plasma membrane and local anchoring as well as receptor endocytosis and recycling. The molecular mechanisms implicated are numerous and were reviewed recently in great detail. The role of pre-synaptically released neurotransmitters within the complex regulatory apparatus organizing the postsynaptic site underneath presynaptic terminals is not completely understood, even less for inhibitory synapses. In this mini review article, we focus on this aspect of synapse formation, summarizing and contrasting findings on the functional role of the neurotransmitters glycine and γ-aminobutyric acid (GABA) for initiation of postsynaptic receptor clustering and regulation of Cl channel receptor numbers at inhibitory synapses gathered over the last two decades. Full article
(This article belongs to the Special Issue Synaptic Function and Modulation in Health and Disease)
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20 pages, 4055 KiB  
Article
Biphasic Salt Effects on Lycium ruthenicum Germination and Growth Linked to Carbon Fixation and Photosynthesis Gene Expression
by Xinmeng Qiao, Ruyuan Wang, Lanying Liu, Boya Cui, Xinrui Zhao, Min Yin, Pirui Li, Xu Feng and Yu Shan
Int. J. Mol. Sci. 2025, 26(15), 7537; https://doi.org/10.3390/ijms26157537 (registering DOI) - 4 Aug 2025
Abstract
Since the onset of industrialization, the safety of arable land has become a pressing global concern, with soil salinization emerging as a critical threat to agricultural productivity and food security. To address this challenge, the cultivation of economically valuable salt-tolerant plants has been [...] Read more.
Since the onset of industrialization, the safety of arable land has become a pressing global concern, with soil salinization emerging as a critical threat to agricultural productivity and food security. To address this challenge, the cultivation of economically valuable salt-tolerant plants has been proposed as a viable strategy. In the study, we investigated the physiological and molecular responses of Lycium ruthenicum Murr. to varying NaCl concentrations. Results revealed a concentration-dependent dual effect: low NaCl levels significantly promoted seed germination, while high concentrations exerted strong inhibitory effects. To elucidate the mechanisms underlying these divergent responses, a combined analysis of metabolomics and transcriptomics was applied to identify key metabolic pathways and genes. Notably, salt stress enhanced photosynthetic efficiency through coordinated modulation of ribulose 5-phosphate and erythrose-4-phosphate levels, coupled with the upregulation of critical genes encoding RPIA (Ribose 5-phosphate isomerase A) and RuBisCO (Ribulose-1,5-bisphosphate carboxylase/oxygenase). Under low salt stress, L. ruthenicum maintained intact cellular membrane structures and minimized oxidative damage, thereby supporting germination and early growth. In contrast, high salinity severely disrupted PS I (Photosynthesis system I) functionality, blocking energy flow into this pathway while simultaneously inducing membrane lipid peroxidation and triggering pronounced cellular degradation. This ultimately suppressed seed germination rates and impaired root elongation. These findings suggested a mechanistic framework for understanding L. ruthenicum adaptation under salt stress and pointed out a new way for breeding salt-tolerant crops and understanding the mechanism. Full article
(This article belongs to the Section Molecular Biology)
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11 pages, 1507 KiB  
Article
Peony Root Extract Controls AGE–RAGE Interaction, Suppresses AGE Formation, and Reduces Skin Dullness
by Kyoko Kanai, Kazal Boron Biswas, Asuka Hirasawa, Misaki Futamura, Kiyotaka Tanaka and Kotaro Sakamoto
Cosmetics 2025, 12(4), 163; https://doi.org/10.3390/cosmetics12040163 - 4 Aug 2025
Abstract
Skin dullness contributes to a fatigued and aged appearance, often exceeding one’s biological age. It is a common dermatological concern influenced by aging and poor lifestyle habits, regardless of ethnicity or age. This study aimed to examine advanced glycation end products (AGEs) and [...] Read more.
