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1.
Polymers (Basel) ; 16(17)2024 Sep 05.
Artículo en Inglés | MEDLINE | ID: mdl-39274154

RESUMEN

This study investigates hydrogels based on 2-Acrylamido-2-methyl-1-propanesulfonic acid sodium salt (AMPS) copolymers, incorporating N-hydroxyethyl acrylamide (HEA) and 3-sulfopropyl acrylate potassium salt (SPA). The addition of HEA and SPA is designed to fine-tune the hydrogels' water absorption and mechanical properties, ultimately enhancing their characteristics and expanding their potential for biomedical applications. A copolymer of AMPS, 2-carboxyethyl acrylate (CEA) combined with methacrylic acid (MAA) as poly(AMPS-stat-CEA-stat-MAA, PACM), was preliminarily synthesized. CEA and MAA were modified with allyl glycidyl ether (AGE) through ring-opening, yielding macromers with pendant allyl groups (PACM-AGE). Copolymers poly(AMPS-stat-HEA-stat-CEA-stat-MAA) (PAHCM) and poly(AMPS-stat-SPA-stat-CEA-stat-MAA) (PASCM) were also synthesized and modified with AGE to produce PAHCM-AGE and PASCM-AGE macromers. These copolymers and macromers were characterized by 1H NMR, FT-IR, and GPC, confirming successful synthesis and functionalization. The macromers were then photocrosslinked into hydrogels and evaluated for swelling, water content, and mechanical properties. The results revealed that the PASCM-AGE hydrogels exhibited superior swelling ratios and water retention, achieving equilibrium water content (~92%) within 30 min. While the mechanical properties of HEA and SPA containing hydrogels show significant differences compared to PACM-AGE hydrogel (tensile strength 2.5 MPa, elongation 47%), HEA containing PAHCM-AGE has a higher tensile strength (5.8 MPa) but lower elongation (19%). In contrast, SPA in the PASCM-AGE hydrogels led to both higher tensile strength (3.7 MPa) and greater elongation (92%), allowing for a broader range of hydrogel properties. An initial study on drug delivery behavior was conducted using PACM-AGE hydrogels loaded with photosensitizers, showing effective absorption, release, and antibacterial activity under light exposure. These AMPS-based macromers with HEA and SPA modifications demonstrate enhanced properties, making them promising for wound management and drug delivery applications.

2.
Polymers (Basel) ; 16(13)2024 Jun 25.
Artículo en Inglés | MEDLINE | ID: mdl-39000654

RESUMEN

Anti-inflammatory wound healing involves targeted drug delivery to the wound site using hydrogel materials to prolong drug effectiveness. In this work, hydrogel films were fabricated using carboxymethyl cellulose (CMC) and poly(vinyl alcohol) (PVA) crosslinked with citric acid (CA) and glutaraldehyde (GA) at different concentrations. The crosslinker densities were optimized with various CA (2-10% w/v) and GA (1-5% v/v) concentrations. The optimized crosslink densities in the hydrogel exhibited additional functional group peaks in the FT-IR spectra at 1740 cm-1 for the C=O stretching of the ester linkage in CA and at 1060 cm-1 for the C-O-C stretching of the ether group in GA. Significantly, the internal porous structures of hydrogel composite films improved density, swelling capacities, solubility percentage reduction, and decreased water retention capacities with optimized crosslinker densities. Therefore, these hydrogel composite films were utilized as drug carriers for controlled drug release within 24 h during medical treatment. Moreover, the hydrogel films demonstrated increased triamcinolone acetonide (TAA) absorption with higher crosslinker density, resulting in delayed drug release and improved TAA efficiency in anti-inflammatory activity. As a result, the modified hydrogel showed the capability of being an alternative material with enhanced anti-inflammatory efficiency with hydrogel films.

