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1.
Pharmacol Res ; 208: 107400, 2024 Oct.
Article in English | MEDLINE | ID: mdl-39251100

ABSTRACT

In aqueous environment amphiphilic molecules organize themselves into supramolecular structures deeply affecting the chemo-physical properties. Supramolecular assemby is also crucial in the pharmaceutical development of bioactive lipophilic molecules whose attitude to self-aggregate is a recognized factor affecting the in vivo pharmacokinetic, but can also play a crucial role in the interaction with the biological targets in in vitro tests. In aqueous solution, amphiphilic drugs exist in a complex equilibrium involving free monomers, oligomers and larger supramolecular aggregates held together by noncovalent bonds. In this review we focus our attention on the dual effect of drugs self-assembly, which can both reduce the availability of active compounds and create multivalent scaffolds, potentially improving binding affinity and avidity to cellular targets. We examine the effect of aggregation on different classes of amphiphatic molecules with significant biological activities, such as immunomodulatory, anti-tumor, antiviral, and antibiotic. Our purpose is to provide a comprehensive overview of how supramolecular chemistry influences the pharmacological and biological responses of amphiphilic molecules, emphasizing the need to consider these effects in early-stage drug development and in vitro testing. By elucidating these phenomena, this review aims to offer insights into optimizing drug design and formulation to overcome challenges posed by self-aggregation.


Subject(s)
Colloids , Surface-Active Agents , Humans , Animals , Surface-Active Agents/chemistry , Surface-Active Agents/pharmacology , Pharmaceutical Preparations/chemistry
2.
ACS Appl Mater Interfaces ; 16(38): 50474-50483, 2024 Sep 25.
Article in English | MEDLINE | ID: mdl-39287334

ABSTRACT

Organophosphate (OP) intoxication has become a severe common health matter all over the world. For the treatment of acute OP poisoning, the effective intracerebral delivery of acetylcholinesterase reactivators is crucial. Here, an amphiphilic hydrazide-pillar[5]arene (HP5A-6C), which could be readily integrated into liposomal bilayers' zwitterionic disaturated phosphatidylcholine (DSPC), was synthesized. A T7 peptide-containing guest (G) was attached on the surface via a noncovalent interaction to make mixed liposomes a particularly appealing candidate for brain-targeting delivery. Such coassembly could remain stable at room temperature for up to 6 weeks, and safety evaluations initially verified its fine biological compatibility. The hydrophilic interiors of T7/HP5A-6C@DSPC could further load HI-6 with 89.70% encapsulation efficiency. Support for brain-targeting potency came from imaging results. Notably, intravenous injection of HI-6-loaded vesicles exhibited a remarkable therapeutic effect on paraoxon (POX)-poisoned mice, effectively alleviating seizures and brain damage and significantly increasing the improving survival rate to 60% over the course of 7 days.


Subject(s)
Calixarenes , Liposomes , Paraoxon , Liposomes/chemistry , Animals , Mice , Paraoxon/toxicity , Paraoxon/chemistry , Calixarenes/chemistry , Quaternary Ammonium Compounds/chemistry , Brain/drug effects , Brain/metabolism , Brain/pathology , Organophosphate Poisoning/drug therapy , Male , Surface-Active Agents/chemistry , Cholinesterase Reactivators/chemistry , Cholinesterase Reactivators/pharmacology , Cholinesterase Reactivators/therapeutic use
3.
AAPS PharmSciTech ; 25(7): 221, 2024 Sep 24.
Article in English | MEDLINE | ID: mdl-39317842

ABSTRACT

This study aims to enhance the solubility of Olaparib, classified as biopharmaceutical classification system (BCS) class IV due to its low solubility and bioavailability using a solid self-nanoemulsifying drug delivery system (S-SNEDDS). For this purpose, SNEDDS formulations were created using Capmul MCM as the oil, Tween 80 as the surfactant, and PEG 400 as the co-surfactant. The SNEDDS formulation containing olaparib (OLS-352), selected as the optimal formulation, showed a mean droplet size of 87.0 ± 0.4 nm and drug content of 5.53 ± 0.09%. OLS-352 also demonstrated anticancer activity against commonly studied ovarian (SK-OV-3) and breast (MCF-7) cancer cell lines. Aerosil® 200 and polyvinylpyrrolidone (PVP) K30 were selected as solid carriers, and S-SNEDDS formulations were prepared using the spray drying method. The drug concentration in S-SNEDDS showed no significant changes (98.4 ± 0.30%, 25℃) with temperature fluctuations during the 4-week period, demonstrating improved storage stability compared to liquid SNEDDS (L-SNEDDS). Dissolution tests under simulated gastric and intestinal conditions revealed enhanced drug release profiles compared to those of the raw drug. Additionally, the S-SNEDDS formulation showed a fourfold greater absorption in the Caco-2 assay than the raw drug, suggesting that S-SNEDDS could improve the oral bioavailability of poorly soluble drugs like olaparib, thus enhancing therapeutic outcomes. Furthermore, this study holds significance in crafting a potent and cost-effective pharmaceutical formulation tailored for the oral delivery of poorly soluble drugs.