Skin dullness contributes to a fatigued and aged appearance, often exceeding one’s biological age. It is a common dermatological concern influenced by aging and poor lifestyle habits, regardless of ethnicity or age. This study aimed to examine advanced glycation end products (AGEs) and their receptor (receptor for AGEs [RAGE]) as contributing factors to skin dullness. AGEs themselves have a yellowish hue, contributing to “yellow dullness.” Additionally, AGE–RAGE signaling promotes melanin production in melanocytes and impairs keratinocyte differentiation as a result of inflammation. Therefore, regulating the AGE–RAGE interaction may help reduce skin dullness. Through screening various natural ingredients, we found that peony root extract (PRE) inhibits AGE formation and blocks AGE–RAGE binding. Furthermore, the presence of PRE leads to the suppression of AGE-induced melanin production in melanocytes and the restoration of impaired keratinocyte differentiation in glycated basement membrane components. In a human clinical study, topical application of a 1% PRE-containing lotion for 2 weeks significantly reduced melanin content, with a trend toward decreased AGE accumulation and visible spots on the cheeks. These findings support the potential of PRE as a multifunctional cosmetic ingredient that comprehensively addresses skin dullness by modulating the AGE–RAGE interaction. Full article
(This article belongs to the Special Issue Skin Anti-Aging Strategies)
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22 pages, 5293 KiB  
Article
Membrane Distillation for Water Desalination: Assessing the Influence of Operating Conditions on the Performance of Serial and Parallel Connection Configurations
by Lebea N. Nthunya and Bhekie B. Mamba
Membranes 2025, 15(8), 235; https://doi.org/10.3390/membranes15080235 - 4 Aug 2025
Abstract
Though the pursuit of sustainable desalination processes with high water recovery has intensified the research interest in membrane distillation (MD), the influence of module connection configuration on performance stability remains poorly explored. The current study provided a comprehensive multiparameter assessment of hollow fibre [...] Read more.
Though the pursuit of sustainable desalination processes with high water recovery has intensified the research interest in membrane distillation (MD), the influence of module connection configuration on performance stability remains poorly explored. The current study provided a comprehensive multiparameter assessment of hollow fibre membrane modules connected in parallel and series in direct contact membrane distillation (DCMD) for the first time. The configurations were evaluated under varying process parameters such as temperature (50–70 °C), flow rates (22.1–32.3 mL·s−1), magnesium concentration as scalant (1.0–4.0 g·L−1), and flow direction (co-current and counter-current), assessing their influence on temperature gradients (∆T), flux and pH stability, salt rejection, and crystallisation. Interestingly, the parallel module configuration maintained high operational stability with uniform flux and temperature differences (∆T) even at high recovery factors (>75%). On one hand, the serial configuration experienced fluctuating ∆T caused by thermal and concentration polarisation, causing an early crystallisation (abrupt drop in feed conductivity). Intensified polarisation effects with accelerated crystallisation increased the membrane risk of wetting, particularly at high recovery factors. Despite these changes, the salt rejection remained relatively high (99.9%) for both configurations across all tested conditions. The findings revealed that acidification trends caused by MgSO4 were configuration-dependent, where the parallel setup-controlled rate of pH collapse. This study presented a novel framework connecting membrane module architecture to mass and heat transfer phenomena, providing a transformative DCMD module configuration design in water desalination. These findings not only provide the critical knowledge gaps in DCMD module configurations but also inform optimisation of MD water desalination to achieve high recovery and stable operation conditions under realistic brine composition. Full article
(This article belongs to the Special Issue Membrane Distillation: Module Design and Application Performance)
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27 pages, 2221 KiB  
Article
Effects of ε-Poly-L-Lysine/Chitosan Composite Coating on the Storage Quality, Reactive Oxygen Species Metabolism, and Membrane Lipid Metabolism of Tremella fuciformis
by Junzheng Sun, Yingying Wei, Longxiang Li, Mengjie Yang, Yusha Liu, Qiting Li, Shaoxiong Zhou, Chunmei Lai, Junchen Chen and Pufu Lai
Int. J. Mol. Sci. 2025, 26(15), 7497; https://doi.org/10.3390/ijms26157497 (registering DOI) - 3 Aug 2025
Viewed by 53
Abstract
This study aimed to investigate the efficacy of a composite coating composed of 150 mg/L ε-Poly-L-lysine (ε-PL) and 5 g/L chitosan (CTS) in extending the shelf life and maintaining the postharvest quality of fresh Tremella fuciformis. Freshly harvested T. fuciformis were treated [...] Read more.
