Antibacterial and antioxidant textiles comprising silicene carbon quantum dots (sicqds)
Silicene-based carbon quantum dots in a polymer matrix with thymol form a nanocomposite coating that addresses the limitations of traditional textile treatments by providing effective antibacterial and antioxidant properties, enhancing textile durability and protection.
Patent Information
- Application Number
- PCT/CA2025/051580
- Authority / Receiving Office
- WO · WO
- Patent Type
- Applications
- Current Assignee / Owner
- Priority Date
- 2024-11-22
- Filing Date
- 2025-11-24
- Publication Date
- 2026-05-28
AI Technical Summary
Traditional textile treatments for antibacterial properties often use metal-based materials that are costly, environmentally harmful, and prone to leaching, while carbon quantum dots (CQDs) with antioxidant capabilities have been underexplored for such applications.
Development of silicene-based carbon quantum dots (SiCQDs) integrated with a polymer matrix and an antibacterial agent, such as thymol, to create a nanocomposite textile coating that provides antibacterial and antioxidant properties, enhancing UV protection, thermal stability, and mechanical strength.
The SiCQDs-polymer nanocomposite coating effectively inhibits bacterial growth and reduces free radicals, offering robust protection against pathogens and improving textile durability.
Smart Images

Figure CA2025051580_28052026_PF_FP_ABST
Abstract
Description
ANTIBACTERIAL AND ANTIOXIDANT TEXTILESCROSS-REFERENCE TO RELATED APPLICATIONS
[0001] The present application claims the benefit of priority from U.S. provisional patent application No. 63 / 723641 filed on November 22, 2024, the contents of which are incorporated herein by reference in their entirety.FIELD
[0002] The present disclosure relates to functional textiles and in particular, to functional textiles comprising silicene carbon quantum dots (SiCQDs) having antibacterial and antioxidant properties, methods of making and uses thereof.BACKGROUND
[0003] The textile industry has seen a growing adoption of nanomaterials in recent years, driven by their ability to significantly boost textile properties and processes economically[1]. They are able to adopt a variety of functions including antimicrobial resistance, water repellency, and flame retardancy[2]. These materials have come to be known as multifunctional textiles and have been gaining attention in a number of fields, such as healthcare, wearables, consumer-friendly textiles, packaging, aerospace, and transportation131. A particular field of interest is the healthcare industry, where medical professionals are in close contact with countless pathogens, bodily fluids, and other potentially infectious materials, creating an increased risk of exposure141. Healthcare textiles include bedsheets, blankets, towels, patient apparel, uniforms, gowns, and drapes for surgical procedures, amongst other materials which have been increasingly investigated as a fomite[5]. Further, it has been reported that pathogens are able to exist for weeks on contaminated textiles and can survive on cotton for up to 8 weeks[6]. Numerous studies have also shown that contaminated textiles have the potential to serve as a source of transmission for bacteria, highlighting the need for multifunctional textiles with antibacterial properties171.
[0004] Traditionally, textiles have been treated with various agents to elicit certain properties, such as the incorporation of antimicrobial compounds in fibers for antimicrobial purposes181. The effluents produced from traditional treatments can pose a risk to the environment and the health of the neighbouring flora and fauna[9]. In this context, metal-based materials, known fortheir antimicrobial properties, are commonly incorporated into textiles using techniques like electrospinning or coating1101. Metalsand technology used for their incorporation are known to be costly due to their high production and processing costs. Additionally, these metals lack strong chemical bonds with fibers, making them susceptible to leaching into the surrounding environment111]. As a result, there is a growing interest in textile or cellulose-based antimicrobial materials that are eco-friendly, sustainable, and non-toxic to humans.
[0005] Quantum dots (QDs) are a type of semiconductor nanomaterial that provides several benefits compared to dyes
[0012] . By regulating the particle size of the synthesized nanoparticle, the emitted color of the QDs can be easily adjusted. Due to the presence of toxic metallic compounds, the use of QDs is limited, particularly in medical purposes. Therefore, researchers are actively working to discover other safer or non-toxic alternatives. Carbon dots (CQDs) are a novel type of nanomaterial that has drawn substantial attention from the scientific community. This is primarily due to their distinctive characteristics, such as high chemical stability, good cytocompatibility, minimal nontoxic nature, catalytic performances, electroconductivity, outstanding optical properties, and negligible photo bleaching
[0013] . The integration of CQDs with polymer matrices holds significant potential. CQDs have a unique ability to act as both electron donors and electron acceptors, making them highly versatile for use as powerful pro-oxidants or antioxidants
[0014] . In contrast to the exploration being led on the numerous possible uses of CDs-polymer nanocomposites, the investigation of their antioxidant capabilities has been less explored.
[0006] The background herein is included solely to explain the context of the disclosure. This is not to be taken as an admission that any of the material referred to was published, known, or part of the common general knowledge as of the priority date.SUMMARY
[0007] The present disclosure provides an antibacterial and antioxidant textile and a pollution-free method of making said textile, wherein the textile is functionalized with a silicene-based carbon dots immobilized fluorescent polymer. The functionalized textile shows excellent UV protection behavior, thermal stability, breathability, mechanical strength, biocompatibility, antioxidant properties, and antibacterial properties, which can be used for preventing microbial contamination in healthcare.
[0008] Accordingly, in an aspect of the disclosure, a nanocomposite textile coating composition is provided, comprising:a plurality of silicene carbon quantum dots (SiCQDs) comprising polyethylene (PEI) and silicene; a polymer matrix; and an antibacterial agent; wherein the SiCQDs and the antibacterial agent are dispersed in the polymer matrix, and wherein the composition has antibacterial and antioxidant properties.
[0009] In one embodiment, the polymer in the polymer matrix is polyvinyl alcohol. In one embodiment, the antibacterial agent is thymol. In one embodiment, the PEI is branched PEI.
[0010] Also provided is a textile coated with a nanocomposite textile coating composition of the application.
[0011] Also provided is a method of making a nanocomposite textile coating composition comprising: subjecting an aqueous solution of silicene and polyethylenimine (PEI) to a hydrothermal reaction to obtain a SiCQD suspension; separating the SiCQDs from the suspension and drying the SiCQDs to obtain a plurality of SiCQDs; mixing a polymer and an antibacterial agent to obtain a polymer matrix / antibacterial agent mixture; and adding the plurality of SiCQDs to the polymer matrix / antibacterial agent mixture to obtain the nanocomposite coating composition.
[0012] Also provided is a nanocomposite textile coating composition produced by the method of making a nanocomposite textile coating composition as defined above, wherein the composition has antibacterial and antioxidant properties.
[0013] Also provided is a method of making a textile coated with the nanocomposite coating comprising applying the nanocomposite composition of the application or as prepared in the method of making a nanocomposite textile coating composition as defined above, onto the textile.
[0014] Also provided is a textile coated with the nanocomposite composition produced by the method of making a textile coated with the nanocomposite coating as defined above.
[0015] Also provided is a textile product comprising the textile coated with the nanocomposite textile coating composition of the application or a textile product comprising the textile coated with the nanocomposite composition, wherein the nanocomposite composition is produced by the method defined above.
[0016] In further aspects of the disclosure, there is included an antibacterial and antioxidant textile is provided, comprising: a textile; and an antibacterial and antioxidant element coated on the textile.
[0017] In one embodiment, the textile comprises one or more materials selected from the group consisting of nylon, polyester, polypropylene, acrylic, cotton, linen, wool, and silk.
[0018] In another embodiment, the antibacterial and antioxidant element comprises silicene-based carbon dots (SiCQDs), polyvinyl alcohol (PVA), and thymol.
[0019] Also provided is a method of making the antibacterial and antioxidant textile, comprising: preparing SiCQDs with a hydrothermal reaction using silicene, deionized water, and polyethylenimine (PEI); selecting the SiCQDs having a desired particle size; preparing a SiCQDs / polymer nanocomposite solution by mixing SiCQDs, PVA aqueous solution, and thymol ethanolic solution; activating a textile with a sodium hydroxide solution and a potassium permanganate solution; and dipping the activated textile into the SiCQDs / polymer nanocomposite solution for one or more coating cycles to obtain the antibacterial and antioxidant textile.
[0020] In one embodiment, the hydrothermal reaction has a reaction temperature that ranges from about 120 °C to about 200 °C.
[0021] In another embodiment, the hydrothermal reaction has a reaction time that ranges from about 18 hours to about 27 hours.
[0022] In another embodiment, the desired particle size of SiCQDs is the particle diameter under 10 nm.
[0023] In another embodiment, the PVA aqueous solution has a concentration of PVA that ranges from about 2% (w / v) to about 8% (w / v).
[0024] In another embodiment, the thymol ethanolic solution has a concentration of thymol that ranges from about 0.08 g / mL to about 0.25 g / mL.
[0025] In another embodiment, the coating cycle has a duration that ranges from about 1 minute to about 5 minutes.
[0026] Also provided is a use of an antibacterial and antioxidant textile as describe herein for antibacterial or antioxidant purpose of a textile product comprising a product selected from the group consisting of mattress, bed sheet, bed linen, pillow, pillowcase, blanket, comforter, duvet, duvet cover, quilt, sofa, sofa slipcover, curtain, towel, mat, clothing, feminine hygiene product, uniform, tactical gear, seat covers, upholstery, lab coat, hospital gown, hospital scrub, medical mask, gauze, gauze pad, wound covering, trans-dermal patch, and bandage.
[0027] Other features and advantages of the present disclosure will become apparent from the following detailed description. It should be understood, however, that the detailed description and the specific examples, while indicating embodiments of the disclosure, are given by way of illustration only and the scope of the claims should not be limited by these embodiments, but should be given the broadest interpretation consistent with the description as a whole.BRIEF DESCRIPTION OF THE DRAWINGS
[0028] Certain embodiments of the disclosure will now be described in greater detail with reference to the attached drawings in which:
[0029] FIGURE 1 shows the results of various characterization methods for exemplary SiCQDs of the disclosure: (a) UV -visible absorption spectrum of SiCQDs; (b) Emission spectra at various excitation wavelengths; (c) Fluorescence intensity over storage time of 30 days; (d) FTIR spectra; (e) XPS survey scan; High-resolution XPSscans of the (f) Cis, (g) Nls, (h) Ols, and (i) Si2p regions; and (j) and (k) TEM images of SiCQDs.
[0030] FIGURE 2 shows a synthesis method of SiCQDs in exemplary embodiments of the disclosure, along with pictures showing the SiCODs in solution in daylight and in UV light.
[0031] FIGURE 3 shows HAADF image of the SiCQDs (top left), and the corresponding elemental mapping images of O (top right), N (bottom left), and Si (bottom right), respectively in exemplary embodiments of the disclosure.