Subject(s)
Biological Availability , Drug Delivery Systems , Emulsions , Phthalazines , Piperazines , Solubility , Piperazines/chemistry , Piperazines/administration & dosage , Piperazines/pharmacokinetics , Humans , Phthalazines/chemistry , Phthalazines/administration & dosage , Phthalazines/pharmacokinetics , Phthalazines/pharmacology , Emulsions/chemistry , Drug Delivery Systems/methods , Cell Line, Tumor , Drug Stability , Chemistry, Pharmaceutical/methods , Particle Size , Antineoplastic Agents/administration & dosage , Antineoplastic Agents/pharmacokinetics , Antineoplastic Agents/chemistry , Antineoplastic Agents/pharmacology , Surface-Active Agents/chemistry , Drug Carriers/chemistry , Polyethylene Glycols/chemistry , MCF-7 Cells , Drug Liberation , Nanoparticles/chemistry , Drug Compounding/methods
4.
Molecules ; 29(18)2024 Sep 10.
Article in English | MEDLINE | ID: mdl-39339279

ABSTRACT

Olive mill wastewater (OMW) poses a significant environmental challenge and health concern in olive-producing countries, including Jordan. Surfactant micelles are frequently employed as solubilizing agents to enhance the water solubility of chemical compounds. This study aims to leverage the sodium dodecyl sulfate (SDS) micelles in a multi-step process to detoxify OMW for agricultural and industrial uses and reduce its impact. The OMW was treated in multiple steps: screening, coagulation with different chemicals, and distillation with different surfactants. The treatment steps were monitored using LC-MS, GC-MS, ICP-MS, chemical oxygen demand contents, and total phenolic compounds. The detoxification of OMW was evaluated using standard germination assays, MTT assays using tissue culture, and toxicity assays using fluorescence bacteria. Following the treatment, the seed growth rate improved significantly from 0% to 100%. The GC-MS revealed a substantial decrease in pollutants. The concentration of polyphenols was reduced to 2.5%, while the COD level decreased to 35%. The toxicity in bacteria was significantly reduced in a time-dependent manner, and the toxicity in human cells decreased by 95%. Additionally, between 50% and 95% of metals in OMW were removed. The multi-step SDS-based approach successfully detoxified the OMW and enhanced water quality, which would pave the road for its direct application in industry and agriculture.


Subject(s)
Olea , Surface-Active Agents , Wastewater , Water Pollutants, Chemical , Wastewater/chemistry , Surface-Active Agents/chemistry , Humans , Olea/chemistry , Water Pollutants, Chemical/chemistry , Water Purification/methods , Sodium Dodecyl Sulfate/chemistry , Gas Chromatography-Mass Spectrometry , Industrial Waste/analysis , Biological Oxygen Demand Analysis
5.
Molecules ; 29(18)2024 Sep 10.
Article in English | MEDLINE | ID: mdl-39339281

ABSTRACT

In this paper, a series of tetrameric surfactants (4CnSAZs, n = 12, 14, 16) endowed with zwitterionic characteristic were synthesized by a simple and convenient method and their structures were characterized by FT-IR, 1H NMR and elemental analysis. Their physicochemical properties were studied using the Wilhelmy plate method, fluorescence spectra and dynamic light scattering technique. 4CnSAZs have higher surface activities and tend to adsorb at the air/water surface rather than self-assembling in aqueous solution. The thermodynamic parameters obtained from surface tension measurements show that both processes of adsorption and micellization of 4CnSAZs are spontaneous and that the micellization processes of 4CnSAZs are entropy-driven processes. Both adsorption and micellization of 4CnSAZs are inclined to occur with the increase of alkyl chain length or temperature. For 4C12SAZs, there are only small-size aggregates (micelles), while the large aggregates (vesicles) are observed at the alkyl length of 4CnSAZs of 14 or 16. This shows that the alkyl chain length for oligomeric surfactants has a greater sensitivity for aggregate growth. The aggregate morphologies obtained from the calculated values of critical packing parameter (p) for 4C14SAZs and 4C16SAZs can be supported by the DLS measurement results. The test results obtained by the separation-water-time method show that 4CnSAZs have good emulsification performance and that the prepared emulsions appear to exit in the form of multiple emulsions. In addition, 4CnSAZs have good antibacterial activities against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). The present study reveals the unique behavior of a zwitterionic tetrameric surfactant and may give new insights into molecular design and synthesis of a high degree of surfactants with different structure characteristics for potential application in various industrial fields.