3.
Polymers (Basel) ; 16(13)2024 Jul 01.
Artículo en Inglés | MEDLINE | ID: mdl-39000736

RESUMEN

The present study aimed to extract nanocellulose (NC) from sugarcane bagasse agricultural waste through a chemical method (sulfuric acid hydrolysis and ultrasonication). Subsequently, the nanocellulose product was conjugated with polylysine (NC-PL) and assessed for its efficacy in reducing the toxicity of Fumonisin B1 (FB1), a mycotoxin produced by fungi commonly found in corn, wheat, and other grains. Experimental results confirmed the successful conjugation of NC and PL, as evidenced by FTIR peaks at 1635 and 1625 cm-1 indicating amide I and amide II vibrations in polylysine (PL). SEM analysis revealed a larger size due to PL coating, consistent with DLS results showing the increased size and positive charge (38.0 mV) on the NC-PL surface. Moreover, the effect of FB1 adsorption by NC and NC-PL was evaluated at various concentrations (0-200,000 µg/mL). NC-PL demonstrated the ability to adsorb FB1 at concentrations of 2000, 20,000, and 200,000 µg/mL, with adsorption efficiencies of 94.4-100%. Human hepatocellular carcinoma (HepG2) cells were utilized to assess NC and NC-PL cytotoxic effects. This result is a preliminary step towards standardizing results for future studies on their application as novel FB1 binders in food, food packaging, and functional feeds.

4.
Int J Biol Macromol ; 270(Pt 2): 132380, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38754656

RESUMEN

Clean water and sanitation issues motivate researchers to develop water evaporators for freshwater generation. The composite membrane evaporator was electrospun herein based on poly(lactic acid) (PLA) and Ti3AlC2 MAX phase as a property enhancer. As a precursor for the MXenes synthesis, the MAX phase has never been explored with PLA for water evaporator potential. Alternative use of the MAX phase can reduce the production cost arising from chemical synthesis. This work explored the potential of the MAX phase as an additive to enhance PLA membrane performance for steam generation and desalination applications. Under the infrared irradiation (∼1.0 kW/m2), the mechanically-improved PLA/MAX phase membrane showed an enhanced water evaporation rate of 1.70 kg/m2 h (93.93 % efficiency), with an approximately 52 % rate increment relative to the PLA membrane. Based on the artificial seawater (3.5 % w/w), the membrane exhibited an evaporation rate of 1.60 kg/m2 h (87.57 % efficiency). The membrane showed self-floating ability at the air-water interface, excellent thermal stability over the entire operating temperatures, and reusability after repeated cycles. Moreover, the generated freshwater contained exceptionally low cations concentrations, as low as those in potable water. The developed composite membrane also had proved its potential for solar desalination in the water generation field.


Asunto(s)
Membranas Artificiales , Poliésteres , Vapor , Titanio , Purificación del Agua , Poliésteres/química , Titanio/química , Purificación del Agua/métodos , Luz Solar
5.
Int J Biol Macromol ; 262(Pt 1): 129967, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38316324

RESUMEN

MXenes, synthesized from their precursor MAX phases, have been extensively researched as additives to enhance the drug delivery performance of polymer matrices, whereas there is a limited number of previous reports on the use of MAX phases themselves for such applications. The use of MAX phases can exclude the complicated synthesis procedure and lessen resultant production and environmental costs required to convert MAX phases to MXenes. Herein, electrospun membranes of poly(lactic acid) (PLA) and a MAX phase (Ti3AlC2) have been fabricated for curcumin delivery. The composite membrane exhibits significantly higher toughness (8.82 MJ m-3) than the plasticized PLA membrane (0.63 MJ m-3) with low cytotoxicity, supporting proliferation of mouse fibroblast L929 cells. The curcumin-loaded composite membrane exhibits high water vapor transmission (∼7350 g m-2 day-1), porosity (∼85 %), water wettability, and antibacterial properties against E. coli and S. aureus. Seven-day curcumin release is enhanced from 45 % (PLA) to 67 % (composite) due to curcumin diffusion from the polymer fibers and MAX phase surface that contributes to overall increased curcumin adsorption and release sites. This work demonstrates the potential of the MAX phase to enhance both properties and curcumin delivery, promising for other eco-friendly systems for sustainable drug delivery applications.


