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1.
J Phys Chem B ; 128(28): 6940-6950, 2024 Jul 18.
Artigo em Inglês | MEDLINE | ID: mdl-38956449

RESUMO

Two ionic liquids (ILs) with amphiphilic properties composed of 1-butyl-3-methylimidazolium dioctylsulfosuccinate (bmim-AOT) and 1-hexyl-3-methylimidazolium dioctylsulfosuccinate (hmim-AOT) form unilamellar vesicles spontaneously simply by dissolving the IL-like surfactant in water. These novel vesicles were characterized using two different and highly sensitive fluorescent probes: 6-propionyl-2-(dimethylaminonaphthalene) (PRODAN) and trans-4-[4-(dimethylamino)-styryl]-1-methylpyridinium iodide (HC). These fluorescent probes provide information about the physicochemical properties of the bilayer, such as micropolarity, microviscosity, and electron-donor capacity. In addition, the biocompatibility of these vesicles with the blood medium was evaluated, and their toxicity was determined using Dictyostelium discoideum amoebas. First, using PRODAN and HC, it was found that the bilayer composition and the chemical structure of the ions at the interface produced differences between both amphiphiles, making the vesicles different. Thus, the bilayer of hmim-AOT vesicles is less polar, more rigid, and has a lower electron-donor capacity than those made by bmim-AOT. Finally, the results obtained from the hemolysis studies and the growth behavior of unicellular amoebas, particularly utilizing the D. discoideum assay, showed that both vesicular systems do not produce toxic effects up to a concentration of 0.02 mg/mL. This elegant assay, devoid of animal usage, highlights the potential of these newly organized systems for the delivery of drugs and bioactive molecules of different polarities.


Assuntos
Líquidos Iônicos , Tensoativos , Lipossomas Unilamelares , Líquidos Iônicos/química , Tensoativos/química , Lipossomas Unilamelares/química , Lipossomas Unilamelares/metabolismo , Nanomedicina , Corantes Fluorescentes/química , Compostos de Piridínio/química , Imidazóis/química , Bicamadas Lipídicas/química
2.
Arch Microbiol ; 206(8): 354, 2024 Jul 17.
Artigo em Inglês | MEDLINE | ID: mdl-39017726

RESUMO

Titanium implants are subject to bacterial adhesion and peri-implantitis induction, and biosurfactants bring a new alternative to the fight against infections. This work aimed to produce and characterize the biosurfactant from Bacillus subtilis ATCC 19,659, its anti-adhesion and antimicrobial activity, and cell viability. Anti-adhesion studies were carried out against Streptococcus sanguinis, Staphylococcus aureus, Fusobacterium nucleatum, Aggregatibacter actinomycetemcomitans, Porphyromonas gingivalis, and Proteus mirabilis as the minimum inhibitory concentration and the minimum bactericidal concentration. Cell viability was measured against osteoblast and fibroblast cells. The biosurfactant was classified as lipopeptide, with critical micelle concentration at 40 µg mL- 1, and made the titanium surface less hydrophobic. The anti-adhesion effect was observed for Staphylococcus aureus and Streptococcus sanguinis with 54% growth inhibition and presented a minimum inhibitory concentration of 15.7 µg mL- 1 for Streptococcus sanguinis and Aggregatibacter actinomycetemcomitans. The lipopeptide had no cytotoxic effect and demonstrated high potential application against bacterial biofilms.


Assuntos
Aderência Bacteriana , Biofilmes , Implantes Dentários , Lipopeptídeos , Testes de Sensibilidade Microbiana , Titânio , Titânio/farmacologia , Titânio/química , Biofilmes/efeitos dos fármacos , Biofilmes/crescimento & desenvolvimento , Aderência Bacteriana/efeitos dos fármacos , Implantes Dentários/microbiologia , Lipopeptídeos/farmacologia , Humanos , Antibacterianos/farmacologia , Staphylococcus aureus/efeitos dos fármacos , Staphylococcus aureus/fisiologia , Bacillus subtilis/efeitos dos fármacos , Porphyromonas gingivalis/efeitos dos fármacos , Porphyromonas gingivalis/fisiologia , Porphyromonas gingivalis/crescimento & desenvolvimento , Aggregatibacter actinomycetemcomitans/efeitos dos fármacos , Propriedades de Superfície , Fibroblastos/efeitos dos fármacos , Fusobacterium nucleatum/efeitos dos fármacos , Sobrevivência Celular/efeitos dos fármacos , Osteoblastos/efeitos dos fármacos , Tensoativos/farmacologia
3.
Wound Manag Prev ; 70(2)2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38959343