Subject(s)
Anti-Bacterial Agents , Surface-Active Agents , Surface-Active Agents/chemistry , Surface-Active Agents/pharmacology , Surface-Active Agents/chemical synthesis , Anti-Bacterial Agents/pharmacology , Anti-Bacterial Agents/chemistry , Anti-Bacterial Agents/chemical synthesis , Surface Tension , Thermodynamics , Emulsions/chemistry , Microbial Sensitivity Tests , Micelles , Staphylococcus aureus/drug effects , Adsorption , Surface Properties , Escherichia coli/drug effects
6.
Microb Cell Fact ; 23(1): 245, 2024 Sep 11.
Article in English | MEDLINE | ID: mdl-39261862

ABSTRACT

BACKGROUND: Sophorolipids are glycolipid biosurfactants with potential antibacterial, antifungal, and anticancer applications, rendering them promising for research. Therefore, this study hypothesizes that sophorolipids may have a notable impact on disrupting membrane integrity and triggering the production of reactive oxygen species, ultimately resulting in the eradication of pathogenic microbes. RESULTS: The current study resulted in the isolation of two Metschnikowia novel yeast strains. Sophorolipids production from these strains reached maximum yields of 23.24 g/l and 21.75 g/l, respectively, at the bioreactors level. Biosurfactants sophorolipids were characterized using FTIR and LC-MS techniques and found to be a mixture of acidic and lactonic forms with molecular weights of m/z 678 and 700. Our research elucidated sophorolipids' mechanism in disrupting bacterial and fungal membranes through ROS generation, confirmed by transmission electron microscopy and FACS analysis. The results showed that these compounds disrupted the membrane integrity and induced ROS production, leading to cell death in Klebsiella pneumoniae and Fusarium solani. In addition, the anticancer properties of sophorolipids were investigated on the A549 lung cancer cell line and found that sophorolipid-11D (SL-11D) and sophorolipid-11X (SL-11X) disrupted the actin cytoskeleton, as evidenced by immunofluorescence microscopy. The A549 cells were stained with Acridine orange/Ethidium bromide, which showed that they underwent necrosis. This was confirmed by flow cytometric analysis using Annexin/PI staining. The SL-11D and SL-11X molecules exhibited low levels of haemolytic activity and in-vitro cytotoxicity in HEK293, Caco-2, and L929 cell lines. CONCLUSION: In this work, novel yeast species CIG-11DT and CIG-11XT, isolated from the bee's gut, produce significant yields of sophorolipids without needing secondary oil sources, indicating a more economical production method. Our research shows that sophorolipids disrupt bacterial and fungal membranes via ROS production. They suggest they may act as chemo-preventive agents by inducing apoptosis in lung cancer cells, offering the potential for enhancing anticancer therapies.


Subject(s)
Antifungal Agents , Antineoplastic Agents , Metschnikowia , Oxidative Stress , Reactive Oxygen Species , Surface-Active Agents , Antifungal Agents/pharmacology , Antifungal Agents/chemistry , Antifungal Agents/metabolism , Humans , Surface-Active Agents/pharmacology , Surface-Active Agents/metabolism , Surface-Active Agents/chemistry , Oxidative Stress/drug effects , Antineoplastic Agents/pharmacology , Reactive Oxygen Species/metabolism , A549 Cells , Metschnikowia/metabolism , Metschnikowia/drug effects , Fusarium/drug effects , Fusarium/metabolism , Klebsiella pneumoniae/drug effects , Glycolipids/pharmacology , Glycolipids/metabolism , Microbial Sensitivity Tests , Oleic Acids
7.
Rev Bras Parasitol Vet ; 33(3): e009424, 2024.
Article in English | MEDLINE | ID: mdl-39258600

ABSTRACT

In the aquaculture industry, biocides are routinely used to treat parasitosis in fish, and researchers are continually developing sustainable alternatives that can replace these harsh chemicals. In this context, the objective of this study was to evaluate the effectiveness of a new natural compound, BiokosTM, for the treatment against Epistylis sp. in Carassius auratus fish. The infestation was identified by the presence of whitish plaques on the integument of five animals, and the diagnosis was confirmed through skin scrapings. BiokosTM is a lipopeptide derived from the bacteria Pseudomonas that can destroy the functionality of the cell membrane of ciliated protozoa. The action of BiokosTM does not harm animals and the environment because the compound degrades into amino acids and fatty acids within days. A 0.15 m3 (150 L) aquarium was treated with an Ich-AwayTM water conditioner manufactured by the Danish company Sundew ApS, which has BiokosTM as the active ingredient. Six tablets were added to the water daily for two days, and new skin scrapings were performed. The fish were clinically well and no longer possessed lesions or parasites. The results obtained indicate that BiokosTM can be an innovative and more sustainable alternative for controlling epistyliasis in ornamental fish.