[0032] FIGURE 4 shows (a) DPPH free radical scavenging property of SiCQDs; (b) Digital images of DPPH solution demonstrating a gradual change in color from purple to pale yellow as SiCQDs concentration increases; (c) Radical scavenging activities of SiCQDs against ABTS radical cation; (d) Digital images of ABTS solution showing a gradual color change from deep greenish-blue to colourless as SiCQDs concentration increases; and (e) Various mechanisms of radical scavenging action of SiCQDs, all in exemplary embodiments of the disclosure.
[0033] FIGURE 5 shows schematic diagram of an exemplary fabrication method of coated cotton fabric by consecutive dipping and drying technique. The ingredients of the coated material are also presented on the left hand side of the schematic.
[0034] FIGURE 6 shows (a) FTIR spectra and(b) XPS spectra of the pristine (uncoated) and coated cotton; High resolution scans of (c) Cis and (d) Ols spectra for pristine cotton (uncoated); High resolution scans of (e) Cis, (f) Ols, (g) Nls, and (h) Si2p regions of coated cotton, all in exemplary embodiments of the disclosure.
[0035] FIGURE 7 shows SEM images of (a-c) uncoated cotton fabric; (d-f) single coating fabric (Cl); (g-i) 3 coating (C3); and (j-1) 5 coating (C5); all in exemplary embodiments of the disclosure.
[0036] FIGURE 8 shows (a) Stress vs strain plot of the uncoated and coated cotton fabrics (top line: C5, second from top: C3, second from bottom: Cl and bottom line CO, where “C#” refers to the number of coating cycles); (b) Histogram of the ultimate tensile strength and deformation of the uncoated and coated cotton fabrics; (c) Transmittance plot of different fabric samples within the wavelength range of 250-700nm; (d) A diagram showing a likely exemplary process by which the SiQD-based coated textiles achieve their better protection; (e) Relative increment in blocking (RIB) of UVA and UVB of the fabric specimens showing higher UV blocking with higher number of coating cycles; (f) TGA plot of the fabric samples; (g) differential TGA (DTG) plot of the fabrics showing the thermal degradation peaks, all in exemplary embodiments of the disclosure.
[0037] FIGURE 9 shows (a) The digital image of Quantum dot-Poly mer Composition (QPC) nanocomposite (nanocomposite textile coating composition of the application) under day light and UV light; (b) Digital images of different cotton samples: CO (untreated cotton), Cl, C3, and C5 under daylight. ; (c) Digital images of functional textile C3 in bent and rolled position under daylight and UV light; and (d) Schematic illustration of the interactions between SiCQDs, PVA chains, and cellulosic building units of cotton, all in exemplary embodiments of the disclosure.
[0038] FIGURE 10 shows (a-c) Textile robustness tests showing finger rubber test (in daylight) by the rough finger tips of nitrile gloves; (d-f) The finger rubbing test under UV light (365 nm) showing no residue chalk out from the coated textile surface; (g-j) Tape adhesion test by using scotch tape repeated adhesion in daylight; (k-n) Tape adhesion test performed under UV light (365 nm) showing no fluorescent particulate matters adhered into the scotch tape showing coating robustness against mechanical performances; (o,p) photographs showing the water vapour transmission performance of the breathable fabric; and (q,r) photographs showing the formation of ammonium chloride with the help of HC1 vapour (comes out from the beaker) and ammonia (in glass rod), all in exemplary embodiments of the disclosure.
[0039] FIGURE 11 shows antioxidant activity: from the DPPH radical scavenging assay (a) with various concentrations of coating nanocomposite and (b) with 1 to 5 layers of coating of the textile samples; From the ABTS radical cation scavenging assay (c) with various concentrations of coating nanocomposite and (d) with 1 to 5 layers of coating of the textile samples; and (e) Schematic depicting the antioxidant activity process of the functional textile, all in exemplary embodiments of the disclosure.
[0040] FIGURE 12 shows the antimicrobial activity of cotton textiles measured using the disc diffusion test. Zone of inhibition (ZOI) of untreated cotton and treatedcotton samples against (a,b,c) E. coli and (d,e,f) B. subtilis,' and (g) A schematic illustration of the antibacterial assessment technique, all in exemplary embodiments of the disclosure.
[0041] FIGURE 13 shows antibacterial activities against (on the left) E. coli and (on the right) B. subtilis strains with varying incubation durations, (bottom) A schematic illustration of the corresponding antibacterial experiment. All in exemplary embodiments of the disclosure.
[0042] FIGURE 14 shows ZOI of untreated cotton and treated cotton samples against B. subtilis after washing in exemplary embodiments of the disclosure.
[0043] FIGURE 15 shows ZOI of untreated cotton and treated cotton samples against E. coli after washing in exemplary embodiments of the disclosure.
[0044] FIGURE 16 shows a schematic of possible antibacterial mechanisms of QPC nanocomposites in exemplary embodiments of the disclosure.
[0045] FIGURE 17 shows (a) The final snapshot of the simulated coated cotton; (b) Number of contacts between paired components; (c) Established electrostatic and vdW interactions; (c) Maximum number of hydrogen bonds (NHB) formed between the four constituents; and (d) Change in the radius of gyration attributed to the PVA chains over the simulation timeframe. All in exemplary embodiments of the disclosure.DETAILED DESCRIPTIONI, Definitions
[0046] Unless otherwise indicated, the definitions and embodiments described in this and other sections are intended to be applicable to all embodiments and aspects of the present disclosure herein described for which they are suitable as would be understood by a person skilled in the art. It is also to be understood that the terminology used herein is for the purpose of describing particular aspects only and is not intended to be limiting.
[0047] In understanding the scope of the present disclosure, the term “comprising” and its derivatives, as used herein, are intended to be open ended terms that specify the presence of the stated features, elements, components, groups, integers, and / or steps, but do not exclude the presence of other unstated features, elements, components, groups, integers and / or steps. The foregoing also applies to words having similar meanings such asthe terms, “including”, “having” and their derivatives. The term “consisting” and its derivatives, as used herein, are intended to be closed terms that specify the presence of the stated features, elements, components, groups, integers, and / or steps, but exclude the presence of other unstated features, elements, components, groups, integers and / or steps. The term “consisting essentially of’, as used herein, is intended to specify the presence of the stated features, elements, components, groups, integers, and / or steps as well as those that do not materially affect the basic and novel characteristic(s) of features, elements, components, groups, integers, and / or steps.
[0048] Terms of degree such as “substantially”, “about” and “approximately” as used herein mean a reasonable amount of deviation of the modified term such that the end result is not significantly changed. These terms of degree should be construed as including a deviation of at least ±5% of the modified term if this deviation would not negate the meaning of the word it modifies. In addition, all ranges given herein include the end of the ranges and also any intermediate range points, whether explicitly stated or not.
[0049] As used in this disclosure, the singular forms “a”, “an” and “the” include plural references unless the content clearly dictates otherwise.
[0050] In embodiments comprising an “additional” or “second” component, the second component as used herein is chemically different from the other components or first component. A “third” component is different from the other, first, and second components, and further enumerated or “additional” components are similarly different.
[0051] The term “and / or” as used herein means that the listed items are present, or used, individually or in combination. In effect, this term means that “at least one of’ or “one or more” of the listed items is used or present.
[0052] The abbreviation, “e.g.” is derived from the Latin exempli gratia and is used herein to indicate a non-limiting example. Thus, the abbreviation “e.g.” is synonymous with the term “for example.” The word “or” is intended to include “and” unless the context clearly indicates otherwise.
[0053] It will be understood that any component defined herein as being included may be explicitly excluded by way of proviso or negative limitation, such asany specific compounds or method steps, whether implicitly or explicitly defined herein.
[0054] The term “the nanocomposite textile coating composition of the application” and variations thereof, refers to a nanocomposite textile coating composition as defined in the disclosure. The term “QPC” also refers to “the nanocomposite textile coating composition of the application” as defined in the disclosure.
[0055] The term “the method of making a coating of the application” and variations thereof refers to a method of making a nanocomposite textile coating composition as defined in the disclosure.
[0056] The term “the method of making a textile coated with the nanocomposite coating of the application” and variations thereof refers to a method of making a textile coated with the nanocomposite textile coating composition as defined in the disclosure.
[0057] II, Compositions and Methods of the Disclosure
[0058] The present disclosure includes a nanocomposite textile coating composition comprising: a plurality of silicene carbon quantum dots (SiCQDs) comprising polyethylene (PEI) and silicene; a polymer matrix; and an antibacterial agent; wherein the SiCQDs and the antibacterial agent are dispersed in the polymer matrix, and wherein the composition has antibacterial and antioxidant properties.
[0059] In some embodiments, the PEI has an average Mw of about 10,000 Da to about 30,000 Da. In some embodiments, the PEI has an average Mw of about 13,000 Da to about 25,000 Da. In some embodiments, the PEI is linear or branched. In some embodiments, the PEI is branched and has an average Mw of about 25,000 Da.
[0060] In some embodiments, the polymer matrix comprises water-soluble or hydrophilic polymers including but is not limited to polyvinylpyrrolidone, polyethyleneglycol, hydroxypropyl methylcellulose, carboxymethyl cellulose, polyvinyl alcohol or combinations thereof.
[0061] In some embodiments, the polymer in the polymer matrix is polyvinyl alcohol (PVA). In some embodiments, the PVA has an average Mw of about 75,000 Da to about 130,000 Da. In some embodiments, the PVA has an average Mw of about 85,000 Da to about 124,000 Da, optionally 99+% hydrolyzed.
[0062] In some embodiments, the antibacterial agent is present in the nanocomposite textile coating composition in an amount of about 0.05 g / ml to about 0.2 g / ml, or about 0.036 g / ml to about 0.114 g / ml based on the total weight of the composition.
[0063] In some embodiments, the antibacterial agent is selected from quaternary ammonium compounds, curcumin and thymol. In some embodiments, the antibacterial agent is thymol. In some embodiments, the antibacterial agent comprises a combination of one or more antibacterial agents.
[0064] In some embodiments, the plurality of SiCQDs is present in the nanocomposite textile coating composition in an amount of about 0.1 wt% to about 10 wt%, or about 0.3 wt% to about 7 wt% based on the total weight of the composition.
[0065] In some embodiments, the average diameter of the SiCQDs is under 10 nm. In some embodiments, the average diameter of the SiCQDs is about 2 nm to about 5 nm, or about 3.4 nm.
[0066] In some embodiments, the weight ratio of PEI to silicene in the SiCQDs is about 1:0.05 to about 1:0.125.
[0067] The term “dispersed” as used herein means to be distributed or spread throughout. The dispersion is one achieved by mixing one or more ingredients (for example SiCODs and antibacterial agent) with other ingredients (e.g. polymer) using for example mechanical mixing.
[0068] The present disclosure includes a textile coated with a nanocomposite textile coating composition of the application.
[0069] In some embodiments, the textile is coated with the nanocomposite textile coating composition of the application in one or more coating cycles. In someembodiments, the textile is coated with the nanocomposite textile coating composition of the application in one, two, three, four or five coating cycles. In some embodiments, the textile is coated with the nanocomposite textile coating composition of the application in at least three coating cycles. In some embodiments, the textile is coated with the nanocomposite textile coating composition of the application in five coating cycles.