Asunto(s)
Curcumina , Animales , Ratones , Curcumina/farmacología , Staphylococcus aureus , Escherichia coli , Titanio , Poliésteres , Antibacterianos/farmacología , Polímeros
6.
Int J Biol Macromol ; 253(Pt 2): 126712, 2023 Dec 31.
Artículo en Inglés | MEDLINE | ID: mdl-37673164

RESUMEN

Bacterial cellulose (BC) is a biomaterial being investigated for a range of applications. Herein, BC films derived from nata de coco pieces are reinforced by two-dimensional molybdenum disulfide (MoS2) and helical carbon nanotubes (HCNTs) to enhance their tensile mechanical properties, and the biocompatibility of the BC composite films is demonstrated. A simple preparation is presented using a kitchen blender to disperse and blend the BC fibers and additives in a common fabrication medium, followed by vacuum filtration. The mechanical properties of the BC/MoS2/HCNTs composite films are enhanced due to the synergistic effect of MoS2 and HCNTs embedded in the BC films. The MoS2/HCNTs binary additive (1 phr) is capable of increasing the strength and Young's modulus by 148 % and 333 %, respectively, relative to the BC films. The cell cytotoxicity of the BC/MoS2/HCNTs films was assessed using an MTT assay. The composite films are biocompatible with a cell viability of L929 fibroblast cells >70 %, coupled with observations of direct cell attachment on the films. The composite films also exhibited good performance in absorbing and releasing gentamicin antibiotics to inhibit the growth of Escherichia coli and Staphylococcus aureus. The BC/MoS2/HCNTs films are thus potential BC-based candidates as biocompatible robust antibiotic carriers.


Asunto(s)
Celulosa , Nanotubos de Carbono , Celulosa/farmacología , Portadores de Fármacos/farmacología , Molibdeno/farmacología , Antibacterianos/farmacología , Escherichia coli
7.
Int J Biol Macromol ; 253(Pt 3): 126783, 2023 Dec 31.
Artículo en Inglés | MEDLINE | ID: mdl-37699462

RESUMEN

Novel biodegradable thermoplastic starch (TPS) with high mechanical properties and water resistance was developed using reactive blending technique. Effect of zinc oxide (ZnO) addition to TPS properties and reaction was investigated. Thermoplastic modified starch (TPMS) was prepared by melt-mixing modified starch with glycerol 70/30%wt/wt. Carboxy methyl cellulose (CMC) 5%wt was incorporated with modified starch, glycerol, and zinc oxide (ZnO) 0-5 %wt. Fourier-transform infrared (FTIR) spectroscopy analysis confirmed the formation of the carboxyl anion (OZn) between the -COO- of CMC and the free Zn+ ion of ZnO. The tensile strength of the TPMS/CMC/ZnO blend increased 7 time with ZnO 5 % (14 MPa) addition compared to TPMS (2 MPa). The color (∆E) of TPMS/CMC/ZnO differed notably at high ZnO concentrations (1-5 %wt). The TPMS/CMC blend displayed a smooth fracture surface due to the miscibility of the materials. Small particles of ZnO dispersed finely in the TPMS matrix and increased the interfacial tension and water contact angle of the blends. The miscibility of TPS with CMC and the occurrence of ionic interactions of -COO- of CMC and -OH of starch with the Zn+ ion as physical crosslinking were indicated to improve the mechanical properties and water resistance of the blends.


Asunto(s)
Agua , Óxido de Zinc , Óxido de Zinc/química , Carboximetilcelulosa de Sodio/química , Almidón/química , Glicerol
8.
Polymers (Basel) ; 15(16)2023 Aug 21.
Artículo en Inglés | MEDLINE | ID: mdl-37631544

RESUMEN

Biodegradable starch-based polymers were developed by melt-blending modified thermoplastic starch (MTPS) with poly(butylene succinate) (PBS) blended with epoxy resin (Er). A modified thermoplastic starch blend with chlorhexidine gluconate (MTPSCh) was prepared by melt-blending cassava starch with glycerol and chlorhexidine gluconate (CHG) 1.0% wt. The Er was melt-blended with PBS (PBSE) at concentrations of 0.50%, 1.0%, 2.5%, and 5.0% (wt%/wt%). The mechanical properties, water resistance, and morphology of the MTPSCh/PBSE blends were investigated. The MTPSCh/PBSE2.5% blend showed an improvement in tensile strength (8.1 MPa) and elongation at break (86%) compared to the TPSCh/PBS blend (2.6 MPa and 53%, respectively). In addition, water contact angle measurements indicated an increase in the hydrophobicity of the MTPSCh/PBSE blends. Thermogravimetric analysis showed an improvement in thermal stability when PBS was added to the MTPSCh blends. Fourier transform infrared spectroscopy data confirmed a new reaction between the amino groups of CHG in MTPSCh and the epoxy groups of Er in PBSE, which improved the interfacial adhesion of the MTPSCh/PBSE blends. This reaction improved the mechanical properties, water resistance, morphology, and thermal stability of the TPSCh/PBSE blends.