Subject(s)
Fish Diseases , Goldfish , Lipopeptides , Pseudomonas , Animals , Goldfish/parasitology , Fish Diseases/parasitology , Fish Diseases/drug therapy , Pseudomonas/isolation & purification , Pseudomonas/drug effects , Lipopeptides/therapeutic use , Surface-Active Agents , Ciliophora Infections/veterinary , Ciliophora Infections/drug therapy , Hymenostomatida/drug effects
8.
AAPS PharmSciTech ; 25(7): 203, 2024 Sep 05.
Article in English | MEDLINE | ID: mdl-39237802

ABSTRACT

Normal skin is the first line of defense in the human body. A burn injury makes the skin susceptible to bacterial infection, thereby delaying wound healing and ultimately leading to sepsis. The chances of biofilm formation are high in burn wounds due to the presence of avascular necrotic tissue. The most common pathogen to cause burn infection and biofilm is Pseudomonas aeruginosa. The purpose of this study was to create a microemulsion (ME) formulation for topical application to treat bacterial burn infection. In the present study, tea tree oil was used as the oil phase, Tween 80 and transcutol were used as surfactants, and water served as the aqueous phase. Pseudo ternary phase diagrams were used to determine the design space. The ranges of components as suggested by the design were chosen, optimization of the microemulsion was performed, and in vitro drug release was assessed. Based on the characterization studies performed, it was found that the microemulsion were formulated properly, and the particle size obtained was within the desired microemulsion range of 10 to 300 nm. The I release study showed that the microemulsion followed an immediate release profile. The formulation was further tested based on its ability to inhibit biofilm formation and bacterial growth. The prepared microemulsion was capable of inhibiting biofilm formation.


Subject(s)
Anti-Bacterial Agents , Biofilms , Burns , Drug Delivery Systems , Emulsions , Pseudomonas aeruginosa , Biofilms/drug effects , Burns/drug therapy , Burns/microbiology , Pseudomonas aeruginosa/drug effects , Drug Delivery Systems/methods , Anti-Bacterial Agents/administration & dosage , Anti-Bacterial Agents/pharmacology , Particle Size , Drug Liberation , Surface-Active Agents/chemistry , Polysorbates/chemistry , Tea Tree Oil/administration & dosage , Tea Tree Oil/chemistry , Tea Tree Oil/pharmacology , Chemistry, Pharmaceutical/methods , Humans
9.
Molecules ; 29(17)2024 Aug 27.
Article in English | MEDLINE | ID: mdl-39274909

ABSTRACT

The influence of adding surfactants on the performance of high-solid anaerobic digestion of horticultural waste was extensively investigated in batch systems. Adding Tween series and polyethylene glycol series non-ionic surfactants had positive effects on biogas production, resulting in 370.1 mL/g VS and 256.6 mL/g VS with Tween 60 and polyethylene glycol 300 at a surfactant-to-grass mass ratio of 0.20, while the biogas production of anaerobic digestion without surfactants was 107.54 mL/g VS. The optimal and economically feasible choice was adding Tween 20 at a ratio of 0.08 g/g grass in high-solid anaerobic digestion. A kinetics model reliably represented the relationship between surfactant concentration and biogas production. The mechanism of surfactants working on lignocellulose was investigated. The improvement in high-solid anaerobic digestion by adding surfactants was attributed to the interaction between lignocelluloses and surfactants and the extraction of biodegradable fractions from the porous structure. An economic analysis showed that adding Tween 20 was likely to make a profit and be more feasible than adding Tween 60 and polyethylene glycol 300. This study confirms the enhancement in biogas production from horticultural waste by adding non-ionic surfactants.


Subject(s)
Biofuels , Lignin , Surface-Active Agents , Surface-Active Agents/chemistry , Anaerobiosis , Lignin/chemistry , Polysorbates/chemistry , Polyethylene Glycols/chemistry , Biodegradation, Environmental , Bioreactors , Kinetics
10.
Environ Sci Pollut Res Int ; 31(43): 55099-55118, 2024 Sep.
Article in English | MEDLINE | ID: mdl-39243327

ABSTRACT

The quest for scientifically advanced and sustainable solutions is driven by growing environmental and economic issues associated with coal mining, processing, and utilization. Consequently, within the coal industry, there is a growing recognition of the potential of microbial applications in fostering innovative technologies. Microbial-based coal solubilization, coal beneficiation, and coal dust suppression are green alternatives to traditional thermochemical and leaching technologies and better meet the need for ecologically sound and economically viable choices. Surfactant-mediated approaches have emerged as powerful tools for modeling, simulation, and optimization of coal-microbial systems and continue to gain prominence in clean coal fuel production, particularly in microbiological co-processing, conversion, and beneficiation. Surfactants (surface-active agents) are amphiphilic compounds that can reduce surface tension and enhance the solubility of hydrophobic molecules. A wide range of surfactant properties can be achieved by either directly influencing microbial growth factors, stimulants, and substrates or indirectly serving as frothers, collectors, and modifiers in the processing and utilization of coal. This review highlights the significant biotechnological potential of surfactants by providing a thorough overview of their involvement in coal biodegradation, bioprocessing, and biobeneficiation, acknowledging their importance as crucial steps in coal consumption.