This study aimed to investigate the efficacy of a composite coating composed of 150 mg/L ε-Poly-L-lysine (ε-PL) and 5 g/L chitosan (CTS) in extending the shelf life and maintaining the postharvest quality of fresh Tremella fuciformis. Freshly harvested T. fuciformis were treated by surface spraying, with distilled water serving as the control. The effects of the coating on storage quality, physicochemical properties, reactive oxygen species (ROS) metabolism, and membrane lipid metabolism were evaluated during storage at (25 ± 1) °C. The results showed that the ε-PL/CTS composite coating significantly retarded quality deterioration, as evidenced by reduced weight loss, maintained whiteness and color, and higher retention of soluble sugars, soluble solids, and soluble proteins. The coating also effectively limited water migration and loss. Mechanistically, the coated T. fuciformis exhibited enhanced antioxidant capacity, characterized by increased superoxide anion (O2) resistance capacity, higher activities of antioxidant enzymes (SOD, CAT, APX), and elevated levels of non-enzymatic antioxidants (AsA, GSH). This led to a significant reduction in malondialdehyde (MDA) accumulation, alongside improved DPPH radical scavenging activity and reducing power. Furthermore, the ε-PL/CTS coating preserved cell membrane integrity by inhibiting the activities of lipid-degrading enzymes (lipase, LOX, PLD), maintaining higher levels of key phospholipids (phosphatidylinositol and phosphatidylcholine), delaying phosphatidic acid accumulation, and consequently reducing cell membrane permeability. In conclusion, the ε-PL/CTS composite coating effectively extends the shelf life and maintains the quality of postharvest T. fuciformis by modulating ROS metabolism and preserving membrane lipid homeostasis. This study provides a theoretical basis and a practical approach for the quality control of fresh T. fuciformis. Full article
(This article belongs to the Section Biochemistry)
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24 pages, 6999 KiB  
Article
Plasmid DNA Delivery to Cancer Cells with Poly(L-lysine)-Based Copolymers Bearing Thermally Sensitive Segments: Balancing Polyplex Tightness, Transfection Efficiency, and Biocompatibility
by Mustafa Kotmakci, Natalia Toncheva-Moncheva, Sahar Tarkavannezhad, Bilge Debelec Butuner, Ivaylo Dimitrov and Stanislav Rangelov
Pharmaceutics 2025, 17(8), 1012; https://doi.org/10.3390/pharmaceutics17081012 - 2 Aug 2025
Viewed by 229
Abstract
Background/Objectives. Efficient nucleic acid delivery into target cells remains a critical challenge in gene therapy. Due to its advantages in biocompatibility and safety, recent research has increasingly focused on non-viral gene delivery. Methods. A series of copolymers—synthesized by integrating thermally sensitive poly(N-isopropylacrylamide) [...] Read more.
Background/Objectives. Efficient nucleic acid delivery into target cells remains a critical challenge in gene therapy. Due to its advantages in biocompatibility and safety, recent research has increasingly focused on non-viral gene delivery. Methods. A series of copolymers—synthesized by integrating thermally sensitive poly(N-isopropylacrylamide) (PNIPAm), hydrophilic poly(ethylene glycol) (PEG) grafts, and a polycationic poly(L-lysine) (PLL) block of varying lengths ((PNIPAm)77-graft-(PEG)9-block-(PLL)z, z = 10–65)—were investigated. Plasmid DNA complexation with the copolymers was achieved through temperature-modulated methods. The resulting polyplexes were characterized by evaluating complex strength, particle size, zeta potential, plasmid DNA loading capacity, resistance to anionic stress, stability in serum, and lysosomal membrane destabilization assay. The copolymers’ potential for plasmid DNA delivery was assessed through cytotoxicity and transfection studies in cancer cell lines. Results. Across all complexation methods, the copolymers effectively condensed plasmid DNA into stable