9.
Polymers (Basel) ; 15(12)2023 Jun 08.
Artículo en Inglés | MEDLINE | ID: mdl-37376268

RESUMEN

Cellulose from different species of bamboo (Thyrsostachys siamesi Gamble, Dendrocalamus sericeus Munro (DSM), Bambusa logispatha, and Bambusa sp.) was converted to cellulose nanocrystals (CNCs) by a chemical-mechanical method. First, bamboo fibers were pre-treated (removal of lignin and hemicellulose) to obtain cellulose. Next, the cellulose was hydrolyzed with sulfuric acid using ultrasonication to obtain CNCs. The diameters of CNCs are in the range of 11-375 nm. The CNCs from DSM showed the highest yield and crystallinity, which was chosen in the film fabrication. The plasticized cassava starch-based films with various amounts (0-0.6 g) of CNCs (from DSM) were prepared and characterized. As the number of CNCs in cassava starch-based films increased, water solubility and the water vapor permeability of CNCs decreased. In addition, the atomic force microscope of the nanocomposite films showed that CNC particles were dispersed uniformly on the surface of cassava starch-based film at 0.2 and 0.4 g content. However, the number of CNCs at 0.6 g resulted in more CNC agglomeration in cassava starch-based films. The 0.4 g CNC in cassava starch-based film was found to have the highest tensile strength (4.2 MPa). Cassava starch-incorporated CNCs from bamboo film can be applied as a biodegradable packaging material.

10.
Polymers (Basel) ; 15(11)2023 Jun 02.
Artículo en Inglés | MEDLINE | ID: mdl-37299357

RESUMEN

The wound-healing process can be disrupted at any stage due to various internal and external factors. The inflammatory stage of the process plays a vital role in determining the outcome of the wound. Prolonged inflammation due to bacterial infection can lead to tissue damage, slow healing, and complications. Wound dressings made using materials such as poly (vinyl alcohol) (PVA), chitosan (CS), and poly (ethylene glycol) (PEG) with Mangifera extract (ME) added can help reduce infection and inflammation, creating a conducive environment for faster healing. However, creating the electrospun membrane is challenging due to balancing various forces such as rheological behavior, conductivity, and surface tension. To improve the electrospinnability of the polymer solution, an atmospheric pressure plasma jet can induce chemistry in the solution and increase the polarity of the solvent. Thus, this research aims to investigate the effect of plasma treatment on PVA, CS, and PEG polymer solutions and fabricate ME wound dressing via electrospinning. The results indicated that increasing plasma treatment time increased the viscosity of the polymer solution, from 269 mPa∙to 331 mPa∙s after 60 min, and led to an increase in conductivity from 298 mS/cm to 330 mS/cm and an increase in nanofiber diameter from 90 ± 40 nm to 109 ± 49 nm. Incorporating 1% mangiferin extract into an electrospun nanofiber membrane has been found to increase the inhibition rates of Escherichia coli and Staphylococcus aureus by 29.2% and 61.2%, respectively. Additionally, the fiber diameter decreases when compared with the electrospun nanofiber membrane without ME. Our findings demonstrate that electrospun nanofiber membrane with ME has anti-infective properties and can promote faster wound healing.

11.
Int J Biol Macromol ; 244: 125390, 2023 Jul 31.
Artículo en Inglés | MEDLINE | ID: mdl-37330098

RESUMEN

With the increasing water consumption, water evaporators have been investigated for clean water production. Herein, the fabrication of electrospun composite membrane evaporators based on ethyl cellulose (EC), with the incorporation of light-absorption enhancers 2D MoS2 and helical carbon nanotubes, for steam generation and solar desalination is described. Under natural sunlight, the maximum water evaporation rate was 2.02 kg m-2 h-1 with an evaporation efficiency of 93.2 % (1 sun) and reached 2.42 kg m-2 h-1 at 12:00 pm (1.35 sun). The composite membranes demonstrated self-floating on the air-water interface and minimal accumulation of superficial salt during the desalination process due to the hydrophobic character of EC. For concentrated saline water (21 wt% NaCl), the composite membranes maintained a relatively high evaporation rate of up to ~79 % compared to the freshwater evaporation rate. The composite membranes are robust due to the thermomechanical stability of the polymer even while operating under steam-generating conditions. Over repeated use, they exhibited excellent reusability with a relative water mass change of >90 % compared to the first evaporation cycle. Moreover, desalination of artificial seawater produced a lower cation concentration (~3-5 orders of magnitude) and thereby yielded potable water, indicating the potential for solar-driven freshwater generation.