Subject(s)
Biodegradation, Environmental , Coal , Surface-Active Agents , Surface-Active Agents/chemistry , Biotechnology
11.
BMC Complement Med Ther ; 24(1): 337, 2024 Sep 20.
Article in English | MEDLINE | ID: mdl-39304876

ABSTRACT

BACKGROUND: Drug combination therapy is preferred over monotherapy in clinical research to improve therapeutic effects. Developing a new nanodelivery system for cancer drugs can reduce side effects and provide several advantages, including matched pharmacokinetics and potential synergistic activity. This study aimed to examine and determine the efficiency of the gemini surfactants (GSs) as a pH-sensitive polymeric carrier and cell-penetrating agent in cancer cells to achieve dual drug delivery and synergistic effects of curcumin (Cur) combined with tamoxifen citrate (TMX) in the treatment of MCF-7 and MDA-MB-231 human BC cell lines. METHODS: The synthesized NPs were self-assembled using a modified nanoprecipitation method. The functional groups and crystalline form of the nanoformulation were examined by Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), differential scanning calorimetry (DSC), and dynamic light scattering (DLS) used to assess zeta potential and particle size, and the morphological analysis determined by transmission electron microscopy (TEM). The anticancer effect was evaluated through an in vitro cytotoxicity MTT assay, flow cytometry analysis, and apoptosis analysis performed for mechanism investigation. RESULTS: The tailored NPs were developed with a size of 252.3 ± 24.6 nm and zeta potential of 18.2 ± 4.4 mV capable of crossing the membrane of cancer cells. The drug loading and release efficacy assessment showed that the loading of TMX and Cur were 93.84% ± 1.95% and 90.18% ± 0.56%, respectively. In addition, the drug release was more controlled and slower than the free state. Polymeric nanocarriers improved controlled drug release 72.19 ± 2.72% of Tmx and 55.50 ± 2.86% of Cur were released from the Tmx-Cur-Gs NPs after 72 h at pH = 5.5. This confirms the positive effect of polymeric nanocarriers on the controlled drug release mechanism. moreover, the toxicity test showed that combination-drug delivery was much more greater than single-drug delivery in MCF-7 and MDA-MB-231 cell lines. Cellular imaging showed excellent internalization of TMX-Cur-GS NPs in both MCF-7 and MDA-MB-231 cells and synergistic anticancer effects, with combination indices of 0.561 and 0.353, respectively. CONCLUSION: The combined drug delivery system had a greater toxic effect on cell lines than single-drug delivery. The synergistic effect of TMX and Cur with decreasing inhibitory concentrations could be a more promising system for BC-targeted therapy using GS NPs.


Subject(s)
Breast Neoplasms , Curcumin , Nanoparticles , Surface-Active Agents , Tamoxifen , Humans , Curcumin/pharmacology , Curcumin/chemistry , Tamoxifen/pharmacology , Tamoxifen/chemistry , Nanoparticles/chemistry , Breast Neoplasms/drug therapy , Surface-Active Agents/chemistry , Surface-Active Agents/pharmacology , Hydrogen-Ion Concentration , Female , Drug Synergism , MCF-7 Cells , Cell Line, Tumor , Antineoplastic Agents/pharmacology , Antineoplastic Agents/chemistry , Drug Carriers/chemistry
12.
Molecules ; 29(18)2024 Sep 18.
Article in English | MEDLINE | ID: mdl-39339416

ABSTRACT

Triacontanol is a long-chain primary alcohol derived from policosanol, known for its diverse biological activities, including functioning as a plant growth regulator and exhibiting anti-inflammatory and antitumoral effects. However, its application is limited due to its high hydrophobicity, resulting in poor absorption and reduced therapeutic effectiveness. A potential solution to this problem is the use of niosomes. Niosomes are carriers composed of non-ionic surfactants, cholesterol, charge-inducing agents, and a hydration medium. They are effective in encapsulating drugs, improving their solubility and bioavailability. The objective of this study was to optimize and synthesize nano-niosomes for the encapsulation of triacontanol. Niosomes were synthesized using a thin-film hydration method combined with ultrasonication, following a Box-Behnken design. Niosomes were characterized using various techniques including dynamic light scattering, Fourier-transform infrared spectroscopy (FTIR), confocal microscopy, high-resolution scanning electron microscopy, and transmission electron microscopy (TEM). Formulation 14 of niosomes achieved the desired size, polydispersity index (0.198 ± 0.008), and zeta potential (-31.28 ± 1.21). FTIR analysis revealed a characteristic signal in the 3400-300 cm-1 range, indicating intermolecular interactions due to a bifurcated hydrogen bond between cholesterol and S60. Confocal microscopy confirmed the presence of triacontanol through Nile Red fluorescence. TEM revealed the spherical structure of niosomes.