RESUMO

BACKGROUND: CSG dressing is water-soluble and helps to hydrate the wound, control exudate, and provide gentle debridement by virtue of a high concentration of surfactant micelles. The primary objective of this retrospective case series is to report on the feasibility of CSG use in pediatric wounds and its mechanism of action. The secondary aim was to measure pain during application and removal of CSG. METHODS: Eight pediatric patients ranging in age from newborn to a few months old with wounds requiring medical intervention were treated with CSG. The CSG dressing was applied twice daily at initiation of treatment in some patients, but mostly once daily. NIPS was utilized for pain measurements. RESULTS: Near-complete healing of wounds was observed by the end of treatment duration, which was only a few days. The calm temperament of these patients during dressing changes and objective NIPS suggested minimal to no pain. None of the patients experienced any adverse events related to the use of this dressing. CONCLUSION: The CSG dressing could be the dressing of choice in this population to enhance debridement and maintain moist healing and support granulation, either proactively or if other treatments fail.


Assuntos
Bandagens , Tensoativos , Cicatrização , Humanos , Cicatrização/efeitos dos fármacos , Lactente , Estudos Retrospectivos , Masculino , Feminino , Bandagens/normas , Bandagens/estatística & dados numéricos , Tensoativos/uso terapêutico , Tensoativos/farmacologia , Recém-Nascido , Géis/uso terapêutico , Ferimentos e Lesões/terapia , Ferimentos e Lesões/tratamento farmacológico
4.
AAPS J ; 26(4): 78, 2024 Jul 09.
Artigo em Inglês | MEDLINE | ID: mdl-38981948

RESUMO

A soft-core oil-in-water (o/w) nanoemulsion (NE) is composed of nanometer (nm) sized oil droplets, stabilized by a surfactant layer and dispersed in a continuous bulky water phase. Characterization of the o/w NE molecule arrangements non-invasively, particularly the drug phase distribution (DPD) and its correlation to oil globule size (OGS), remains a challenge. Here we demonstrated the analytical methods of intact 19F Nuclear Magnetic Resonance (NMR) and 1H diffusion ordered spectroscopy (DOSY) NMR for their specificity in measuring DPD and OGS, respectively, on three NE formulations containing the active ingredient difluprednate (DFPN) at the same concentration. The results illustrated synchronized molecular rearrangement reflected in the DPD and OGS upon alterations in formulation. Addition of surfactant resulted in a higher DPD in the surfactant layer, and concomitantly smaller OGS. Mechanic perturbation converted most of the NE globules to the smaller thermodynamically stable microemulsion (ME) globules, changing both DPD and OGS to ME phase. These microstructure changes were not observed using 1D 1H NMR; and dynamic light scattering (DLS) was only sensitive to OGS of ME globule in mechanically perturbed formulation. Collectively, the study illustrated the specificity and essential role of intact NMR methods in measuring the critical microstructure attributes of soft-core NE systems quickly, accurately, and non-invasively. Therefore, the selected NMR approach can be a unique diagnostic tool of molecular microstructure or Q3 property in o/w NE formulation development, and quality assurance after manufacture process or excipient component changes.


Assuntos
Emulsões , Espectroscopia de Ressonância Magnética , Óleos , Água , Espectroscopia de Ressonância Magnética/métodos , Água/química , Óleos/química , Tensoativos/química , Fluprednisolona/química , Fluprednisolona/análogos & derivados , Tamanho da Partícula , Composição de Medicamentos/métodos , Nanopartículas/química , Química Farmacêutica/métodos
5.
AAPS PharmSciTech ; 25(6): 163, 2024 Jul 13.
Artigo em Inglês | MEDLINE | ID: mdl-38997614

RESUMO

Some glycoside drugs can be transported through intestinal glucose transporters (IGTs). The surfactants used in oral drug preparations can affect the function of transporter proteins. This study aimed to investigate the effect of commonly used surfactants, Poloxamer 188 and Tween 80, on the drug transport capacity of IGTs. Previous studies have shown that gastrodin is the optimal drug substrate for IGTs. Gastrodin was used as a probe drug to evaluate the effect of these two surfactants on intestinal absorption in SD rats through pharmacokinetic and in situ single-pass intestinal perfusion. Then, the effects of the two surfactants on the expression of glucose transporters and tight-junction proteins were examined using RT-PCR and western blotting. Additionally, the effect of surfactants on intestinal permeability was evaluated through hematoxylin-eosin staining. The results found that all experimental for Poloxamer 188 (0.5%, 2.0% and 8.0%) and Tween 80 (0.1% and 2.0%) were not significantly different from those of the blank group. However, the AUC(0-∞) of gastrodin increased by approximately 32% when 0.5% Tween 80 was used. The changes in IGT expression correlated with the intestinal absorption of gastrodin. A significant increase in the expression of IGTs was observed at 0.5% Tween 80. In conclusion, Poloxamer 188 had minimal effect on the drug transport capacity of IGTs within the recommended limits of use. However, the expression of IGTs increased in response to 0.5% Tween 80, which significantly enhanced the drug transport capacity of IGTs. However, 0.1% and 2.0% Tween 80 had no significant effect.