Asunto(s)
Molibdeno , Nanotubos de Carbono , Vapor , Luz Solar , Cloruro de Sodio
12.
Int J Biol Macromol ; 242(Pt 1): 124726, 2023 Jul 01.
Artículo en Inglés | MEDLINE | ID: mdl-37172702

RESUMEN

Plastic waste is one cause of climate change. To solve this problem, packaging films are increasingly produced from biodegradable polymers. Eco-friendly carboxymethyl cellulose and its blends have been developed for such a solution. Herein, a unique strategy is demonstrated to improve the mechanical and barrier properties of carboxymethyl cellulose/poly(vinyl alcohol) (CMC/PVA) blended films for the packaging of nonfood dried products. The blended films were impregnated with buckypapers containing different combinations of multiwalled carbon nanotubes, two-dimensional molybdenum disulfide (2D MoS2) nanoplatelets, and helical carbon nanotubes (HCNTs). Compared to the blend, the polymer composite films exhibit significant increases in tensile strength (~105 %, from 25.53 to 52.41 MPa), Young's modulus (~297 %, from 155.48 to 617.48 MPa), and toughness (~46 %, from 6.69 to 9.75 MJ m-3). Polymer composite films containing HCNTs in buckypapers offer the highest toughness. For barrier properties, the polymer composite films are opaque. The water vapor transmission rate of the blended films decreases (~52 %, from 13.09 to 6.25 g h-1 m-2). Moreover, the maximum thermal-degradation temperature of the blend rises from 296 to 301 °C, especially for the polymer composite films with buckypapers containing MoS2 nanosheets that contribute to the barrier effect for both water vapor and thermal-decomposition gas molecules.


Asunto(s)
Nanotubos de Carbono , Alcohol Polivinílico , Carboximetilcelulosa de Sodio , Vapor , Molibdeno , Celulosa , Resistencia a la Tracción
13.
J Funct Biomater ; 14(5)2023 May 14.
Artículo en Inglés | MEDLINE | ID: mdl-37233385

RESUMEN

Bioresorbable polymeric membranes for guided bone regeneration (GBR) were fabricated using the three-dimensional printing technique. Membranes made of polylactic-co-glycolic acid (PLGA), which consist of lactic acid (LA) and glycolic acid in ratios of 10:90 (group A) and 70:30 (group B), were compared. Their physical characteristics including architecture, surface wettability, mechanical properties, and degradability were compared in vitro, and their biocompatibilities were compared in vitro and in vivo. The results demonstrated that the membranes of group B had mechanical strength and could support the proliferation of fibroblasts and osteoblasts significantly better than those of group A (p < 0.05). The degradation rate in Group B was significantly lower than that in Group A, but they significantly produced less acidic environment (p < 0.05). In vivo, the membranes of group B were compared with the commercially available collagen membranes (group C). The amount of newly formed bone of rat's calvarial defects covered with the membranes of group C was stable after week 2, whereas that of group B increased over time. At week 8, the new bone volumes in group B were greater than those in group C (p > 0.05). In conclusion, the physical and biological properties of the PLGA membrane (LA:GA, 70:30) were suitable for GBR.