[0070] In some embodiments, the textile is selected from nylon, polyester, polypropylene, acrylic, cotton, linen, wool, and silk. In some embodiments, the textile is cellulose-based textile. In some embodiments, the textile is cotton.
[0071] In some embodiments, the textile exhibits one or more of UV blocking, inhibition of bacterial growth and reduction or elimination of free radicals.
[0072] In some embodiments, the inhibition of bacterial growth comprises inhibition of gram-negative bacteria.
[0073] In some embodiments, the gram-negative bacteria is E. coli.
[0074] In some embodiments, the inhibition of bacterial growth comprises inhibition of gram-positive bacteria.
[0075] In some embodiments, the gram-positive bacteria is B. subtilis.
[0076] The present disclosure includes a method of making a nanocomposite textile coating composition comprising: subjecting an aqueous solution of silicene and polyethylenimine (PEI) to a hydrothermal reaction to obtain a SiCQD suspension; separating the SiCQD’s from the suspension and drying the SiCQD to obtain a plurality of SiCQDs; mixing a polymer and an antibacterial agent to obtain a polymer matrix / antibacterial agent mixture; and adding the plurality of SiCQDs to the polymer matrix / antibacterial agent mixture to obtain the nanocomposite coating composition.
[0077] In some embodiments, the PEI has an average Mw of about 10,000 Da to about 30,000 Da. In some embodiments, the PEI has an average Mw of about 13,000Da to about 25,000 Da. In some embodiments, the PEI is linear or branched. In some embodiments, the PEI is branched and has an average Mw of about 25,000 Da.
[0078] In some embodiments, the silicene is present in the aqueous solution in an amount of about 0.01 % w / v to about 12.5% w / v.
[0079] In some embodiments, the PEI is present in the aqueous solution in an amount of about 1 % w / v to about 10 % w / v.
[0080] In some embodiments, the hydrothermal reaction is carried out under a temperature of from about 120 °C to about 200 °C. In some embodiments, the hydrothermal reaction is carried out under a temperature of about 130 °C.
[0081] In some embodiments, the hydrothermal reaction is carried out for about 18 hours to about 27 hours. In some embodiments, the hydrothermal reaction is carried out for about 21 hours.
[0082] In some embodiments, the SiCQD suspension obtained in the hydrothermal reaction is cooled to a room temperature.
[0083] In some embodiments, the separating the SiCQD’s from the SiCQD suspension is carried out by centrifuge under suitable conditions, for example at 10,000 rpm for 25 minutes. In some embodiments, the SiCQD’s are further fdtrated, for example by using a micropore fdm fdter with a pore size of 0.22 pm, or any other suitable pore size.
[0084] In some embodiments, the drying the SiCQD suspension to obtain a plurality of SiCQDs is carried out by using a vacuum. In some embodiments, the plurality of SiCQDs IS in the form of a powder.
[0085] In some embodiments, the average diameter of the SiCQDs is under 10 nm. In some embodiments, the average diameter of the SiCQDs is about 2 nm to about 5 nm, or about 3.4 nm.
[0086] In some embodiments, the weight ratio of the silicene to the PEI in the SiCQDs is about 1:0.05 to about 1:0.125.
[0087] In some embodiments, the polymer is mixed with antibacterial agent as an aqueous solution.
[0088] In some embodiments, the polymer is present in the aqueous solution at a concentration of about 2% (w / v) to about 8% (w / v), based on the total volume of the aqueous solution.
[0089] In some embodiments, the antibacterial agent is mixed with polymer matrix as an ethanolic solution.
[0090] In some embodiments, the antibacterial agent is present in the ethanolic solution at a concentration of about 0.05 g / ml to about 0.40 g / ml, or about 0.08 g / ml to about 0.25 g / ml based on the total volume of the ethanolic solution.
[0091] In some embodiments, the plurality of SiCQDs is added to the polymer / antibacterial agent mixture in an amount of about 0.1 wt% to about 10 wt%, or about 0.3 wt% to about 7 wt% based on the total weight of the nanocomposite coating composition.
[0092] In some embodiments, following the addition of the SiCQDs to the polymer / antibacterial agent mixture, the mixture is homogenized under suitable conditions, for example for 1 hour at room temperature.
[0093] In some embodiments, the polymer comprises water-soluble or hydrophilic polymers including but is not limited to polyvinylpyrrolidone, polyethylene glycol, hydroxypropyl methylcellulose, carboxymethyl cellulose, polyvinyl alcohol or combinations thereof.
[0094] In some embodiments, the polymer is polyvinyl alcohol (PVA).
[0095] In some embodiments, the PVA has an average Mw of about 75,000 Da to about 130,000 Da. In some embodiments, the PVA has an average Mw of about 85,000 Da to about 124,000 Da, optionally 99+% hydrolyzed.
[0096] In some embodiments, the antibacterial agent is selected from quaternary ammonium compounds, curcumin and thymol. In some embodiments, the antibacterial agent is thymol.
[0097] The present disclosure includes a nanocomposite textile coating composition produced by the method of making a coating of the application, wherein the composition has antibacterial and antioxidant properties.
[0098] The present disclosure includes a method of making a textile coated with the nanocomposite coating comprising applying the nanocomposite composition of the application or as prepared in the method of making a coating of the application, onto the textile.
[0099] In some embodiments, the method further comprises activating the textile prior to applying the nanocomposite composition onto the textile to form an activated textile.
[0100] In some embodiments, the activating the textile comprises treating the textile with a sodium hydroxide solution. In some embodiments, the concentration fo the sodium hydroxide solution is 0.25M. In some embodiments, the activating the textile comprises treating the textile with a sodium hydroxide solution for about 90 min at about 80 °C.
[0101] In some embodiments, following the treatment with sodium hydroxide, the textile is rinsed with water. In some embodiments, the method further comprises treating the textile with KMnO4 solution. In some embodiments, the concentration of the KMnO4 solution is 0.25M.
[0102] In some embodiments, the method further comprises treating the textile with HC1 solution. In some embodiments, the concentration of the HC1 solution is 0. IM.
[0103] In some embodiments, prior to the application of the nanocomposite composition of the application, the textile is dried, for example by using a hot aircirculating oven at about 60 °C.
[0104] In some embodiments, the nanocomposite composition is applied onto the activated textile in one or more coating cycles. In some embodiments, the textile is coated with the nanocomposite textile coating composition of the application in one, two, three, four or five coating cycles. In some embodiments, the nanocomposite composition is applied onto the activated textile in least three coating cycles. In some embodiments, the nanocomposite composition is applied onto the activated textile in five coating cycles.
[0105] In some embodiments, each coating cycle has a duration of about 1 minute to about 5 minutes.
[0106] In some embodiments, the textile is selected from nylon, polyester, polypropylene, acrylic, cotton, linen, wool, and silk. In some embodiments, the textile is cellulose-based textile. In some embodiments, the textile is cotton.
[0107] In some embodiments, the applying the nanocomposite composition of the application comprises dipping the textile in the nanocomposite composition and drying using a hot air dryer at a temperature of about 70°C to about 80°C.
[0108] In some embodiments, the method further comprises treating the textile coated with the nanocomposite composition of the application with a hydrophobic coating. In some embodiments the hydrophobic coating is a silane-based hydrophobic coating, such as an alkyl silane, for example a long-chain alkyl silane. In some embodiments, the hydrophobic coating is applied by submerging the textile to which the nanocomposite composition of the application has been applied in a solution comprising a silane modifying compound, such as hexadecyltrimethoxysilane (HDTMS) in a suitable solvent such as ethanol, for any suitable time, such as about 1 minute to about 20 minutes, or about 5 minutes, at about room temperature (about 20°C to about 25°C). In some embodiments the silane solution comprises about 1 wt% to about 10 wt%, about 2 wt% to about 5 wt%, or about 3 wt% of the silane compound. After application of the silane modifying compound, the textile is dried at elevated temperatures (e.g. about 70°C to about 90°C, or about 80°C) and cured at e.g. about 120°C to about 140°C, or about 130°C. In some embodiments, the hydrophobic coating enhances the hydrophobicity of the textile. In some embodiments, the solution comprising a silane modifying compound further comprises an antibacterial agent, such as thymol.
[0109] The present disclosure includes a textile coated with the nanocomposite composition produced by the method of making a textile coated with the nanocomposite coating as defined above.
[0110] In some embodiments, the textile is selected from nylon, polyester, polypropylene, acrylic, cotton, linen, wool, and silk. In some embodiments, the textile is cellulose-based textile. In some embodiments, the textile is cotton.
[0111] In some embodiments, the textile exhibits one or more of UV blocking, inhibition of bacterial growth and reduction or elimination of free radicals.
[0112] In some embodiments, the inhibition of bacterial growth comprises inhibition of gram-negative bacteria.
[0113] In some embodiments, the gram-negative bacteria is E. coli.
[0114] In some embodiments, the inhibition of bacterial growth comprises inhibition of gram-positive bacteria.
[0115] In some embodiments, the gram-positive bacteria is B. subtilis.
[0116] The present disclosure includes a textile product comprising the textile coated with the nanocomposite textile coating composition of the application or a textile product comprising the textile coated with the nanocomposite composition produced by the method of making a textile coated with the nanocomposite coating of the application, wherein the nanocomposite composition is produced by the method defined above.
[0117] In some embodiments, the product is selected a mattress, bed sheet, bed linen, pillow, pillowcase, blanket, comforter, duvet, duvet cover, quilt, sofa, sofa slipcover, curtain, towel, mat, clothing, feminine hygiene product, uniform, tactical gear, seat covers, upholstery, lab coat, hospital gown, hospital scrub, medical mask, gauze, gauze pad, wound covering, trans-dermal patch, and bandage.
[0118] The present disclosure also includes the following embodiments:
[0119] 1. An antibacterial and antioxidant textile, comprising: a textile; and an antibacterial and antioxidant element coated on the textile.
[0120] 2. The antibacterial and antioxidant textile of embodiment 1, wherein the textile comprises one or more materials selected from the group consisting of nylon, polyester, polypropylene, acrylic, cotton, linen, wool, and silk.
[0121] 3. The antibacterial and antioxidant textile of embodiment 1, wherein the antibacterial and antioxidant element comprises silicene-based carbon dots (SiCQDs), polyvinyl alcohol (PVA), and thymol.
[0122] 4. A method of making the antibacterial and antioxidant textile according to embodiments 1-3, comprising:preparing SiCQDs with a hydrothermal reaction using silicene, deionized water, and polyethylenimine (PEI); selecting the SiCQDs having a desired particle size; preparing a SiCQDs / polymer nanocomposite solution by mixing SiCQDs, PVA aqueous solution, and thymol ethanolic solution; activating a textile with a sodium hydroxide solution and a potassium permanganate solution; and dipping the activated textile into the SiCQDs / polymer nanocomposite solution for one or more coating cycles to obtain the antibacterial and antioxidant textile.