Assuntos
Absorção Intestinal , Mucosa Intestinal , Poloxâmero , Polissorbatos , Ratos Sprague-Dawley , Tensoativos , Animais , Poloxâmero/farmacologia , Polissorbatos/farmacologia , Ratos , Absorção Intestinal/efeitos dos fármacos , Masculino , Tensoativos/farmacologia , Transporte Biológico/efeitos dos fármacos , Mucosa Intestinal/metabolismo , Mucosa Intestinal/efeitos dos fármacos , Proteínas Facilitadoras de Transporte de Glucose/metabolismo , Glucosídeos/farmacologia
6.
AAPS PharmSciTech ; 25(6): 162, 2024 Jul 12.
Artigo em Inglês | MEDLINE | ID: mdl-38997615

RESUMO

In 1987, Won invented the solid-phase porous microsphere (MS), which stores bioactive compounds in many interconnected voids. Spherical particles (5-300 µm), MS, may form clusters of smaller spheres, resulting in many benefits. The current investigation focussed on gel-encased formulation, which can be suitable for dermal usage. First, quasi-emulsion (w/o/w) solvent evaporation was used to prepare 5-fluorouracil (5 FU) MS particles. The final product was characterized (SEM shows porous structure, FTIR and DSC showed drug compatibility with excipients, and gel formulation is shear-thinning) and further scaled up using the 8-fold method. Furthermore, CCD (Central Composite Design) was implemented to obtain the optimized results. After optimizing the conditions, including the polymer (600 mg, ethyl cellulose (EC), eudragit RS 100 (ERS)), stirring speed (1197 rpm), and surfactant concentration (2% w/v), we achieved the following results: optimal yield (63%), mean particle size (152 µm), drug entrapment efficiency (76%), and cumulative drug release (74.24% within 8 h). These findings are promising for industrial applications and align with the objectives outlined in UN Sustainable Development Goals 3, 9, and 17, as well as the goals of the G20 initiative.


Assuntos
Sistemas de Liberação de Medicamentos , Liberação Controlada de Fármacos , Fluoruracila , Microesferas , Tamanho da Partícula , Fluoruracila/administração & dosagem , Fluoruracila/química , Sistemas de Liberação de Medicamentos/métodos , Porosidade , Emulsões/química , Celulose/química , Celulose/análogos & derivados , Química Farmacêutica/métodos , Polímeros/química , Excipientes/química , Solventes/química , Tensoativos/química , Resinas Acrílicas/química , Portadores de Fármacos/química , Géis/química
7.
Mar Genomics ; 76: 101113, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-39009494

RESUMO

Biosurfactants are amphipathic molecules with high industrial values owing to their chemical properties and stability under several environmental conditions. They have become attractive microbial products in the emerging biotechnology industry, offering a potential environmentally-friendly alternative to synthetic surfactants. Nowadays, several types of biosurfactants are commercially available for a wide range of applications in healthcare, agriculture, oil extraction and environmental remediation. In this study, a marine bacterium Bacillus velezensis L2D39 with the capability of producing biosurfactants was successfully isolated and characterized. The complete genome sequence of the bacterium B. velezensis L2D39 was obtained using PacBio Sequel HGAP.4, resulting in a sequence consisting of 4,140,042 base pairs with a 46.2 mol% G + C content and containing 4071 protein-coding genes. The presence of gene clusters associated with biosurfactants was confirmed through antiSMASH detection. The analysis of complete genome sequence will provide insight into the potential applications of this bacterium in biotechnological and natural product biosynthesis.