14.
Sci Rep ; 13(1): 727, 2023 01 13.
Artículo en Inglés | MEDLINE | ID: mdl-36639688

RESUMEN

Open burning of agricultural residues causes numerous complications including particulate matter pollution in the air, soil degradation, global warming and many more. Since they possess bio-conversion potential, agro-industrial residues including sugarcane bagasse (SCB), rice straw (RS), corncob (CC) and sweet sorghum bagasse (SSB) were chosen for the study. Yeast strains, Candida tropicalis, C. shehatae, Saccharomyces cerevisiae, and Kluyveromyces marxianus var. marxianus were compared for their production potential of bioethanol and phenylacetylcarbinol (PAC), an intermediate in the manufacture of crucial pharmaceuticals, namely, ephedrine, and pseudoephedrine. Among the substrates and yeasts evaluated, RS cultivated with C. tropicalis produced significantly (p ≤ 0.05) higher ethanol concentration at 15.3 g L-1 after 24 h cultivation. The product per substrate yield (Yeth/s) was 0.38 g g-1 with the volumetric productivity (Qp) of 0.64 g L-1 h-1 and fermentation efficiency of 73.6% based on a theoretical yield of 0.51 g ethanol/g glucose. C. tropicalis grown in RS medium produced 0.303 U mL-1 pyruvate decarboxylase (PDC), a key enzyme that catalyzes the production of PAC, with a specific activity of 0.400 U mg-1 protein after 24 h cultivation. This present study also compared the whole cells biomass of C. tropicalis with its partially purified PDC preparation for PAC biotransformation. The whole cells C. tropicalis PDC at 1.29 U mL-1 produced an overall concentration of 62.3 mM PAC, which was 68.4% higher when compared to partially purified enzyme preparation. The results suggest that the valorization of lignocellulosic residues into bioethanol and PAC will not only aid in mitigating the environmental challenge posed by their surroundings but also has the potential to improve the bioeconomy.


Asunto(s)
Oryza , Saccharum , Sorghum , Celulosa/metabolismo , Oryza/metabolismo , Sorghum/metabolismo , Saccharum/metabolismo , Fermentación , Saccharomyces cerevisiae/metabolismo , Candida tropicalis/metabolismo , Etanol/metabolismo
15.
Polymers (Basel) ; 15(2)2023 Jan 06.
Artículo en Inglés | MEDLINE | ID: mdl-36679184

RESUMEN

Ternary-blended, melt-blown films of polylactide (PLA), polycaprolactone (PCL) and cellulose acetate butyrate (CAB) were prepared from preliminary miscibility data using a rapid screening method and optical ternary phase diagram (presented as clear, translucent, and opaque regions) as a guide for the composition selection. The compositions that provided optically clear regions were selected for melt blending. The ternary (PLA/PCL/CAB) blends were first melt-extruded and then melt-blown to form films and characterized for their tensile properties, tensile fractured-surface morphology, miscibility, crystallinity, molecular weight and chemical structure. The results showed that the tensile elongation at the break (%elongation) of the ternary-blended, melt-blown films (85/5/10, 75/10/15, 60/15/25 of PLA/PCL/CAB) was substantially higher (>350%) than pure PLA (ca. 20%). The range of compositions in which a significant increase in %elongation was observed at 55−85% w/w PLA, 5−20% w/w PCL and 10−25% w/w CAB. Films with high %elongation all showed good interfacial interactions between the dispersed phase (PCL and CAB) and matrix (PLA) in FE-SEM and showed improvements in miscibility (higher intermolecular interaction and mixing) and a decrease in the glass transition temperature, when compared to the low %elongation films. The decrease in Mw and Mn and the formation of the new NMR peaks (1H NMR at 3.68−3.73 ppm and 13C NMR at 58.54 ppm) were observed in only the high %elongation films. These are expected to be in situ compatibilizers that are generated during the melt processing, mostly by chain scission. In addition, mathematical modelling was used to study the optimal ratio and cost-effectiveness of blends with optimised mechanical properties. These ternary-blended, melt-blown films have the potential for use in both packaging and medical devices with excellent mechanical performance as well as inherent economic and environmental capabilities.