[0123] 5. The method of embodiment 4, wherein the hydrothermal reaction has a reaction temperature that ranges from about 120 °C to about 200 °C.
[0124] 6. The method of embodiment 4, wherein the hydrothermal reaction has a reaction time that ranges from about 18 hours to about 27 hours.
[0125] 7. The method of embodiment 4, wherein the desired particle size ofSiCQDs is the particle diameter under 10 nm.
[0126] 8. The method of embodiment 4, wherein the PVA aqueous solution has a concentration of PVA that ranges from about 2% (w / v) to about 8% (w / v).
[0127] 9. The method of embodiment 4, wherein the thymol ethanolic solution has a concentration of thymol that ranges from about 0.08 g / mL to about 0.25 g / mL.
[0128] 10. The method of embodiment 4, wherein the coating cycle has a duration that ranges from about 1 minute to about 5 minutes.
[0129] 11. Use of any one of embodiments 1-10 for antibacterial or antioxidant purpose of a textile product comprising a product selected from the group consisting of mattress, bed sheet, bed linen, pillow, pillowcase, blanket, comforter, duvet, duvet cover, quilt, sofa, sofa slipcover, curtain, towel, mat, clothing, feminine hygiene product, uniform, tactical gear, seat covers, upholstery, lab coat, hospital gown, hospital scrub, medical mask, gauze, gauze pad, wound covering, trans-dermal patch, and bandage.EXAMPLES
[0130] The following non-limiting examples are illustrative of the present disclosure:
[0131] Methods
[0132] Synthesis of Silicene based QDs (SiCQDs): The SiQDs were synthesized via facile single-step hydrothermal technique. In brief, 0.05 gm of silicene was initially added to 40 ml of deionized water, and the resultant mixture was ultrasonically treated for 1 h. Next, 0.04 g of branched PEI (average Mw about 25,000 Da) was added to the mixture and stirred for 1 h. The resulting mixture was then moved to a poly(tetrafluoroethylene)-lined autoclave and heated to 130 °C for 21 h. After cooling to room temperature (about 25 °C), a dark suspension was obtained. The solution was centrifuged at 10,000 rpm for 25 minutes. Afterward, the larger particles were eliminated by passing the solution through a micropore film filter with a pore size of 0.22 pm. Finally, the solution was dialyzed and further dried in a vacuum and kept at 4 °C for further analysis.
[0133] Functional Coating Material synthesis: The SiQDs / polymer nanocomposite composition was prepared by a wet blending process. 3 mL of 5% PVA (Mw 85000-124000, 99+% hydrolyzed) aqueous solution was mixed with 2.5 mL of thymol ethanolic solution (0. 16g / mL). The mixture was sonicated and stirred thoroughly to ensure homogenous mixing. A definite quantity of SiQDs was added to the mixed dispersion and homogenized for another 1 h at ambient conditions. The nanocomposite was then preserved for use in coating cotton textiles.
[0134] Surface Treatment of Cotton Textile: A cotton cloth with a cardigan stitch pattern was acquired for use as the coating substrate. Before the coating process, the cotton fabric was subjected to an activation procedure for about 90 min in a 0.25 M NaOH solution at 80 °C. After the desizing process, the cotton underwent rinsing with water and was subsequently treated with a 0.25 M solution of KMnCL. Following that, a 0. 1 M HC1 solution was used for neutralization. Prior to the application of the coating treatment, the fabric was dried in a hot air-circulating oven at 60 °C.
[0135] Production of the Functional Cotton Fabric: The cotton specimens were immersed in the nanocomposite solution (QPC) and carried out for multiple coatingcycles. The samples for the coating cycles 1, 3, and 5 were labeled as C2, C4, and C5, correspondingly. The coated cotton was attached to a stainless steel bowed neck tip holder and positioned within an air circulation apparatus. The holder's direction was altered periodically to maintain uniform coating on the textile. The uncoated cotton fabric was designated as CO.
[0136] Characterizations: PHI Quanterall Scanning XPS Microprobe was used for the characterization of surface elemental S2, through X-ray Photoelectron Spectroscopy (XPS) measurements. A spectrophotometer (Synergy Hl, BioTek, USA) was used to take UV vis-absorbance and fluorescence spectra of the CDs. The attenuated total reflectance (ATR) technique was utilized to obtain a Fourier Transform Infrared (FTIR) spectrum in the range of 375-4000 cm1using the Bruker Vertex 70. The Dynamic Light scattering instrument (Zetasizer NZ), Malvern Panalytical Ltd, UK was used to report the Zeta Potential.
[0137] Antioxidant Activity: 500 mg samples of pure and treated cotton were submerged in 30 mL of 0.15 mM DPPH / methanol solution. The samples were next incubated at room temperature in the absence of light, followed by the use of a UV-vis spectrophotometer to measure the absorbance at 517 nm. The following equation was used to determine the DPPH scavenging activity:
[0138] % DPPH scavenging activity = (Ac - As) / Ac
[0139] In which Ac and As were recorded as the absorbance of the control and sample respectively.
[0140] An ABTS radical cation decolorization experimentation was also carried out to study the antioxidant behavior of the cotton fabric. A solution of potassium persulfate was combined with the ABTS solution and placed in storage for 16 hours in the dark. Subsequently, the solution was diluted to its initial absorbance of 0.7 + / - 0.05 at 734 nm2. After dilution, the samples were exposed to the aforementioned solution, and the absorption was recorded. The antioxidant activity was determined using the following equation:
[0141] % Scavenging Activity = (Ac - As) / Ac
[0142] In which Ac and As were recorded as the absorbance of the control and sample respectively.
[0143] Antibacterial activity of the nanocomposite: A dilution was performed on the log phase bacteria using LB to reach a concentration of 6 log CFU mL'1. Bacterial concentrations of 0. 12, 0.25, 0.5, 1, 2, 4, and 8mg / mL were achieved through the addition of lOOuL of diluted bacteria, and samples dissolved in lOOuL of LB, to a 96 well microtiter plate. The positive controls were denoted as wells containing only the diluted bacteria, whereas the negative controls were denoted as the wells containing only the medium. Following an incubation period of 24h at 37°C, the MIC was reported as the concentration of wells that did not demonstrate any visible growth of the bacteria. The MBC value was calculated by aliquoting bacterial suspensions without visible growth after 24h on agar plates. Following another 24h incubation at 37°C, the MBC was reported as the plate containing the lowest concentration where colony forming units were absent. Subsequently, the samples’ antibacterial activity was observed at varying time intervals. TCC nanocomposite was used to treat the E. coli and B. subtilis cells separately and having them incubated at 37°C, in shaking conditions for differing intervals (30m-24h). After the incubation, lOOuL of the culture was used to cover the nutrient agar plate and incubated again at 37°C for 24 h, this time under static conditions.
[0144] Antibacterial Activity: To examine the antibacterial activity of the cotton against B. subtilis and E. coli, a disc diffusion method was utilized1151. The textile samples were cut into square shapes and then sterilized. They were subsequently positioned carefully on an agar plate containing a bacterial suspension of 106CFU / mL. After 24-hour incubation at 37°C, the diameter of the bacteria-free inhibitory zone surrounding the sample was measured.
[0145] Atomistic Modeling: All-atom MD simulations were carried out using the GROMACS v.2024.2 open-source software package1161. The optimized potentials for liquid simulations-all atom (OPLS-AA) force field was adopted to replicate the molecular behavior of the organic molecules present in the system as faithfully as possible1171. The rationale behind selecting the OPLS-AA force field lies in its established viability for parameterizing cellulosic fibers, CQDs, PVA chains, and the thymol compound1181. The cotton fabric was modeled as 1 crystalline cellulose, which is commonly found in nature and characterized by a P2i space group with lattice parameters a = 7.784 A, b = 8.201 A, c = 10.38 A, a = 0 = 90°, and y = 96.5O
[0019] . Using the Cellulose Builder toolkit, the cellobiose unit cell was extended to a supercell surface along the x and y directions,resulting in a 64x72 A2surface area as a trade-off between computational cost and accuracy1201. Notably, (010) Miller plane was opted due to providing ample number of surface-exposed -OH groups, aligning with the mercerization process employed in the experimental phase to enhance fabric polarity1211. Given that XPS analysis revealed a predominance of carbon and oxygen atoms over silicene in the as-synthesized CQDs (Figure le) and the absence of MD studies on SiCQDs, a functionalized carbon dot was designed via the VMD QD Generator as an apt representation of the experiments1221. In theory, circular graphene sheets with varying sizes were stacked along the z direction to form carbon nanospheres with a 10.5 A radius of gyration. The resultant CQD was then functionalized with -OH and -COOH groups at surface terminals, culminating in the overall 40% surface functionalization. This model was optimized for the OPLS-AA force field by refining non-bonded Lennard-Jones parameters based on adjustments for carbon atoms, as proposed by Cheng and Steele
[0023] . The PVA molecular chains, on the other hand, were modeled through CHARMM-GUI platform, with polymerization and alcoholysis degrees of 40 and 100, respectively1241. Partial charges for smaller constructed units were computed using density functional theory (DFT) calculations at the B3LYP / 6- 31G* level, while bonded (i.e., bond, angle, dihedral, and improper dihedral) and nonbonded Lennard-Jones (6-12) parameters were generated using the MKTOP Perl script
[0025]
[0146] To simulate the "dip and dry" process, the cellulosic fabric was placed at the bottom of a cuboid simulation box, with the coating materials positioned at least 3 nm above the fabric surface. The CQD was centrally placed within the box, surrounded by PVA and thymol at a molar ratio of 1:3, with a minimum separation of 2 nm between nanocomposite components to prevent any premature interactions. Periodic boundary conditions were applied to simulate an infinite fabric surface, serving as the active absorption site. Following solvation in the TIP3P water model
[0026] , the whole system was relaxed in terms of energy using the gradient descent algorithm. This was followed by a 0.25 ns NVT equilibration and a 10 ns NPT equilibration, bringing the system to the experimental temperature (298 K) and pressure (1 bar) using the V-rescale thermostat and C-rescale barostat, respectively1271. With a time step of 2 fs and employing the leapfrog algorithm to integrate Newtonian equations of motion, the production run was carried out in an NPT ensemble for 86 ns, where the fabric remained fixed while the nanocomposite components were free to move. A cutoff distance of 1.2 nm was appliedfor short-range van der Waals (vdW) and electrostatic (ES) interactions, while the particle-mesh Ewald algorithm was employed to compute long-range electrostatic interactions
[0028] . All hydrogen-containing bonds were constrained using the LINCS method1291, and the final trajectory snapshot was visualized using VMD software1301.
[0147] Results and Discussion
[0148] Characterizations of Silicene based QDs (SiCQDs): In this present work, a straightforward hydrothermal method utilizing b-PEI and silicene for the synthesis of SiCQDs was employed as shown in Figure 2.