Assuntos
Bacillus , Genoma Bacteriano , Tensoativos , Sequenciamento Completo do Genoma , Bacillus/genética , Bacillus/metabolismo , Tensoativos/metabolismo
8.
Soft Matter ; 20(28): 5553-5563, 2024 Jul 17.
Artigo em Inglês | MEDLINE | ID: mdl-38957095

RESUMO

The addition of a surfactant and/or an increase in temperature disrupt the native structure of proteins, where high temperature further results in protein gelation. However, in a mixed protein-surfactant system, surfactant concentration and temperature have been observed to exhibit both mutually associative and counter-balancing effects towards heat-induced gelation of protein-surfactant dispersion. This study is conducted on globular bovine serum albumin (BSA) protein and cationic surfactant dodecyl trimethyl ammonium bromide (DTAB), which interact strongly owing to their oppositely charged nature. The findings reveal that the BSA-DTAB suspension undergoes gelation with increasing temperature but only at lower concentrations of DTAB, where the presence of the surfactant facilitates gelation (associative effect). Conversely, as the surfactant concentration increases beyond a critical value, temperature-driven gelation of the BSA-DTAB system is completely inhibited, despite surfactant-induced protein denaturation (counter-balancing effect). To conceptualize these results, we compared them with observations made in a system comprising protein and a similarly charged surfactant, sodium dodecyl sulfate (SDS). It has been further demonstrated that the anionic surfactant (SDS) can restrict protein gelation at much lower concentration compared to the cationic surfactant (DTAB). The evolution of the structure and interaction during gel formation/inhibition has been examined to understand the underlying mechanism guiding these sol-gel transitions. We present a comprehensive phase diagram, encompassing the solution/gel states of the protein-surfactant dispersion, with respect to the dispersion temperature, surfactant concentration, and ionic behavior (anionic or cationic) of the surfactants.


Assuntos
Géis , Temperatura Alta , Compostos de Amônio Quaternário , Soroalbumina Bovina , Tensoativos , Tensoativos/química , Soroalbumina Bovina/química , Géis/química , Bovinos , Compostos de Amônio Quaternário/química , Animais , Dodecilsulfato de Sódio/química
9.
Drug Deliv ; 31(1): 2372279, 2024 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-38992340

RESUMO

The aim of this study was to develop eye-drops with cefuroxime (CEF) sodium or vancomycin (VAN) hydrochloride, antibiotics that are instable in water. Anhydrous self-emulsifying oils (SEO) are proposed as a carrier and antibiotics are suspended. In the contact with tear fluid, the formulation should transform into emulsion, with fast dissolution of an antibiotic. CEF or VAN (5% w/w) was suspended in SEO carriers prepared by dissolving surfactants (Tween 20 or Span 80 5% w/w) in Miglyol, castor oil, or olive oil. Formulations with or without sodium citrate (2% w/w) were compared. Six-months or 1-year stability tests were carried out at 40 °C. The content of CEF and VAN was evaluated using HPLC and the potency of the antibiotic was assessed with agar diffusion method. In contact with water, drug particles suspended in SEO dissolved rapidly and o/w emulsion was formed. After 1-year at 40 °C, the content of degradation products was at most 0.5% in CEF and 4.0% in VAN formulations. The agar diffusion assay has shown that CEF and VAN loaded into SEO retained its potency against the sensitive microorganisms comparable to an aqueous solution. Therefore, SEO can be used as a novel carrier for the active substances which may not require improved solubility or absorption but need to be protected from moisture. This is a formulation that can be produced on industrial scale, with no limitation of stability or drug concentration.


Assuntos
Antibacterianos , Estabilidade de Medicamentos , Emulsões , Soluções Oftálmicas , Antibacterianos/administração & dosagem , Antibacterianos/química , Antibacterianos/farmacocinética , Emulsões/química , Soluções Oftálmicas/química , Hidrólise , Óleo de Rícino/química , Cefuroxima/química , Cefuroxima/administração & dosagem , Cefuroxima/farmacocinética , Vancomicina/química , Vancomicina/administração & dosagem , Tensoativos/química , Química Farmacêutica/métodos , Suspensões , Água/química , Solubilidade , Polissorbatos/química , Azeite de Oliva/química , Hexoses/química , Portadores de Fármacos/química
10.
Sci Rep ; 14(1): 15106, 2024 07 02.
Artigo em Inglês | MEDLINE | ID: mdl-38956156

RESUMO

We applied computing-as-a-service to the unattended system-agnostic miscibility prediction of the pharmaceutical surfactants, Vitamin E TPGS and Tween 80, with Copovidone VA64 polymer at temperature relevant for the pharmaceutical hot melt extrusion process. The computations were performed in lieu of running exhaustive hot melt extrusion experiments to identify surfactant-polymer miscibility limits. The computing scheme involved a massively parallelized architecture for molecular dynamics and free energy perturbation from which binodal, spinodal, and mechanical mixture critical points were detected on molar Gibbs free energy profiles at 180 °C. We established tight agreement between the computed stability (miscibility) limits of 9.0 and 10.0 wt% vs. the experimental 7 and 9 wt% for the Vitamin E TPGS and Tween 80 systems, respectively, and identified different destabilizing mechanisms applicable to each system. This paradigm supports that computational stability prediction may serve as a physically meaningful, resource-efficient, and operationally sensible digital twin to experimental screening tests of pharmaceutical systems. This approach is also relevant to amorphous solid dispersion drug delivery systems, as it can identify critical stability points of active pharmaceutical ingredient/excipient mixtures.