polyplexes. Particle sizes (60–90 nm) ranged with no apparent correlation to copolymer type, complexation method, or N/P ratio, whereas zeta potentials (+10–+20 mV) and resistance to polyanionic stress were dependent on the PLL length and N/P ratio. Cytotoxicity analysis revealed a direct correlation between PLL chain length and cell viability, with all copolymers demonstrating minimal cytotoxicity at concentrations required for efficient transfection. PNL-20 ((PNIPAm)77-graft-(PEG)9-block-(PLL)20) exhibited the highest transfection efficiency among the tested formulations while maintaining low cytotoxicity. Conclusions. The study highlights the promising potential of (PNIPAm)77-graft-(PEG)9-block-(PLL)z copolymers for effective plasmid DNA delivery to cancer cells. It reveals the importance of attaining the right balance between polyplex tightness and plasmid release to achieve improved biocompatibility and transfection efficiency. Full article
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20 pages, 4215 KiB  
Article
Influence of Membrane Composition on the Passive Membrane Penetration of Industrially Relevant NSO-Heterocycles
by Zsófia Borbála Rózsa, Tamás Horváth, Béla Viskolcz and Milán Szőri
Int. J. Mol. Sci. 2025, 26(15), 7427; https://doi.org/10.3390/ijms26157427 (registering DOI) - 1 Aug 2025
Viewed by 103
Abstract
This study investigates how phospholipid headgroups influence passive membrane penetration and structural impact of four nitrogen-, sulfur-, and oxygen-containing heterocycles (NSO-HETs)—N-methyl-2-pyrrolidone (PIR), 1,4-dioxane (DIOX), oxane (OXA), and phenol (PHE). Using all-atom molecular dynamics simulations combined with Accelerated Weight Histogram free energy calculations, the [...] Read more.
This study investigates how phospholipid headgroups influence passive membrane penetration and structural impact of four nitrogen-, sulfur-, and oxygen-containing heterocycles (NSO-HETs)—N-methyl-2-pyrrolidone (PIR), 1,4-dioxane (DIOX), oxane (OXA), and phenol (PHE). Using all-atom molecular dynamics simulations combined with Accelerated Weight Histogram free energy calculations, the passive transport of NSO-HETs across DPPC, DPPE, DPPA, and DPPG bilayers was characterized. DPPG showed the highest membrane affinity, increasing permeability (logPmemb/bulk) by 27–64% compared to DPPE, associated with the lowest permeability and tightest lipid packing. Free energy barriers are also decreased in DPPG relative to DPPE; PIR’s central barrier dropped from 19.2 kJ/mol (DPPE) to 16.6 kJ/mol (DPPG), while DIOX’s barrier decreased from 7.2 to 5.2 kJ/mol. OXA exhibited the lowest central barriers (1.2–2.2 kJ/mol) and uniquely accumulated at higher concentrations in the bilayer center than in bulk water, with free energy ranging from −3.4 to −5.9 kJ/mol. PHE and OXA caused significant bilayer thinning (up to 11%) and reduced lipid tail order, especially in DPPE and DPPA. Concentration effects were most pronounced in DPPE, where high solute loading disrupted lipid order and altered free energy profiles. These results highlight the crucial role of headgroup identity in modulating NSO-HET membrane permeability and structural changes. Full article
(This article belongs to the Section Macromolecules)
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34 pages, 4196 KiB  
Review
Surface Interface Modulation and Photocatalytic Membrane Technology for Degradation of Oily Wastewater
by Yulin Zhao, Yang Xu, Chunling Yu, Yufan Feng, Geng Chen and Yingying Zhu
Catalysts 2025, 15(8), 730; https://doi.org/10.3390/catal15080730 (registering DOI) - 31 Jul 2025
Viewed by 219
Abstract
The discharge of oily wastewater threatens the ecosystem and human health, and the efficient treatment of oily wastewater is confronted with problems of high mass transfer resistance at the oil-water-solid multiphase interface, significant light shielding effect, and easy deactivation of photocatalysts. Although traditional [...] Read more.