[0149] The UV / Vis absorption spectra of SiCQDs (Figure la) show a broad absorption peak at 361 nm. This peak can be attributed to the n^7i* transitions of the C=O and C=N bonds
[0031] . The aqueous solution of the synthesized SiCQDs appears pale yellow under visible light and is stable at room temperature. It displays a vibrant blue fluorescence under UV light (365 nm), as illustrated in the inset of Figure la. The fluorescence emission of the SiCQDs was analyzed using various excitation wavelengths (Figure lb). As the excitation wavelength increased from 300 to 420 nm, there was a noticeable red shift in the emission peak. The observed phenomenon can be attributed to the different sizes of the SiQDs and the presence of multiple surface states caused by the various functionalities on their surface1321. At 340 nm excitation, the emission intensity reached its maximum value at 459 nm. Figure 1c demonstrates the fluorescence of the SiCQDs over different times. The fluorescence intensity of SiCQDs remains stable, even after being stored at 4 °C for 30 days. The fluorescence intensity remains consistent throughout the given period, indicating the excellent stability of these CDs. For long-term storage, the SiCQDs solution can be dried in a vacuum oven to yield a powder. This powder can be redispersed in water for future use.
[0150] FTIR analysis was conducted to gain a better understanding of the surface functionalities existing on the SiCQDs (Figure Id). The broad peak in the range of 3027- 3618 cm’1suggests the presence of amine and hydroxyl functional groups. The absorption bands observed at 2947 and 2815 cm1were attributed to the asymmetric and symmetric stretching vibrations of -CH bonds, respectively1331. The observed peaks at 1585 and 1450 cm1are assigned to the stretching vibrations of C=O, and C-N bonds, respectively1341. The FT-IR spectrum of SiCQDs shows the presence of vibration bands observed at 446, 823, 1041, 1642, and 2164 cm '. which correspond to the vibrationsraised from the v(Si-Si), v(Si-H), v(Si-O-Si), v(Si-OH), and v(OSi2=Si-H), respectively1351. X-ray photoelectron spectroscopy (XPS) was used to analyze the chemical composition of the synthesized SiCQDs. The XPS scans (Figure le) of synthesized SiCQDs reveal the presence of four distinct elements: silicene (Si), carbon (C), nitrogen (N), and oxygen (O). The high-resolution XPS spectra of Cis, Nls, Ols, and Si2p elements are presented in Figure If-i, respectively. The XPS study of the Cis spectra (Figure If) indicated four peaks at 284.7, 285.6, 286.5, and 287.9 eV, which correspond to C=C (sp2) / C-C (sp3), C-N / C=N, C-0, and C=0, respectively[33, 36]. As depicted in Figure 1g, the high-resolution Nls spectrum shows two distinct binding energy peaks at 399.2 and 400.1 eV. These peaks can be ascribed to the presence of C- N / N-(C)s and N-H groups, respectively, on the surface of CDs
[0037] . The XPS Ols spectrum (Figure Ih) can be deconvoluted into three separate binding energy peaks at 531.3, 532.5 and 535.7 eV, which correspond to the C=O, C-OH / C-O-C, and H-O-H functional groups, respectively1381. The high resolution Si2p spectrum (Figure li) shows two peaks at 102.3 and 103.3 eV which corresponds to O-Si-C and Si-0 bonds, respectively1391. The XPS results confirmed the presence of C, N, O, and Si in the synthesized SiCQDs. This finding is further supported by the examination of FTIR spectroscopy and HRTEM with EDX elemental mapping. Based on these findings, it is evident that the surface of SiCQDs contains polar functional groups. These functional groups enhance the water compatibility and stability of CQDs in aqueous solutions. Additionally, they can interact with specific targets, expanding the range of applications for CQDs. TEM analysis is an efficient tool for understanding the structure and morphology of nanoparticles. Figure lj,k shows the TEM image of SiCQDs, demonstrating that they were well dispersed and quasi-spherical, with an average particle size of 3.4 nm. Figure 3 displays the results of the high angle annular dark field scanning transmission electron microscopy (HAADF- STEM) and the corresponding elemental mapping of the SiCQDs. The HAADF-STEM elemental mapping confirmed that the synthesized SiCQDs consist of the elements N, O, and Si.
[0151] Antioxidant activity of SiCQDs: Antioxidants possess the ability to scavenge or neutralize free radicals. The DPPH assay is a well-established and efficient method for evaluating the free radical scavenging property. The presence of free radicals on nitrogen caused the DPPH to appear purple. The purple color of the DPPH solution is transformed to a yellow non-radical form of the DPPH-H complex in the presence ofhydrogen-donating antioxidants
[0040] . The ability of CQDs to donate hydrogen is attributed to the presence of surface functionalities such as carboxyl (COOH), hydroxyl (OH), and amino (NH2) groups. This causes an intensity decrease at 517 nm, which was observed after 30 min of incubation. As shown in Figure 4a, the DPPH free radical activity increases as the SiCQD concentration gradually increases. The SiCQDs show an increasing trend in free radical activity, ranging from 10 to 77%. As the concentration increased, the color transformed from purple to a pale yellow colour (Figure 4b). The half-maximal effective concentration, EC50 for SiCQDs to demonstrate free radical scavenging activity is 153.8 pg / mL. The concentration-dependent ABTS»+ scavenging activities of SiCQDs were observed (Figure 4c), as indicated by the color transition from greenish-blue to colourless (Figure 4d). The ABTS»+ scavenging activity was found to increase as the concentration of SiCQDs was gradually increased until 125 pg / mL. Additional SiCQDs had minimal impact on antioxidant activity, ultimately achieving a saturation threshold at around 250 pg / mL. The results indicate that SiCQDs have a dosedependent scavenging action. The EC50 value was determined to be 35.1 pg / mL. The enhanced antioxidant activity observed in the ABTS method can be ascribed to the hydrophilicity and effective dispersion of SiCQDs in an aqueous condition. This finding aligns with the results indicating a reduced capacity to neutralize free radicals detected by the DPPH approach. The reduced interaction between SiCQDs and DPPH free radicals in a methanol-based solution leads to the lowered antioxidant activity noted in the DPPH method
[0041] .
[0152] Both the surface O and N-containing moi eties are considered to play a critical role in the scavenging of reactive oxygen species (ROS)
[0042] . It has been found that the presence of electron-donating doped sites and sp2carbon domains is closely linked to the primary radical scavenging sites. These sites are useful for neutralizing free radicals by generating adducts and promoting spin delocalization along the conjugated carbon backbone142'431. Dopants improve the radical scavenging action by donating e- to radicals, which is subsequently followed by either proton transfer or the formation of an adduct
[0044] . In fact, the scavenging activity of SiCQDs in relation to ROS scavenging can potentially be attributed to the H-donor characteristics exhibited by the functional groups present at the edge-sites, such as OH, COOH, and NH2. This behaviour is likely facilitated by the presence of free electron delocalization and stabilization within the sp2-hybridized carbonnetwork. Figure 4e demonstrates the mechanism of the radical scavenging process involving SiCQDs
[0043] .
[0153] Characterizations of functional cotton fabric: The coating process was performed in a sequential "dip and dry" approach. Initially, the fabric was surface- activated using a mercerization method to increase its polarity. Following mercerization, the activated fabric was dipped in a coating solution containing QPC nanocomposite. Following soaking, the cotton was dried in a hot air dryer at 70-80 °C temperatures until completely dry. Figure 5 shows a schematic depiction of the approach used to prepare the functional textile samples.
[0154] FTIR and XPS analysis were conducted on untreated and coated cotton fibers. Figure 6a displays the FTIR spectra of the cotton fabric before and after coating. The untreated cotton exhibits typical bands commonly observed in pure cellulose. The characteristic absorption peaks of pristine cotton are detected at 3330, 2902, 1637 cm1which can be attributed to the stretching vibrations of O-H bonds, C-H bonds, and C=O bonds, respectively
[0045] . The absorption bands within the range of 900 and 1500 cm1indicate the unique vibrations of the C-H, O-H, C-O, and C-O-C bonds in cotton cellulose
[0046] . The absorption bands located at 894 and 1162 cm1correspond to the stretching vibrations of the [3-d-glucoside linkage[46b]. The FTIR spectra of the composite textile show a broadening of the peak at 3284 cm ’. indicating the presence of hydrogen bonding between the -OH groups of the SiCQDs and / or PVA and the cellulose building blocks of cotton. There were two distinct stretching vibrations detected at 2813 and 2942 cm ’, which are associated with the C-H bonds in -CH3 and -CH2 groups, respectively1471. The C-N derivatives exhibit characteristic peaks within the range of 1300-1574 cm ', providing strong evidence for the presence of the nanocomposite coating on the cotton fabric
[0048] .
[0155] The XPS analysis was conducted to examine the surface characteristics of the cotton fabric both before and after the coating process (Figure 6b). The XPS analysis of untreated cotton fabric shows distinct peaks corresponding to C and O at 283.9 and 530.1 eV, respectively. The existence of the N and Si peaks, along with the C and O peaks, provides evidence of the successful fabrication of the composite textile. It is evident that SiCQDs are the source of both the N and Si peaks. The high resolution Cis spectrum (Figure 6c) of cotton reveals three peaks at 284.6, 286.4, and 287.9 whichcorresponds to C=C / C-C, C-O, and C=O, respectively. The Cis spectra of coated cotton (Figure 6e), on the other hand, changes, with peaks at 284.4 eV (C=C / C-C), 285.7 eV (C- N / C=N), and 287.3 eV (C=O), suggesting the formation of new C-N / C=N bonds. Figure 6d shows the Ols spectra of the uncoated cotton. The 01s spectra (Figure 6f) of the coated cotton exhibits anew peak at 531.2 eV, indicating the presence of C=0 bonds, in addition to the existing peak at 532.6 eV for C-OH / C-O-C groups. Moreover, the Nls spectrum (Figure 6g) of the coated cotton exhibits distinct peaks at 399.1 eV and 400.2 eV, which can be attributed to the presence of C-N and C=N bonds, respectively. These findings provide strong evidence for the successful incorporation of nitrogen into the cotton coating. The Si2p spectrum (Figure 7h) exhibits two distinct peaks at 101.7 eV and 102.5 eV, which can be attributed to the presence of O-Si-C and Si-0 bonds, respectively. The observed spectral changes provide evidence of the effective modification of the cotton surface, resulting in improved functional properties for various applications.