Assuntos
Excipientes , Polissorbatos , Excipientes/química , Polissorbatos/química , Vitamina E/química , Tensoativos/química , Pirrolidinas/química , Simulação de Dinâmica Molecular , Termodinâmica , Tecnologia de Extrusão por Fusão a Quente/métodos , Compostos de Vinila
11.
J Chem Phys ; 161(1)2024 Jul 07.
Artigo em Inglês | MEDLINE | ID: mdl-38949588

RESUMO

Investigating the influence of the ambient chemical environment on molecular behaviors in liposomes is crucial for understanding and manipulating cellular vitality as well as the capabilities of lipid drug carriers in various environments. Here, we designed and synthesized a second harmonic generation (SHG) and fluorescence probe molecule called Pyr-Py+-N+ (PPN), which possesses membrane-targeting capability. We employed PPN to investigate the response of lipid vesicles composed of cardiolipin to the presence of exogenous salt. The kinetic behaviors, including the adsorption and embedding of PPN on the surface of small unilamellar vesicles (SUVs) composed of cardiolipin, were analyzed. The response of the SUVs to the addition of NaCl was also monitored. A rapid decrease in vesicle size can be evidenced through the rapid drop in SHG emission originating from PPN located on the vesicle surface.


Assuntos
Cardiolipinas , Corantes Fluorescentes , Lipossomas Unilamelares , Cardiolipinas/química , Corantes Fluorescentes/química , Lipossomas Unilamelares/química , Propriedades de Superfície , Lipossomos/química , Cloreto de Sódio/química , Tensoativos/química , Estrutura Molecular
12.
J Appl Microbiol ; 135(7)2024 Jul 02.
Artigo em Inglês | MEDLINE | ID: mdl-38964855

RESUMO

AIMS: Microbial enhanced oil recovery (MEOR) is cost-effective and eco-friendly for oil exploitation. Genetically modified biosurfactants-producing high-yield strains are promising for ex-situ MEOR. However, can they survive and produce biosurfactants in petroleum reservoirs for in-situ MEOR? What is their effect on the native bacterial community? METHODS AND RESULTS: A genetically modified indigenous biosurfactants-producing strain Pseudomonas aeruginosa PrhlAB was bioaugmented in simulated reservoir environments. Pseudomonas aeruginosa PrhlAB could stably colonize in simulated reservoirs. Biosurfactants (200 mg l-1) were produced in simulated reservoirs after bio-augmenting strain PrhlAB. The surface tension of fluid was reduced to 32.1 mN m-1. Crude oil was emulsified with an emulsification index of 60.1%. Bio-augmenting strain PrhlAB stimulated the MEOR-related microbial activities. Hydrocarbon-degrading bacteria and biosurfactants-producing bacteria were activated, while the hydrogen sulfide-producing bacteria were inhibited. Bio-augmenting P. aeruginosa PrhlAB reduced the diversity of bacterial community, and gradually simplified the species composition. Bacteria with oil displacement potential became dominant genera, such as Shewanella, Pseudomonas, and Arcobacter. CONCLUSIONS: Culture-based and sequence-based analyses reveal that genetically modified biosurfactants-producing strain P. aeruginosa PrhlAB are promising for in-situ MEOR as well.


Assuntos
Petróleo , Pseudomonas aeruginosa , Tensoativos , Pseudomonas aeruginosa/genética , Pseudomonas aeruginosa/metabolismo , Petróleo/metabolismo , Tensoativos/metabolismo , Biodegradação Ambiental , Bactérias/genética , Bactérias/metabolismo , Bactérias/classificação , Hidrocarbonetos/metabolismo , Microbiota
13.
J Oleo Sci ; 73(6): 839-846, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38825537