Subject(s)
Fatty Alcohols , Liposomes , Liposomes/chemistry , Fatty Alcohols/chemistry , Particle Size , Spectroscopy, Fourier Transform Infrared , Nanoparticles/chemistry , Drug Carriers/chemistry , Solubility , Drug Compounding/methods , Cholesterol/chemistry , Surface-Active Agents/chemistry
13.
Eur J Pharm Sci ; 202: 106889, 2024 Nov 01.
Article in English | MEDLINE | ID: mdl-39187094

ABSTRACT

A number of baby wipe formulations contain 2-phenoxyethanol (PE) as a preservative and cetylpyridinium chloride (CPC) as a surfactant with antimicrobial activity. Previously, we reported the skin absorption of PE in porcine skin and human skin in vitro. In the present work, the permeation of PE from preparations with CPC and without CPC was investigated in human skin in vivo. The studies were conducted using Confocal Raman Spectroscopy (CRS) and tape stripping (TS) methods. The CRS studies showed that the area under the curve (AUC) of PE for the formulation with and without CPC were not significantly different (p > 0.05). The TS data indicated no significant difference in the amounts of PE recovered from tapes 1-6 for the preparation with and without CPC (p > 0.05). When comparing the in vitro and in vivo data, a correlation was observed between the cumulative amount of PE permeated through human skin in vitro at 24 h and the AUC as measured by CRS (r2 = 0.97). In addition, the cumulative amount of PE permeated through human skin in vitro at 24 h was found to correlate with the amount of PE recovered from tape 1 to 6 in vivo (r2 = 0.95). Both CRS and TS techniques demonstrated limitations in assessing the distribution of PE and CPC in the skin in vivo, primarily attributed to the Raman signal intensities of compounds under investigation and the variability in the amount of SC collected by TS. Despite the limitations of CRS and TS, the results from the present study add further insights to the in vitro permeation data. Additionally, the findings of the present study encourage the further development and application of CRS for non-invasive evaluation of topical skin formulations in vivo.


Subject(s)
Ethylene Glycols , Skin Absorption , Skin , Humans , Ethylene Glycols/pharmacokinetics , Skin Absorption/drug effects , Skin/metabolism , Adult , Cetylpyridinium , Female , Spectrum Analysis, Raman , Surface-Active Agents/chemistry , Preservatives, Pharmaceutical/chemistry , Preservatives, Pharmaceutical/pharmacokinetics , Permeability
14.
Sci Total Environ ; 951: 175742, 2024 Nov 15.
Article in English | MEDLINE | ID: mdl-39182763

ABSTRACT

Wastewater-based epidemiology (WBE) is a valuable complement to clinical monitoring, allowing for effective surveillance of viral infections in populations, and tracking the presence and the epidemiological dynamics of various infectious pathogens in communities. However, virus loads are usually low-abundant in wastewater, and current virus concentration methods for WBE are laborious and time-consuming with low recovery efficiency. To address these challenges, we have developed a magnetic bead-based semi-automated method involving extraction and purification to directly concentrate viral nucleic acids from sewage within 55 min. Prior to concentration, 0.5 % LDS was introduced to pretreat wastewater to inactivate viruses and release viral nucleic acids from both liquid and solid fractions to improve recovery. Under optimal conditions, the concentration method combined with reverse transcription-quantitative polymerase chain reaction (RT-qPCR) can detect severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA added exogenously in wastewater as low as 4.9 copies/mL within 2.5 h, with an average recovery rate exceeding 80 %. Testing real sewages proved the applicability of the method to detect multiple viruses in different sewages. Additionally, variants of SARS-CoV-2 were successfully identified by multiplex amplicon sequencing in two samples. In conclusion, the new method could provide a much more efficient way for WBE of pathogenic viruses in various sewages.


Subject(s)
RNA, Viral , Wastewater , Wastewater/virology , RNA, Viral/analysis , SARS-CoV-2 , Surface-Active Agents , Sewage/virology
15.
Eur J Med Chem ; 277: 116784, 2024 Nov 05.
Article in English | MEDLINE | ID: mdl-39178727

ABSTRACT

Antimicrobial resistance has emerged as a significant threat to global public health. To develop novel, high efficiency antibacterial alternatives to combat multidrug-resistant bacteria, A total of thirty-two novel amphiphilic benzopyran derivatives by mimicking the structure and function of antimicrobial peptides were designed and synthesized. Among them, the most promising compounds 4h and 17e displayed excellent antibacterial activity against Gram-positive bacteria (MICs = 1-4 µg/mL) with weak hemolytic activity and good membrane selectivity. Additionally, compounds 4h and 17e had rapid bactericidal properties, low resistance frequency, good plasma stability, and strong capabilities of inhibiting and eliminating bacterial biofilms. Mechanistic studies revealed that compounds 4h and 17e could effectively disrupt the integrity of bacterial cell membranes, and accompanied by an increase in intracellular reactive oxygen species and the leakage of proteins and DNA, ultimately leading to bacterial death. Notably, compound 4h exhibited comparable in vivo antibacterial potency in a mouse septicemia model infected by Staphylococcus aureus ATCC43300, as compared to vancomycin. These findings indicated that 4h might be a promising antibacterial candidate to combat antimicrobial resistance.