[0156] SEM images of untreated and coated cotton fabrics offer precise observations of the surface morphology and the impact of the coating procedure. Figure 7 displays SEM images illustrating the evolution of the fabric structure as the number of coating cycles increases. The SEM pictures of the uncoated cotton fabric shown in Figure 7(a-c) exhibit the characteristic fibrous architecture of cotton. The fibers are sparsely arranged and have a sleek surface texture, with distinct individual strands interwoven in a porous network. After applying a single coating cycle (Cl), as depicted in Figure 7(d- f), the cotton fibers undergo compaction and exhibit the existence of a thin coating layer. This coating has a minor smoothing effect on the surfaces of the fibers and also fills some of the spaces between the fibers. This effect becomes more noticeable when seen at higher magnifications (Figure 7e and f). By applying three coating cycles (C3), as shown in Figure (7g-i), the coating layer becomes more apparent and has a substantial impact on the fabric's shape. The fibers are also encased by the PVA, leading to a more uninterrupted and consistent coating layer. The inter-fiber gaps are further diminished, and the fibers exhibit a stronger link, as evidenced by the higher magnification photos (Figure 7h and i). This signifies a significant augmentation in the thickness and extent of the coating. For C5, as depicted in Figure (7j-l), clearly demonstrate a significant alteration. The fibers are nearly entirely enveloped in the PVA coating, creating a substantial, even, and uninterrupted covering. When observed at a lower magnification(Figure 7j), the coated cloth exhibits a significantly more compact and impermeable structure compared to the preceding samples. At higher magnifications (Figure 7k and 1), the coating is seen to have substantial coverage and a uniform appearance, with minimal visibility of the fiber structure underlying. The surface has a film-like quality, suggesting that the repeated application of coatings has successfully formed a strong protective layer on the cotton fibers.
[0157] Mechano-physical properties: The stress-strain plot as shown in Figure 8(a) allows for a comparative assessment of the mechanical characteristics of uncoated cotton fabric and cotton fabrics with different numbers of coating cycles (1, 3, and 5 coatings). The fabric without any coating exhibits a tensile strength of ~26 MPa when subjected to a strain of -10%. This serves as a control for the fundamental mechanical properties of the cotton fabric before any modifications are made. Upon undergoing a single coating cycle (Cl), the fabric has a marginal enhancement in both tensile strength and strain at break, suggesting an early amelioration in mechanical characteristics. The tensile strength rises to roughly 27 MPa, accompanied by a matching strain of around 10.5%. The improvement can be ascribed to the application of a coating, which adds an extra layer that improves the cohesion of the fibers and the distribution of applied stress. However, it should be noted that the enhancement is small when only one coating cycle is used. The fabric demonstrates a more pronounced improvement in mechanical characteristics after undergoing 3 coating cycles. The tensile strength increases to 28.6 MPa, while the strain at break climbs to -11%. This implies that the extra layers of coating enhance the durability and consistency of the coverage, resulting in improved distribution of stress and heightened resistance to deformation. The augmented thickness of the coating is likely to strengthen the connection between fibers and provide a protection layer that raises the overall structural strength of the fabric. The greatest significant enhancement is obtained after applying five coating cycles, resulting in a tensile strength of 30.1 MPa at a strain of around 10.8% (Figure 8b). This huge improvement demonstrates that applying numerous layers of coating efficiently strengthens the fabric, resulting in greatly increased durability and resilience when subjected to tensile stress. The presence of many layers of coating in the fabric likely results in a composite structure that is capable of effectively absorbing and distributing applied forces. This reduces the chances of fiber breakage and improves the fabric's ability to handle heavy loads. The gradual enhancement in the ability of the cotton fabricto withstand stretching and the point, at which it breaks, as more coating cycles are applied, clearly indicates the effectiveness of the coating process in strengthening the fabric. The coatings enhance the mechanical qualities of the fabric by improving interfiber bonding and stress distribution. Additionally, they create a protective layer that boosts the fabric's overall durability and resistance to deformation.
[0158] The evaluation of UV radiation blocking by the coated textile has been conducted within the wavelength range of 250-700 nm, as depicted in Figure 8c). The range is selected because it comprises the whole UV spectrum, including UVA (315-400 nm), UVB (280-315 nm), and visible light (400-700 nm). For bare cotton fabric, there was no significant UV blocking ability which after coating there were drastic lowering of transmittance values. This happens when the quantum dots based chromophors are interacting with the incident UV light. This became more prominent when the coating cycles increased. This is an obvious effect of dispersed QDs throughout the fabric surface and interstices as well. UV-A and UV-B blocking is important in the apparel industry for clothing protection, and it also plays a significant role in greenhouse-based agriculture technology. In addition, certain pests such as whiteflies, aphids, and thrips are attracted to UV-A light and can cause significant harm to crops
[0049] . Therefore, this material with a protective coating could be used as a substitute for a canopy in greenhouses. The obstruction was more noticeable when the fabrics had a greater covering. Here, a plausible rationale for the enhanced UV protection of polymer film was presented (Figure 8d). Everyone knows that sunlight includes a variety of electromagnetic radiations, including UV and visible light.
[0159] Figure 8e shows the relative increment in blocking (RIB) of UVA and UVB by cotton fabrics that have been coated with varying numbers of cycles. More coating cycles result in better UV blocking efficacy, as seen in the plot. Both the UVA and UVB RIBS of the uncoated cotton fabric (CO) are the lowest. There is almost no UVB blocking and a negligible RIB for UVA. The RIB for UVA and UVB gets much better with increasing coating cycles. Both UVA and UVB radiation cause a discernible rise in RIB for the cloth with a single coating cycle (Cl), but the rise is more dramatic for UVA. The RIB for UVA keeps going up with three coating cycles (C3), and it becomes almost 80. This shows that the capacity to block UVA has been significantly improved. Even though it's still not as effective as the RIB for UVA, the UVB blocking is an improvementnonetheless. After five coating cycles (C5), the results are the most impressive. The RIB for UVA hits its maximum at this moment, indicating that the blocking efficiency is promising as commercial products. Although it is still lower than the UVA blocking, the RIB for UVB also exhibits a significant increase.
[0160] The thermogravimetric analysis (TGA) and derivative thermogravimetry (DTG) profiles of both the coated and untreated cotton fabrics provide valuable information about their thermal stability and degradation characteristics. Figure 8f shows that the uncoated cotton fabric degrades at a lower temperature than the coated fabrics. Thermal deterioration of CO begins at around 250°C, and a significant reduction in mass takes place between 300°C and 400°C. This demonstrates the breakdown of the cellulose framework in cotton
[0050] . The breakdown of coated fabrics is delayed, initiating at elevated temperatures as the number of coating cycle rises. The presence of the PVA coating is responsible for the observed delay, which suggests an improvement in thermal stability. More precisely, the fabric that had one coating cycle (Cl) begins to degrade at a somewhat higher temperature than the fabric without any coating (CO). On the other hand, the fabrics that underwent three (C3) and five (C5) coating cycles show an even greater delay in deterioration, with the process starting at temperatures beyond 300°C. The DTG curves, as shown in Figure 8g, offer a more comprehensive examination of the rates at which degradation occurs. CO has a prominent peak at around 350°C, which corresponds to the highest rate of mass reduction during the initial thermal breakdown of cellulose. Conversely, the coated fabrics exhibit this peak at elevated temperatures. Cl has a maximum point at approximately 360°C, whereas C3 and C5 demonstrate peaks that are nearer to 370°C and 380°C, respectively. The observed increase in temperatures and decrease in peak intensity in the DTG curves indicate that the PVA coating significantly improves the cotton textiles' ability to withstand heat. The insets in both the TGA and DTG curves emphasize these patterns, highlighting the enhanced heat stability provided by the PVA coatings. This combined effect improves the fabric's capacity to withstand high temperatures, making these coatings extremely advantageous for applications that demand thermal stability.
[0161] The digital image of the QPC nanocomposite under daylight and UV light is shown in Figure 9a. The nanocomposite maintains its properties consistently over an extended period, suggesting its suitability for practical applications. The digital imageexhibits the luminescent properties of the nanocomposite under UV light. Nanoparticles tend to agglomerate because of their high surface energy. The polymer phase serves as a stabilizer by adsorbing onto the surfaces of the nanoparticles, resulting in the formation of stable nanocomposites. This observation highlights the potential of the nanocomposite for application in functional textiles that necessitate enduring stability and consistent optical characteristics. Figure 9b shows the digital images of the cotton samples under daylight. Cl, C3, and C5 represent QPC nanocomposite treated cotton with different coating cycles 1-5. Figure 9c displays the functional textile C3 in various physical states, including bent and rolled under daylight and UV light. It is worth noting that the coating retains its fluorescence features even after the fabric is twisted or manipulated. This flexibility is essential for real-world applications in wearable technology and smart textiles, where the material needs to withstand different types of physical strain while maintaining its functionality. Figure 9d presents a schematic illustration of the interactions among the SiCQDs, PVA chains, and the cellulosic building units of the cotton.
[0162] Coating robustness and breathability: Coating robustness is an important physical non-destructive method of assessing fabric durability. Two methods were applied to the durability test. For the finger rubbing test, nitrile gloves with rough finger tips were taken and rubbed to and fro repeatedly. Figure lOa-c shows the consecutive steps of the finger rubbing test which confirms no chalk out of the coating materials from the fabric surface. Moreover, to ensure this, the whole process was also monitored in UV light as shown in Figure lOd-f confirming no fluorescent fragments. This could infer the coating robustness during mechanical stress. Similar to this, the coated specimen was also tested against pressure sensitive adhesive (PSA) tapes where the PSA tapes were attached to the coated fabric and peeled apart repeatedly (Figure 10g- j). Similar to the finger rubbing test, there was no chalk out fragments observed during this test. The fluorescent images of the coated fabric in Figure lOk-n also support this.
[0163] In order to maintain comfort and health, it is crucial that fabrics allow air to circulate, especially when garments are worn close to the body. Fabrics that are breathable let air and moisture to pass through, which aids in temperature regulation and sweat management. Breathable fabrics also aid in cleanliness by reducing the proliferation of mold and mildew, boosting performance during physical exertion bykeeping the wearer comfortable, and adding longevity to clothing by avoiding the accumulation of moisture. Figure 10o,p shows that the fabrics allow water vapour throughout the pores. The figure confirms the vapour formation by noticing the opacity of the glass beaker. Similarly, to check the breathability another ammonium chloride formation reaction was also performed. Concentrated HC1 vapour was taken in a beaker with covering the fabric and taped tightly. Then ammonia wetted glass rod was taken to the upper portion of the beaker and white ammonium chloride fume was observed (Figure 10q,r) which could also infer the gas permeability through the fabrics. Considering the importance of sustainable practices, it is important to incorporate environmentally friendly techniques in the domain of textile manufacture. To maximize the eco-friendly impact of the textile industry, it is important to adopt sustainable resources and implement eco-friendly production methods148, 51]. This involves using renewable or recycled resources, implementing energy and water-efficient manufacturing methods, and so on. The textiles can be effectively modified to meet modem needs while contributing to a healthier, more ecologically conscious, and socially accountable future. In this present study, the CDs were synthesized using a straightforward hydrothermal process, followed by a simple wet mixing technique to produce a purposeful textile. The CDs are biocompatible and possess antioxidant properties and long term stability. Thus, incorporating sustainable techniques into textile development may help promote an environmentally and socially responsible sector.