RESUMO

Controlling the morphology of molecular assemblies formed by surfactants by photoirradiation enables the controlled release of incorporated substances, which can be applied to delivery systems for drugs and active ingredients. On the other hand, conventional photoresponsive surfactants and molecular assemblies have a slow response speed, making it difficult to control their functions at the desired time. In this review, I discuss our recent progress in the accelerated control of functions of photoresponsive molecular assemblies by using lophine dimer as a photochromic compound. The lophine dimer derivative dissociates into a pair of lophyl radicals that upon ultraviolet (UV) light irradiation, and these radical species thermally recombine although the recombination reaction is extremely slow due to the diffusion of lophyl radicals. By using the confined inner space of micelles formed by surfactants, the recombination reaction was extremely accelerated. With UV light irradiation, rapid morphological changes in micelles, formed by amphiphilic lophine dimers were observed by using in situ small-angle neutron scattering (in situ SANS) system. Moreover, the rapid controlled release of calcein as a model drug was achieved by UV light irradiation using the photoresponsive micelles. This rapid system can realize the controlled release of drugs truly at the desired time, developing an efficient and precise drug delivery system (DDS). Furthermore, it can be applied in a wide range of fields such as release control of active ingredients, efficient heat exchange control, and actuating systems.


Assuntos
Preparações de Ação Retardada , Micelas , Tensoativos , Raios Ultravioleta , Tensoativos/química , Sistemas de Liberação de Medicamentos , Dimerização , Liberação Controlada de Fármacos , Fluoresceínas/química , Processos Fotoquímicos , Solubilidade , Radicais Livres/química
14.
Molecules ; 29(11)2024 May 28.
Artigo em Inglês | MEDLINE | ID: mdl-38893420

RESUMO

Surfactants, also known as surface-active agents, have emerged as an important class of compounds with a wide range of applications. However, the use of chemical-derived surfactants must be restricted due to their potential adverse impact on the ecosystem and the health of human and other living organisms. In the past few years, there has been a growing inclination towards natural-derived alternatives, particularly microbial surfactants, as substitutes for synthetic or chemical-based counterparts. Microbial biosurfactants are abundantly found in bacterial species, predominantly Bacillus spp. and Pseudomonas spp. The chemical structures of biosurfactants involve the complexation of lipids with carbohydrates (glycolipoproteins and glycolipids), peptides (lipopeptides), and phosphates (phospholipids). Lipopeptides, in particular, have been the subject of extensive research due to their versatile properties, including emulsifying, antimicrobial, anticancer, and anti-inflammatory properties. This review provides an update on research progress in the classification of surfactants. Furthermore, it explores various bacterial biosurfactants and their functionalities, along with their advantages over synthetic surfactants. Finally, the potential applications of these biosurfactants in many industries and insights into future research directions are discussed.


Assuntos
Tensoativos , Tensoativos/química , Tensoativos/farmacologia , Lipopeptídeos/química , Lipopeptídeos/farmacologia , Humanos , Bactérias/efeitos dos fármacos , Glicolipídeos/química
15.
Molecules ; 29(11)2024 Jun 06.
Artigo em Inglês | MEDLINE | ID: mdl-38893567

RESUMO

Curcumin (Cur) is a phytochemical with various beneficial properties, including antioxidant, anti-inflammatory, and anticancer activities. However, its hydrophobicity, poor bioavailability, and stability limit its application in many biological approaches. In this study, a novel amphiphilic chitosan wall material was synthesized. The process was carried out via grafting chitosan with succinic anhydride (SA) as a hydrophilic group and deoxycholic acid (DA) as a hydrophobic group; 1H-NMR, FTIR, and XRD were employed to characterize the amphiphilic chitosan (CS-SA-DA). Using a low-cost, inorganic solvent-based procedure, CS-SA-DA was self-assembled to load Cur nanomicelles. This amphiphilic polymer formed self-assembled micelles with a core-shell structure and a critical micelle concentration (CMC) of 0.093 mg·mL-1. Cur-loaded nanomicelles were prepared by self-assembly and characterized by the Nano Particle Size Potential Analyzer and transmission electron microscopy (TEM). The mean particle size of the spherical Cur-loaded micelles was 770 nm. The drug entrapment efficiency and loading capacities were up to 80.80 ± 0.99% and 19.02 ± 0.46%, respectively. The in vitro release profiles of curcumin from micelles showed a constant release of the active drug molecule. Cytotoxicity studies and toxicity tests for zebrafish exhibited the comparable efficacy and safety of this delivery system. Moreover, the results showed that the entrapment of curcumin in micelles improves its stability, antioxidant, and anti-inflammatory activity.