16.
J Chem Inf Model ; 63(7): 2104-2121, 2023 04 10.
Artículo en Inglés | MEDLINE | ID: mdl-36647612

RESUMEN

The emergence of SARS-CoV-2 in December 2019 has become a global issue due to the continuous upsurge in patients and the lack of drug efficacy for treatment. SARS-CoV-2 3CLPro is one of the most intriguing biomolecular targets among scientists worldwide for developing antiviral drugs due to its relevance in viral replication and transcription. Herein, we utilized computer-assisted drug screening to investigate 326 natural products from Thai traditional plants using structure-based virtual screening against SARS-CoV-2 3CLPro. Following the virtual screening, the top 15 compounds based on binding energy and their interactions with key amino acid Cys145 were obtained. Subsequently, they were further evaluated for protein-ligand complex stability via molecular dynamics simulation and binding free energy calculation using molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) approaches. Following drug-likeness and ADME/Tox assessments, seven bisbenzylisoquinolines were obtained, including neferine (3), liensinine (4), isoliensinine (5), dinklacorine (8), tiliacorinine (13), 2'-nortiliacorinine (14), and yanangcorinine (15). These compounds computationally showed a higher binding affinity than native N3 and GC-373 inhibitors and attained stable interactions on the active site of 3CLpro during 100 ns in molecular dynamics (MD) simulation. Moreover, the in vitro enzymatic assay showed that most bisbenzylisoquinolines could experimentally inhibit SARS-CoV-2 3CLPro. To our delight, isoliensinine (5) isolated from Nelumbo nucifera demonstrated the highest inhibition of protease activity with the IC50 value of 29.93 µM with low toxicity on Vero cells. Our findings suggested that bisbenzylisoquinoline scaffolds could be potentially used as an in vivo model for the development of effective anti-SARS-CoV-2 drugs.


Asunto(s)
Antivirales , Bencilisoquinolinas , SARS-CoV-2 , Animales , Humanos , Antivirales/farmacología , Bencilisoquinolinas/farmacología , Chlorocebus aethiops , COVID-19 , Simulación del Acoplamiento Molecular , Simulación de Dinámica Molecular , Inhibidores de Proteasas , SARS-CoV-2/efectos de los fármacos , Células Vero , Plantas Medicinales/química , Fitoquímicos/farmacología
17.
Carbohydr Polym ; 301(Pt B): 120328, 2023 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-36446505

RESUMEN

An antimicrobial thermoplastic starch (TPS) was developed by melt-mixing TPS with chlorhexidine gluconate (CHG) and epoxy resin (Er). The tensile strength and hardness of the TPSCh blend increased with the addition of Er (TPSCh/Er), especially at 5 wt% Er (TPSCh/Er5) (19.5 MPa and 95 %, respectively). The water contact angle of TPSCh/Er was higher than those of TPS and TPSCh because of the improved interfacial tension. Fourier transform infrared and nuclear magnetic resonance analyses confirmed the reaction between the epoxy groups of Er, hydroxyl groups of starch, and amino groups of CHG. TPSCh/Er5 exhibited a significantly lower CHG release than TPSCh owing to the rearrangement of TPSCh chains via Er crosslinking. TPSCh/Er0.5 and TPSCh/Er1 showed inhibition zones against both tested bacteria (Staphylococcus aureus and Bacillus cereus), whereas TPSCh/Er2.5, TPSCh/Er5, and TPSCh/Er10 showed inhibition zones only against S. aureus. Moreover, TPSCh and TPSCh/Er0.5-2.5 exhibited inhibition zones with Saccharomyces cerevisiae.


Asunto(s)
Antiinfecciosos , Resinas Epoxi , Almidón , Staphylococcus aureus , Antibacterianos
18.
Arch Microbiol ; 205(1): 34, 2022 Dec 21.
Artículo en Inglés | MEDLINE | ID: mdl-36542149

RESUMEN

Polyhydroxyalkanoates (PHAs) including poly-3-hydroxybutyrate (P3HB) as secondary metabolisms were in vitro produced by the edible basidiomycetous mushroom Astraeus odoratus during its growth on malt agar extract. Various carbon and nitrogen sources containing cellulose, glucose, glycerol, rice straw powder, soybean meal and peptone were investigated for the growth of basidiomycetous mushrooms. During cultivation, the A. odoratus culture exudated the considerably extracellular fluid up to approx. 2.3 ml on 2% malt extract agar plate within 7 days. The chemical compounds of the exudated fluid were further investigated by Fourier-transform infrared spectroscopy (FTIR) and gas chromatography/mass spectrometry (GC/MS); and its morphology of the lyophilized sample was observed by scanning electron microscope (SEM). FTIR results showed the characteristic bands of OH at 3445 cm-1, CH/CH2/symmetric CH3 (stretch) at 2923 and 2852 cm-1, C=O at 1730 cm-1, asymmetric CH3 (bend) at 1454 and 1414 cm-1, C-O of COO- at 1396 cm-1 and C-O-C at 1223, 1160, 1116, 1058 and 1019 cm-1 which were similar to the absorptive characteristics of P3HB. Methyl ester derivatives of GC/MS results identified 7 compounds including: 3-hydroxybutanoic (monomer of PHB), aminobenzoic, salicylic, hexadecenoic, octadecadienoic, octadecenoic and octadecanoic acids. SEM images revealed a fibriform and porous materials. Hence, the occurrence of PHAs was first described in a basidiomycetous mushroom A. odoratus. Thus, PHAs could be found not only in bacteria and but also in basidiomycetous mushroom, which can be promising target for bioplastics and green environmental studies.