[0164] Antioxidant Activity of the functional textile: The significance of antioxidant textiles has been growing gradually mostly due to their promising health advantages and wide-ranging utilization across various sectors. These textiles aim to fight oxidative stress, which is generated by an imbalance of free radicals and antioxidants in the body, resulting in cellular damage and contributing to aging and other disorders. Textiles containing antioxidants can help neutralize free radicals on the skin's surface, potentially lowering the risk of skin illnesses and enhancing overall skin health. Moreover, antioxidant textiles can offer an extra degree of protection against outside contaminants and harmful UV radiation in environments where patients are exposed to high levels of oxidative stress, such as critical care units or extended hospital stays.
[0165] The antioxidant properties of the composite cotton fabrics were determined using DPPH and ABTS radical scavenging experiments. The DPPH radicalscavenging activity of the QPC coating nanocomposite was assessed by measuring the absorbance after 30 min incubation in dark at different concentrations. As depicted in Figure I la, the DPPH scavenging activity gradually rises with nanocomposite concentration, reaching a plateau at around 250 pg / mL and stabilizing the activity at approximately 75%. These findings indicate that the nanocomposite demonstrates strong antioxidant characteristics, effectively neutralizing a significant amount of DPPH radicals even at low concentrations. The DPPH radical scavenging activity of the nanocomposite coated cotton samples was assessed after incubation periods of 30 and 70 min in dark. Figure 11b illustrates a progressive increase in scavenging activity as the coating levels increases, with C5 displaying the highest scavenging activity about 80%. Additionally, the evaluation of the antioxidant activity of the QPC nanocomposites and textile samples was conducted by assessing their ABTS-+ scavenging activity. The QPC nanocomposite demonstrates a notable antioxidant capacity, efficiently neutralizing ABTS radicals at relatively low concentrations (Figure 11c), similar to its effectiveness in DPPH radical scavenging. The fast achievement of a plateau indicates that the active sites in the nanocomposite become saturated rapidly, thereby maximizing its ability to scavenge radicals even at lower concentrations. As shown in Figure l id, the composite textiles demonstrated an increase in the ABTS antioxidant activity with the coating cycles. The color of the QPC-treated cotton specimens changed from blue-green to colorless, indicating their strong ABTS + scavenging activities. The maximum ABTS + radical scavenging activity of the coated textiles was calculated as about 90.2%. Meanwhile, the uncoated cotton (CO) exhibited minimal activity for both DPPH and ABTS assay. Based on the findings, it can be concluded that the coating effectively imparts antioxidant properties to the cotton, rendering it suitable for a variety of applications. The diagram shown in Figure 11 e demonstrates radicals scavenging activity of the functional textile.
[0166] Antibacterial activity of the functional textile: Textiles with antioxidant and antibacterial properties play a crucial role in hospital and medical settings by improving patient care and reducing the risk of infections. These textiles protect against harmful bacteria, helping to lower the risk of hospital-acquired infections (HAIs), which are a maj or concern in healthcare settings. The antibacterial characteristics serve to restrict the growth and spread of germs on medical clothing, bedding, and wound dressings, resulting in a cleaner, safer environment for patients and healthcare personnel.Simultaneously, the antioxidant qualities of these textiles aid in protecting against oxidative stress, which can hamper healing and aggravate illnesses like chronic wounds and inflammation. Antioxidant fabrics help to speed up recovery and decrease skin damage by neutralizing free radicals.
[0167] An antimicrobial assay was conducted on the functional cotton fabric using the disc diffusion method. E. coli and B. subtilis were selected as model strains for this study. E. coli and B. subtilis are often used as model organisms in scientific research because of their simplicity and ease of growing and study in laboratory environments. In addition, E. coli and B. subtilis are nonpathogenic and pose no risk when handled in a laboratory environment, which makes them ideal for scientific investigations. When the material's antibacterial property is sufficient to arrest bacterial growth, a region free of bacterial growth becomes noticeable. The area is commonly referred to as the zone of inhibition (ZOI). The lack of bacterial proliferation indicates that the substance's antibacterial characteristic is effective enough to inhibit bacterial growth. Natural cotton textiles often lack antibacterial characteristics due to the nutrients found in natural cotton fibers, which promote bacterial growth. The present study revealed that the untreated cotton fabric did not exhibit any obvious ZOI. The increase in the number of coating cycles leads to an increase in the deposition of nanocomposites onto the cotton surface. Therefore, the antibacterial activity of the cotton is enhanced. The histograms of the ZOI for untreated cotton and the various treated cotton samples are depicted in Figure 12a, b, c, d. The treated cotton fabric exhibited a notable ZOI, suggesting its remarkable antibacterial capabilities. Figure 12c, f demonstrates a corresponding increase in the ZOI, as the coating cycle increases. In addition, it is worth noting that the samples treated with only thymol (E. coli 12.0 mm; B. subtilis 12.5 mm) exhibited a lower level of antibacterial activity.
[0168] The antibacterial capability of the QPC nanocomposites was assessed by monitoring the bacterial growth in 96-well microtiter plates. The QPC nanocomposites were assessed for their minimum inhibitory concentration (MIC) values using the method described by Lin et al
[0052] . The MIC refers to the lowest concentration of a material that can prevent observable bacterial growth following incubation overnight. Various concentrations of samples were exposed to diluted bacteria on a 96-well microtiter plate. A well with diluted bacteria was used as a control in the experiment. After 24 h ofincubation at 37 °C, the well with the lowest sample concentration that showed no evidence of bacterial growth was noted as the MIC.
[0169] The nanocomposite displayed significant growth inhibition against both E. coli and B. subtilis strains, with MICs measured at 0.039 mg mL1. An MBC value was determined by inoculating samples of the bacterial culture onto agar plates, which exhibited no bacterial growth within 24 h. After 24 h of incubation at 37 °C, the minimal bactericidal concentration (MBC) was identified as the lowest concentration where no colonies were detected. The images in Figure 13 depict the time-dependent antibacterial behavior of QPC nanocomposites as observed on the nutrient agar plates. When examining the bacterial cells incubated with the TCC nanocomposites at different incubation times, it becomes clear that the QPC nanocomposite is highly effective in preventing significant bacterial growth within just 1 h. In contrast, the control plates for both categories of bacteria display noticeable bacterial evolution as depicted in Figure 13.
[0170] The post- washing evaluations indicated that the functional textile maintained its antibacterial activity, thereby demonstrating the durability and effectiveness of the applied coating. The coated textile demonstrated sustained antimicrobial properties for both B. subtilis and E.coli even after undergoing washing in water for 10 min at stirring condition and then dried in ambient condition as shown in Figure 14 and 15. The observed resilience of the incorporated nanocomposite indicates that it successfully adhered to the fabric, thereby preserving its functional integrity and antibacterial efficacy. The enduring antibacterial effectiveness even after washing indicates the durability of the coating and its potential for sustained use in a wide range of textile products. The integration of antibacterial and antioxidant properties within medical textiles serves to improve patient outcomes by facilitating the healing process and mitigating the risk of infections. Furthermore, the combination of functionalities also plays a pivotal role in improving hospital hygiene and safety, thereby establishing these types of textiles as an essential development within the healthcare domain.
[0171] Reported studies have indicated that the antibacterial abilities of nanoparticles are influenced by factors such as surface charge and structure|52-531. The occurrence of the amide linkage and amino groups on the surface of QDs greatly influences their bactericidal activity. The protonated form of this group interacts throughelectrostatic forces with the phospholipid of the bacterial somatic membrane, leading to the death of the bacteria. In addition to their antibacterial activity, the positive surface charge of the QDs enhances their electrostatic interactions with the negatively charged components of the lipid membrane. This interaction results in physical and mechanical damage to the bacterial membrane, leading to the leakage of cytoplasmic material1541. When QDs come into contact with a bacterial cell under visible or natural light, they can generate reactive oxygen species by activating the oxygen present in the air or water. The production of active oxygen species leads to the destruction of bacterial cells by targeting and damaging their biomolecules. The QPC coating nanocomposite used in our case contains thymol, which also offers antibacterial property1551. The presence of phenolic hydroxyl and lipophilic groups in thymol molecules facilitates the interaction between thymol and essential bacterial components, leading to cell disruption1561. In addition, thymol can hinder the function of bacterial anti oxi dative enzymes, which show a vital role in defusing reactive oxygen species (ROS). Alternatively, thymol can directly interact with molecular oxygen and produce ROS through redox reactions1571. The disruption caused by thymol can result in the breakdown of cell membranes, inhibition of essential enzymes, and the development of oxidative stress. This eventually leads to the biocidal action of thymol against bacteria1581. Figure 16 illustrates a schematic depiction of possible antibacterial processes of QPC nanocomposite.
[0172] Molecular Dynamics Modeling: Delving into the potential interactions and system behavior of the coated fabric with the QPC nanocomposite at the atomistic scale, MD simulations were performed. Figure 17a illustrates the ultimate molecular configuration of the functional textile sample after 86 ns of the absorption process. While a stable complex was formed among most of the involved components, an excessive number of thymol molecules remained unreacted, appearing at the top of the simulation box.
[0173] To track the time-dependent coating process of the fabric with the QPC solution, the number of contacts between each constituent was computed using the criterion of 0.6 nm or less for establishing contact1591. The corresponding plot (Figure 17b) shows a progressive increase in the number of contacts from the beginning of the coating process, stabilizing after a certain period. The intensity of complex formation follows the order: Fabric-PVA, PVA-CQD, CQD-Fabric, and CQD-Thymol. Besides,thymol molecules exhibited recurrent absorption / desorption throughout the simulation, particularly with PVA chains and the fabric surface. This behavior can be attributed to the more pronounced effect of thymol's lipophilic methyl and aryl groups, compared to its hydroxyl group, which hampers stable interactions with PVA and the polar cotton.
[0174] At any rate, the coating assembly was predominantly driven by van der Waals (vdW) and electrostatic (ES) non-bonded forces, the contribution of each is depicted in Figure 17c. The averaged intensities during the last 4 ns reveal that fabric interactions with CQD and PVA chains are primarily governed by ES forces due to the abundance of surface hydroxyl groups in the fabric and polar moieties such as hydroxyl and carboxylic groups in the PVA and CQD structures. Yet, an almost equal contribution of both forces was observed for the adsorption of PVA chains on the CQD surface, facilitated by polar functional groups (i.e., -OH and -COOH) and CH-n stacking of the PVA backbone onto the delocalized 7i-electrons of the terminal graphene layers of the CQD. At the other end of the spectrum, thymol molecules predominantly adsorbed onto the CQD’s terminal graphene layer via7i-7i and CH-n stacking interactions, resulting in a more pronounced vdW contribution compared to the ES forces. Additionally, a copious number of electron donor and acceptor entities facilitated the coating process through hydrogen bonding. For a hydrogen bond to form, the donor-acceptor distance must fall below 3.5 A, and the acceptor-hydrogen-donor angle must be under 30°. Accordingly, the maximum number of hydrogen bonds (NHB) formed between paired components during the final 4 ns of the simulation was computed and presented in Figure 17d. The results underscore the role of mercerization in promoting hydrogen bond formation between the fabric and the QPC nanocomposite, alongside the role of polar surface moieties on the CQD surface in forming hydrogen bonds within the QPC nanocomposite.