Assuntos
Antioxidantes , Quitosana , Curcumina , Micelas , Curcumina/farmacologia , Curcumina/química , Quitosana/química , Antioxidantes/farmacologia , Antioxidantes/química , Nanopartículas/química , Animais , Peixe-Zebra , Portadores de Fármacos/química , Interações Hidrofóbicas e Hidrofílicas , Tamanho da Partícula , Tensoativos/química
16.
J Nanobiotechnology ; 22(1): 349, 2024 Jun 20.
Artigo em Inglês | MEDLINE | ID: mdl-38902761

RESUMO

Repeated and widespread use of single chemical pesticides raises concerns about efficiency and safety, developing multi-component synergistic pesticides provides a new route for efficient control of diseases. Most commercial compound formulations are open systems with non-adjustable released rates, resulting in a high frequency of applications. Meanwhile, although nano pesticide delivery systems constructed with different carrier materials have been extensively studied, realizing their actual scale-up production still has important practical significance due to the large-scale field application. In this study, a boscalid and pyraclostrobin dual-loaded nano pesticide system (BPDN) was constructed with industrial-grade carrier materials to facilitate the realization of large-scale production. The optimal industrial-scale preparation mechanism of BPDN was studied with surfactants as key factors. When agricultural emulsifier No.600 and polycarboxylate are used as the ratio of 1:2 in the preparation process, the BPDN has a spherical structure with an average size of 270 nm and exhibits superior physical stability. Compared with commercial formulation, BPDN maintains rate-stabilized release up to 5 times longer, exhibits better dispersion and spreading performance on foliar, has more than 20% higher deposition amounts, and reduces loss. A single application of BPDN could efficiently control tomato gray mold during the growing period of tomatoes due to extended duration and combinatory effectiveness, reducing two application times and labor costs. Toxicology tests on various objects systematically demonstrated that BPDN has improved safety for HepG2 cells, and nontarget organism earthworms. This research provides insight into creating safe, efficient, and environmentally friendly pesticide production to reduce manual operation times and labor costs. Accompanied by production strategies that can be easily scaled up industrially, this contributes to the efficient use of resources for sustainable agriculture.


Assuntos
Praguicidas , Estrobilurinas , Praguicidas/química , Humanos , Portadores de Fármacos/química , Animais , Carbamatos/química , Tensoativos/química , Nanopartículas/química , Tamanho da Partícula , Solanum lycopersicum , Compostos de Bifenilo , Niacinamida/análogos & derivados
17.
Mol Pharm ; 21(7): 3540-3552, 2024 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-38900044

RESUMO

Molecular dynamics (MD) simulations of linear amylose fragments containing 10 to 40 glucose units were used to study the complexation of the prototypical compound, 3-pentadecylphenol (PDP)─a natural product with surfactant-like properties─in aqueous solution. The amylose-PDP binding leverages mainly hydrophobic interactions together with excluded volume effects. It was found that while the most stable complexes contained PDP inside the helical structure of the amylose in the expected guest-host (inclusion) complexation manner, at higher temperatures, the commonly observed PDP-amylose complexes often involved more nonspecific interactions than inclusion complexation. In the case where a stoichiometric excess of PDP was added to the simulation box, self-aggregation of the small molecule precluded its ability to enter the internal helical part of the oligosaccharide, and as a result, inclusion complexation became ineffective. MD simulation trajectories were analyzed preliminarily using cluster analysis (CA), followed by more rigorous solvent accessible surface area (SASA) determination over the temperature range spanning from 277 to 433 K. It was found that using the SASA of PDP corrected for its intrinsic conformational changes, together with a generic hidden Markov model (HMM), an adequate quantification of the different types of PDP-amylose aggregates was obtained to allow further analysis. The enthalpy change associated with the guest-host binding equilibrium constant (Kgh) in aqueous solution was estimated to be -75 kJ/mol, which is about twice as high as one might expect based on experimentally measured values of similar complexes in the solid state where the (unsolvated) helical structure of amylose remains rigid. On the other hand, the nonspecific binding (Kns) enthalpy change associated with PDP-amylose interactions in the same solution environment was found to be about half of the inclusion complexation value.


Assuntos
Amilose , Simulação de Dinâmica Molecular , Fenóis , Amilose/química , Fenóis/química , Água/química , Interações Hidrofóbicas e Hidrofílicas , Tensoativos/química , Temperatura , Termodinâmica
18.
J Oleo Sci ; 73(7): 921-941, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38945922

RESUMO

This comprehensive review offers a chemical analysis of cutting fluids, delving into both their formulation and deformulation processes. The study covers a wide spectrum of cutting fluid formulations, ranging from simple compositions predominantly comprising oils, whether mineral or vegetable, to emulsions. The latter involves the integration of surfactants, encompassing both nonionic and anionic types, along with a diverse array of additives. Concerning oils, the current trend leans towards the use of vegetable oils instead of mineral oils for environmental reasons. As vegetable oils are more prone to oxidation, chemical alterations, the addition of antioxidant may be necessary. The chemical aspects of the different compounds are scrutinized, in order to understand the role of each component and its impact on the fluid's lubricating, cooling, anti-wear, and anti-corrosion properties. Furthermore, the review explores the deformulation methodologies employed to dissect cutting fluids. This process involves a two-step approach: separating the aqueous and organic phases of the emulsions by physical or chemical treatments, and subsequently conducting a detailed analysis of each to identify the compounds. Several analytical techniques, including spectrometric or chromatographic, can be employed simultaneously to reveal the chemical structures of samples. This review aims to contribute to the improvement of waste treatment stemming from cutting fluids. By gathering extensive information about the formulation, deformulation, and chemistry of the ingredients, there is a potential to enhance the waste management and disposal effectively.