Asunto(s)
Agaricales , Basidiomycota , Polihidroxialcanoatos , Polihidroxialcanoatos/química , Agar , Poliésteres , Hidroxibutiratos
19.
Micromachines (Basel) ; 13(10)2022 Oct 18.
Artículo en Inglés | MEDLINE | ID: mdl-36296114

RESUMEN

Rapid release and diminished stability are two of the limitations associated with the growth factors that are essentially used in dental applications. These growth factors are employed to enhance the quality and quantity of tissue or bone matter during regeneration. Therefore, drug delivery devices and systems have been developed to address these limitations. In this study, bovine serum albumin (BSA), as a representative growth factor, was successfully sustained by encapsulation with the medium-absorbable copolymer, poly(L-lactide-co-glycolide) (PLG) 70:30% mol, via the multiple emulsion method. Different PLG, PVA, and BSA concentrations were used to investigate their effects on the BSA encapsulation efficiency. The suitable ratios leading to a better characterization of microparticles and a higher encapsulation efficiency in producing encapsulated PLG microparticles were 8% (w/v) of PLG, 0.25% (w/v) of PVA, and 8% (w/v) of BSA. Furthermore, an in vitro release study revealed a bursting release of BSA from the encapsulated PLG microsphere in the early phase of development. Subsequently, a gradual release was observed over a period of eight weeks. Furthermore, to encapsulate LL-37, different proteins were used in conjunction with PLG under identical conditions with regard to the loading efficiency and morphology, thereby indicating high variations and poor reproducibility. In conclusion, the encapsulated PLG microparticles could effectively protect the protein during encapsulation and could facilitate sustainable protein release over a period of 60 days. Importantly, an optimal method must be employed in order to achieve a high degree of encapsulation efficiency for all of the protein or growth factors. Accordingly, the outcomes of this study will be useful in the manufacture of drug delivery devices that require medium-sustained release growth factors, particularly in dental treatments.

20.
J Org Chem ; 87(18): 12052-12064, 2022 Sep 16.
Artículo en Inglés | MEDLINE | ID: mdl-36073019

RESUMEN

The Lewis acid organocatalytic system of lithium tetramethylene-tethered bis[N-(N'-butylimidazol-2-ylidene)] N-heterocyclic carbene (1,4-bisNHC) including lithium benzyloxide and benzyl alcohol has been successfully utilized in the ring-opening polymerization (ROP) of ε-caprolactone (CL) for the first time. The catalytic performance of this organic catalyst in the synthesis of high-molecular-weight polymers was investigated via bulk polymerization using different combinations of tetramethylene-tethered bis[N-(N'-butylimidazolium)] hexafluorophosphate (1,4-bis[Bim][PF6]), benzyl alcohol (BnOH), and n-butyl lithium (nBuLi) ([1,4-bis[Bim][PF6]]/[BnOH]/[nBuLi]) with the molar ratios of 0:2:2, 1:1:3, 1:2:3, and 1:2:4. The results showed that the molar ratio of 1:2:3 efficiently and rapidly initiated the bulk ROP of CL at room temperature with a high molar ratio of CL to 1,4-bis[Bim][PF6] of 3000/1 and produced the highest number of average-molecular-weight (Mn) poly(ε-caprolactone) (103,057 g mol-1) with the dispersity (D̵) and %conversion of 1.73 and 98% in a short period of time (152 s). From comparative studies, the relative polymerization rates of the bulk ROP of CL with different [1,4-bis[Bim][PF6]]/[BnOH]/[nBuLi] molar ratios was determined in the following order: 1:2:4 > 1:1:3 > 1:2:3 > 0:2:2. For mechanistic investigation, the bulk ROP mechanism of CL with our organic catalyst was proposed through the intramolecular bis-lithium-carbene interaction pathway for 1,4-bisNHC1,1,3, 1,4-bisNHC1,2,3, and 1,4-bisNHC1,2,4 systems.

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