The discharge of oily wastewater threatens the ecosystem and human health, and the efficient treatment of oily wastewater is confronted with problems of high mass transfer resistance at the oil-water-solid multiphase interface, significant light shielding effect, and easy deactivation of photocatalysts. Although traditional physical separation methods avoid secondary pollution by chemicals and can effectively separate floating oil and dispersed oil, they are ineffective in removing emulsified oil with small particle sizes. To address these complex challenges, photocatalytic technology and photocatalysis-based improved technologies have emerged, offering significant application prospects in degrading organic pollutants in oily wastewater as an environmentally friendly oxidation technology. In this paper, the degradation mechanism, kinetic mechanism, and limitations of conventional photocatalysis technology are briefly discussed. Subsequently, the surface interface modulation functions of metal doping and heterojunction energy band engineering, along with their applications in enhancing the light absorption range and carrier separation efficiency, are reviewed. Focus on typical studies on the separation and degradation of aqueous and oily phases using photocatalytic membrane technology, and illustrate the advantages and mechanisms of photocatalysts loaded on the membranes. Finally, other new approaches and converging technologies in the field are outlined, and the challenges and prospects for the future treatment of oily wastewater are presented. Full article
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26 pages, 21618 KiB  
Review
Highly Versatile Photonic Integration Platform on an Indium Phosphide Membrane
by Sander Reniers, Yi Wang, Salim Abdi, Jasper de Graaf, Aleksandr Zozulia, Kevin Williams and Yuqing Jiao
Chips 2025, 4(3), 32; https://doi.org/10.3390/chips4030032 - 31 Jul 2025
Viewed by 95
Abstract
The fast-maturing photonic integration technology is calling for a versatile platform that supports both active and passive functions as well as high scalability through component miniaturization. Indium phosphide (InP) has long been recognized for its ability to deliver a comprehensive suite of photonic [...] Read more.
The fast-maturing photonic integration technology is calling for a versatile platform that supports both active and passive functions as well as high scalability through component miniaturization. Indium phosphide (InP) has long been recognized for its ability to deliver a comprehensive suite of photonic components. InP membrane technology has emerged as a next-generation solution that could unite the functional completeness with high scalability. This paper describes recent advancements in the InP-membrane-on-Si (IMOS) platform, which supports high-performance passives, polarization and mode handling, native light sources, amplifiers, modulators and detectors, and novel material integration. Full article
(This article belongs to the Special Issue Silicon Photonic Integrated Circuits: Advancements and Challenges)
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19 pages, 3737 KiB  
Article
Short-Term Morphological Response of Polypropylene Membranes to Hypersaline Lithium Fluoride Solutions: A Multiscale Modeling Approach
by Giuseppe Prenesti, Pierfrancesco Perri, Alessia Anoja, Agostino Lauria, Carmen Rizzuto, Alfredo Cassano, Elena Tocci and Alessio Caravella
Int. J. Mol. Sci. 2025, 26(15), 7380; https://doi.org/10.3390/ijms26157380 - 30 Jul 2025
Viewed by 181
Abstract
Understanding the early-stage physical interactions between polymeric membranes and supersaturated salt solutions is crucial for advancing membrane-assisted crystallization (MCr) processes. In this study, we employed molecular dynamics (MD) simulations to investigate the short-term morphological response of an isotactic polypropylene (PP) membrane in contact [...] Read more.
Understanding the early-stage physical interactions between polymeric membranes and supersaturated salt solutions is crucial for advancing membrane-assisted crystallization (MCr) processes. In this study, we employed molecular dynamics (MD) simulations to investigate the short-term morphological response of an isotactic polypropylene (PP) membrane in contact with LiF solutions at different concentrations (5.8 M and 8.9 M) and temperatures (300–353 K), across multiple time points (0, 150, and 300 ns). These data were used as input for computational fluid dynamics (CFD) analysis to evaluate structural descriptors of the membrane, including tortuosity, connectivity, void fraction, anisotropy, and deviatoric anisotropy, under varying thermodynamic conditions. The results show subtle but consistent rearrangements of polymer chains upon exposure to the hypersaline environment, with a marked reduction in anisotropy and connectivity, indicating a more compact and isotropic local structure. Surface charge density analyses further suggest a temperature- and concentration-dependent modulation of chain mobility and terminal group orientation at the membrane–solution interface. Despite localized rearrangements, the membrane consistently maintains a net negative surface charge. This electrostatic feature may influence ion–membrane interactions during the crystallization process. While these non-reactive, short-timescale simulations do not capture long-term degradation or fouling mechanisms, they provide mechanistic insight into the initial physical response of PP membranes under MCr-relevant conditions. This study lays a computational foundation for future investigations bridging atomistic modeling and membrane performance in real-world applications. Full article
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