Assuntos
Emulsões , Tensoativos , Emulsões/química , Tensoativos/química , Óleos de Plantas/química , Óleo Mineral/química , Antioxidantes/química , Antioxidantes/análise , Oxirredução , Lubrificação , Lubrificantes/química , Fenômenos Químicos
19.
J Oleo Sci ; 73(7): 953-961, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38945924

RESUMO

Handwashing represents an important personal hygiene measure for preventing infection. Herein, we report the persistence of antibacterial and antiviral effects after handwashing with fatty acid salt-based hand soap. To this end, we developed a new in vitro test method to measure persistence, utilizing coacervation formed by anionic surfactants and cationic polymers to retain highly effective soap components against each bacterium and virus on the skin. Coacervation with fatty acid salts and poly diallyldimethylammonium chloride (PDADMAC) as a cationic polymer allowed the persistence of antibacterial and antiviral effects against E. coli, S. aureus, and influenza virus even 4 h after handwashing. Furthermore, we confirmed an increase in the number of residual components effective against each bacterium and virus on the skin. In summary, the current findings describe an effective approach for enhancing the protective effects of handwashing.


Assuntos
Antibacterianos , Antivirais , Escherichia coli , Desinfecção das Mãos , Polietilenos , Compostos de Amônio Quaternário , Pele , Sabões , Staphylococcus aureus , Tensoativos , Sabões/farmacologia , Escherichia coli/efeitos dos fármacos , Desinfecção das Mãos/métodos , Compostos de Amônio Quaternário/farmacologia , Antibacterianos/farmacologia , Staphylococcus aureus/efeitos dos fármacos , Antivirais/farmacologia , Pele/efeitos dos fármacos , Pele/microbiologia , Tensoativos/farmacologia , Humanos , Ácidos Graxos/farmacologia , Ácidos Graxos/análise , Fatores de Tempo , Orthomyxoviridae/efeitos dos fármacos
20.
ACS Appl Mater Interfaces ; 16(26): 34409-34418, 2024 Jul 03.
Artigo em Inglês | MEDLINE | ID: mdl-38889207

RESUMO

Nanosizing drug crystals has emerged as a successful approach to enabling oral bioavailability, as increasing drug crystal surface area improves dissolution kinetics and effective solubility. Recently, bottom-up methods have been developed to directly assemble nanosized crystals by leveraging polymer and surfactant excipients during crystallization to control crystal size, morphology, and structure. However, while significant research has investigated how polymers and other single additives inhibit or promote crystallization in pharmaceutical systems, there is little work studying the mechanistic interactions of multiple excipients on drug crystal structure and the extent of crystallinity, which can influence formulation performance. This study explores how the structure and crystallinity of a model hydrophobic drug crystal, fenofibrate, change as a result of competitive interfacial chemisorption between common nonionic surfactants (polysorbate 80 and sorbitan monooleate) and a surface-active polymer excipient (methylcellulose). Classical molecular dynamics simulations highlight how key intermolecular interactions, including surfactant-polymer complexation and surfactant screening of the crystal surface, modify the resulting crystal structure. In parallel, experiments generating drug nanocrystals in hydrogel thin films validate that drug crystallinity increases with an increasing weight fraction of surfactant. Simulation results reveal a connection between accelerated dynamics in the bulk crystal and the experimentally measured extent of crystallinity. To our knowledge, these are the first simulations that directly characterize structural changes in a drug crystal as a result of excipient surface composition and relate the experimental extent of crystallinity to structural changes in the molecular crystal. Our approach provides a mechanistic understanding of crystallinity in nanocrystallization, which can expand the range of orally deliverable small molecule therapies.


Assuntos
Cristalização , Fenofibrato , Simulação de Dinâmica Molecular , Nanopartículas , Tensoativos , Tensoativos/química , Nanopartículas/química , Fenofibrato/química , Hexoses/química , Polissorbatos/química , Metilcelulose/química , Propriedades de Superfície , Interações Hidrofóbicas e Hidrofílicas , Polímeros/química
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