Subject(s)
Anti-Bacterial Agents , Benzopyrans , Biofilms , Drug Design , Drug Resistance, Multiple, Bacterial , Microbial Sensitivity Tests , Anti-Bacterial Agents/pharmacology , Anti-Bacterial Agents/chemical synthesis , Anti-Bacterial Agents/chemistry , Benzopyrans/pharmacology , Benzopyrans/chemical synthesis , Benzopyrans/chemistry , Animals , Drug Resistance, Multiple, Bacterial/drug effects , Mice , Structure-Activity Relationship , Biofilms/drug effects , Molecular Structure , Dose-Response Relationship, Drug , Staphylococcus aureus/drug effects , Gram-Positive Bacteria/drug effects , Humans , Surface-Active Agents/chemical synthesis , Surface-Active Agents/pharmacology , Surface-Active Agents/chemistry
16.
Solid State Nucl Magn Reson ; 133: 101959, 2024 Oct.
Article in English | MEDLINE | ID: mdl-39213800

ABSTRACT

In this work, we elucidated the structural organization of stimuli-responsive peptide-polydiacetylene (PDA) conjugates that can self-assemble as 1D nanostructures under neutral aqueous conditions. The amino acid sequences bear positively or negatively charged domains at the periphery of the peptide segments to promote solubility in water while also driving assembly of the individual and combined components into ß-sheets. The photopolymerization of PDA, as well as the sensitivity of the resulting optical properties of the polymeric material to external stimuli, highly depends on the structural organization of the assembly of amphiphilic peptide-diacetylene units into 1D-nanostructures. Solid-state NMR measurements on 13C-labeled and 15N-labeled samples show that positively charged and negatively charged peptide amphiphiles are each capable of self-assembly, but self-assembly favors antiparallel ß-sheet structure. When positively and negatively charged peptide amphiphiles interact in stoichiometric solutions, cooperative coassembly dominates over self-assembly, resulting in the desired parallel ß-sheet structure with a concomitant increase in structural order. These results reveal that rational placement of oppositely charged residues can control ß-strand organization in a peptide amphiphile coassembly, which would have implications on the adaptive properties of stimuli-responsive biomaterials such as the peptide-PDAs studied here.


Subject(s)
Peptides , Polyacetylene Polymer , Peptides/chemistry , Polyacetylene Polymer/chemistry , Protein Conformation, beta-Strand , Surface-Active Agents/chemistry , Magnetic Resonance Spectroscopy , Polyynes/chemistry , Polymers/chemistry , Nanostructures/chemistry
17.
Int J Biol Macromol ; 278(Pt 2): 134768, 2024 Oct.
Article in English | MEDLINE | ID: mdl-39151865

ABSTRACT

In this study, starch (S) was gelatinized and carbonized to prepare carbonized/gelatinized S (CGS) as the research material. Then, peat extract (Pe) and surfactants with different ratios were single- and multi-modified on CGS, respectively, to prepare Pe-modified CGS (Pe-CGS) and multi-modified CGS, respectively. The microscopic morphology of multi-modified CGS was studied using various testing methods. The de-risking effect on Cd(II) and hymexazol in wastewater was investigated, and the effects of temperature, pH, and ionic strength were compared. The spheroidal structure of S was destroyed after carbonization, and Pe and surfactants were modified on the surface and changed the surface properties of CGS. The adsorption processes of Cd(II) and hymexazol were suitable to be described by the Langmuir and Freundlich models, respectively. The maximum adsorption capacities (qm) of Cd(II) and adsorption capacity parameter (k) of hymexazol on different modified CGSs presented the peak value at BS/Pe-CGS. With the increase in the modification ratio of Pe, BS, and SDS, qm and k increased, which showed a high value at 100 % modification. Increases in temperature and pH were beneficial to Cd(II) adsorption but were not conducive to hymexazol adsorption. The adsorption amount decreased for Cd(II) and increased first and then reduced for hymexazol with the rise in ionic strength. The adsorption process exhibited spontaneity, endothermic behavior for Cd(II), exothermic behavior for hymexazol, and an entropy-increasing reaction. The adsorption amount of Cd(II) and hymexazol by multi-modified CGS maintained approximately 81 % of the original sample after three rounds of regeneration.


Subject(s)
Cadmium , Starch , Temperature , Wastewater , Water Pollutants, Chemical , Wastewater/chemistry , Cadmium/chemistry , Starch/chemistry , Adsorption , Water Pollutants, Chemical/chemistry , Hydrogen-Ion Concentration , Gelatin/chemistry , Osmolar Concentration , Water Purification/methods , Surface-Active Agents/chemistry , Kinetics
18.
Food Chem ; 461: 140883, 2024 Dec 15.
Article in English | MEDLINE | ID: mdl-39154460

ABSTRACT

This study proposed the evolution of self-assembled amphiphilic colloidal particles in Strong-Flavor (SF) Baijiu based on Ostwald ripening for the first time. The evolution process occurs in two stages: disordered amphiphilic molecules self-assemble into small colloidal particles and subsequently undergo Oswald ripening to form larger hydrophobic particles. Microscopic observations revealed the average size of oil-like spherical colloidal particles in Baijiu increased from 1.86 µm to 2.96 µm while the number of particles decreased by 39.50% during the 16-year cellaring process of SF Baijiu, consistent with the particle size trend observed via laser scattering. During fusion process, the charge-to-mass ratio of positively charged colloidal particles decreased, leading ζ-potential decreased from 23.7 mV to 4.66 mV within 16 years of storage. The electrochemical impedance spectroscopy approach tracked the unidirectional variation in the dielectric constant during evolution of SF Baijiu, reflecting the gradual expansion of colloidal particles, which aligns with the evolution trend observed in molecular dynamics simulations. By integrating direct microscopic observations of amphiphilic colloidal particles with electrochemical techniques, the evolution of Baijiu samples is capable to be evaluated in-situ, laying the foundation for intelligent Baijiu aging monitoring technology.


Subject(s)
Colloids , Particle Size , Colloids/chemistry , Hydrophobic and Hydrophilic Interactions , Surface-Active Agents/chemistry , Molecular Dynamics Simulation
19.
Langmuir ; 40(37): 19404-19411, 2024 Sep 17.
Article in English | MEDLINE | ID: mdl-39213639

ABSTRACT

Lysine-leucine (LK) peptides have been used as model systems and platforms for 2D material design for decades. LK peptides are amphiphilic sequences designed to bind and fold at hydrophobic surfaces through hydrophobic leucine side chains and hydrophilic lysine side chains extending into the aqueous subphase. The hydrophobic periodicity of the sequence dictates the secondary structure at the interface. This robust design makes them ideal candidates for controlling interfacial chemistry. This study presents the de novo design and characterization of two novel peptides: LRα14 and LHα14, which substitute lysine with arginine and histidine, respectively, in the helical LKα14 sequence. This modification is intended to expand the LK peptide platform to a new basic interfacial chemistry. We explore the stability of the new LRα14 and LHα14 designs with respect to changes in pH and salt concentration in bulk solution and at the interface using circular dichroism (UV-CD) and vibrational sum-frequency generation spectroscopy, respectively. Notably, the structural stability of the peptides remains unaffected across a wide range of pH and ionic strength values. At the same time, the variation of side-chain chemistry leads to a wide spectrum of interfacial water structures. By extension of the LK platform to include arginine and histidine, this study broadens the toolbox for designing tailored interfacial chemistries with applications in material and biomedical sciences.


Subject(s)
Peptides , Peptides/chemistry , Hydrogen-Ion Concentration , Hydrophobic and Hydrophilic Interactions , Lysine/chemistry , Leucine/chemistry , Surface-Active Agents/chemistry , Circular Dichroism , Amino Acid Sequence
20.
ACS Sens ; 9(9): 4879-4886, 2024 Sep 27.
Article in English | MEDLINE | ID: mdl-39215719

ABSTRACT

Hydrogen (H2) is colorless, odorless, and has a wide explosive concentration range (4-75 vol %), making rapid and accurate detection of hydrogen leaks essential. This paper demonstrates a method to modify the spatial distribution of nanocrystals (NCs) by adding surfactants to improve the sensing performance. In order to explore its potential for H2 gas-sensing applications, SnO2, containing different mass percentages of PdCu NCs, was dispersed. The results show that the 0.1 wt % PdCu-SnO2 sensor based on surfactant dispersion performs well, with a response to 0.1 vol % H2 that is 18 times higher than that of the undispersed 0.1 wt % PdCu-SnO2 sensor. The enhanced gas-sensing ability after dispersion can be attributed to the fact that the uniform distribution of NCs generates higher quantum efficiency and exposes more active sites on the carrier surface compared to nonuniform distribution. This study provides a simple, novel, and effective method to improve the sensor response.


Subject(s)
Hydrogen , Nanoparticles , Tin Compounds , Tin Compounds/chemistry , Hydrogen/chemistry , Hydrogen/analysis , Nanoparticles/chemistry , Copper/chemistry , Palladium/chemistry , Surface-Active Agents/chemistry
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