[0175] Finally, the radius of gyration (Rg) was analyzed to assess the conformational changes of the polymeric network, particularly the PVA chains. Rgis defined by:
[0177] where r, stands for the position of the 1thatom and m, denotes the mass of atomic site i in the PVA model. The Rgvalues of the two incorporated PVA models throughout the simulation are plotted in Figure 17e. Overall, the reduction in the Rgvaluesfrom an initial 2.7 nm to 1.7 and 1.1 nm indicates that both PVA chains became noticeably entangled with the fabric and CQD in the coated cotton system. As shown in Figure 17e, the lower Rgvalue corresponds to the PVA chain that adopted a coiled conformation in contact with the terminal graphene sheet of the CQD, highlighting the critical role of vdW forces in this interaction. Conversely, the chain with the higher Rgvalue remained mostly extended along the fiber surface, interacting primarily via ES forces, further corroborating the findings in Figure 17c. By and large, the mobility of the PVA chains decreased, forming stable complexes with the CQD and fabric, in agreement with the literature[18b’60].
[0178] While the present disclosure has been described with reference to examples, it is to be understood that the scope of the claims should not be limited by the embodiments set forth in the examples, but should be given the broadest interpretation consistent with the description as a whole.
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Claims
Claims:
1. A nanocomposite textile coating composition comprising: a plurality of silicene carbon quantum dots (SiCQDs) comprising polyethylene (PEI) and silicene; a polymer matrix; and an antibacterial agent; wherein the SiCQDs and the antibacterial agent are dispersed in the polymer matrix, and wherein the composition has antibacterial and antioxidant properties.
2. The nanocomposite textile coating composition of claim 1 , wherein the PEI has an average Mw of about 10,000 Da to about 30,000 Da.
3. The nanocomposite textile coating composition of claim 1 or 2, wherein the polymer in the polymer matrix is polyvinylpyrrolidone, polyethylene glycol, hydroxypropyl methylcellulose, carboxymethyl cellulose, polyvinyl alcohol (PVA) or combinations thereof.
4. The nanocomposite textile coating composition of claim 3, wherein the polymer is PVA and the PVA has an average Mw of about 75,000 Da to about 130,000 Da.
5. The nanocomposite textile coating composition of any one of claims 1 to 4, wherein the antibacterial agent is present in the composition in a concentration of about 0.05 g / ml to about 0.2 g / ml based on the total weight of the composition.
6. The nanocomposite textile coating composition of claim 5, wherein the antibacterial agent is selected from quaternary ammonium compounds, curcumin and thymol.
7. The nanocomposite textile coating composition of any one of claims 1 to 6, wherein the plurality of SiCQDs is present in the composition in an amount of about 0.1 wt% to about 10 wt%, based on the total weight of the composition.
8. The nanocomposite textile coating composition of any one of claims 1 to 7, wherein the average diameter of the SiCQDs is under 10 nm.
9. The nanocomposite textile coating composition of any one of claims 1 to 8, wherein the weight ratio of PEI to silicene in the SiCQDs is about 1:0.05 to about 1:0.125.
10. A textile coated with a nanocomposite textile coating composition of any one of claims 1 to 9.
11. The textile of claim 10, wherein the textile is coated with the nanocomposite textile coating composition in one or more coating cycles.
12. The textile of claim 11, wherein the textile is coated with the nanocomposite textile coating composition in at least three coating cycles.
13. The textile of claim 12, wherein the textile is coated with the nanocomposite textile coating composition in five coating cycles.
14. The textile of any one of claims 10 to 13, wherein the textile is selected from nylon, polyester, polypropylene, acrylic, cotton, linen, wool, and silk.
15. The textile of any one of claims 10 to 14, wherein the textile exhibits one or more of UV blocking, inhibition of bacterial growth and reduction or elimination of free radicals.
16. The textile of claim 15, wherein the inhibition of bacterial growth comprises inhibition of gram-negative bacteria.
17. The textile of claim 16, wherein the gram-negative bacteria is E. coli.
18. The textile of claim 15, wherein the inhibition of bacterial growth comprises inhibition of gram-positive bacteria.
19. The textile of claim 18, wherein the gram-positive bacteria is B. subtilis.
20. A method of making a nanocomposite textile coating composition comprising:subjecting an aqueous solution of silicene and polyethylenimine (PEI) to a hydrothermal reaction to obtain a SiCQD suspension; separating the SiCQD’s from the suspension and drying the SiCQD to obtain a plurality of SiCQDs; mixing a polymer and an antibacterial agent to obtain a polymer matrix / antibacterial agent mixture; and adding the plurality of SiCQDs to the polymer matrix / antibacterial agent mixture to obtain the nanocomposite coating composition.
21. The nanocomposite textile coating composition of claim 20, wherein the PEI has a Mw of about 10,000 Da to about 30,000 Da.
22. The method of claim 20 or 21, wherein the silicene is present in the aqueous solution in an amount of about 0.01 % w / v to about 12.5% w / v.
23. The method of any one of claims 20 to 22, wherein the PEI is present in the aqueous solution in an amount of about 1 % w / v to about 10 % w / v.
24. The method of any one of claims 20 to 23, wherein the hydrothermal reaction is carried out under a temperature of from about 120 °C to about 200 °C.
25. The method of any one of claims 20 to 24, wherein the hydrothermal reaction is carried out for about 18 hours to about 27 hours.
26. The method of any one of claims 20 to 25, wherein the average diameter of the SiCQDs is under 10 nm.
27. The method of any one of claims 20 to 26, wherein the weight ratio of the silicene to the PEI in the SiCQDs is about 1:0.05 to about 1:0.125.
28. The method of any one of claims 20 to 27, wherein the polymer is mixed with antibacterial agent as an aqueous solution.
29. The method of claim 28, wherein the polymer is present in the aqueous solution at a concentration of about 2% (w / v) to about 8% (w / v), based on the total volume of the aqueous solution.
30. The method of any one of claims 20 to 29, wherein the antibacterial agent is mixed with the polymer as an ethanolic solution.
31. The method of claim 30, wherein the antibacterial agent is present in the ethanolic solution at a concentration of about 0.05 g / ml to about 0.40 g / ml based on the total volume of the ethanolic solution.
32. The method of any one of claims 20 to 31, wherein the plurality of SiCQDs is added to the polymer / antibacterial agent in an amount of about 0.1 wt% to about 10 wt% based on the total weight of the nanocomposite coating composition.
33. The nanocomposite textile coating composition of any one of claims 20 to 32, wherein the polymer is polyvinylpyrrolidone, polyethylene glycol, hydroxypropyl methylcellulose, carboxymethyl cellulose, polyvinyl alcohol or combinations thereof.
34. The nanocomposite textile coating composition of claim 33, wherein the polymer is PVA and the PVA has an average Mw of about 75,000 Da to about 130,000 Da.
35. The nanocomposite textile coating composition of any one of claims 20 to 34, wherein the antibacterial agent is selected from quaternary ammonium compounds, curcumin and thymol.
36. A nanocomposite textile coating composition produced by the method of any one of claims 20 to 35, wherein the composition has antibacterial and antioxidant properties.
37. A method of making a textile coated with the nanocomposite coating comprising applying the nanocomposite composition as defined in any one of claims 1 to 6 or as prepared in the method of any one of claims 20 to 35, onto the textile.
38. The method of claim 37, wherein the method further comprises activating the textile prior to applying the nanocomposite composition onto the textile to form an activated textile.
39. The method of claim 38, wherein the activating the textile comprises treating the textile with a sodium hydroxide solution.
40. The method of claim 39, wherein the method further comprises treating the textile with KMnO-i.
41. The method of claim 40, wherein the method further comprises treating the textile with HC1 solution.
42. The method of any one of claims 38 to 41, wherein the nanocomposite composition is applied onto the activated textile in one or more coating cycles.
43. The method of claim 42, wherein the nanocomposite composition is applied onto the activated textile in least three coating cycles.
44. The method of claim 43, wherein the nanocomposite composition is applied onto the activated textile in five coating cycles.
45. The method of any one of claims 42 to 44, wherein each coating cycle has a duration of about 1 minute to about 5 minutes.
46. The method of any one of claims 37 to 45, wherein the textile is selected from nylon, polyester, polypropylene, acrylic, cotton, linen, wool, and silk.
47. The method of claim 46, wherein the textile is cotton.
48. The method of any one of claims 37 to 47, wherein the applying comprises dipping the textile in the nanocomposite composition and drying using a hot air dryer at a temperature of about 70°C to about 80°C.
49. A textile coated with the nanocomposite composition produced by the method of any one of claims 37 to 48.
50. The textile of claim 49, wherein the textile is selected from nylon, polyester, polypropylene, acrylic, cotton, linen, wool, and silk.
51. The textile of claim 49 or 50, wherein the textile exhibits one or more of UV blocking, inhibition of bacterial growth and reduction or elimination of free radicals.
52. The textile of claim 51, wherein the inhibition of bacterial growth comprises inhibition of gram-negative bacteria.
53. The textile of claim 52, wherein the gram-negative bacteria is E. coli.
54. The textile of claim 51, wherein the inhibition of bacterial growth comprises inhibition of gram-positive bacteria.
55. The textile of claim 54, wherein the gram-positive bacteria is B. subtilis.
56. A textile product comprising the textile of any one of claims 10 to 19 or claim 49.
57. The textile product of claim 56, wherein product is selected a mattress, bed sheet, bed linen, pillow, pillowcase, blanket, comforter, duvet, duvet cover, quilt, sofa, sofa slipcover, curtain, towel, mat, clothing, feminine hygiene product, uniform, tactical gear, seat covers, upholstery, lab coat, hospital gown, hospital scrub, medical mask, gauze, gauze pad, wound covering, trans-dermal patch, and bandage.
58. The method of any one of claims 37-48, wherein the method further comprises treating the textile coated with the nanocomposite composition of the application with a hydrophobic coating.
59. The method of claim 58, wherein the hydrophobic coating is a silane-based hydrophobic coating.
60. The method of claim 58 or 59, wherein the hydrophobic coating is applied by submerging the textile to which the nanocomposite composition of the application has been applied in a solution comprising a silane modifying compound, such as hexadecyltrimethoxysilane (HDTMS), in a suitable solvent such as ethanol, for anysuitable time, such as about 1 minute to about 20 minutes, or about 5 minutes, at about room temperature (about 20°C to about 25°C).
61. The method of any one of claims 58-60, further comprising drying the textile at elevated temperature (e.g. about 70°C to about 90°C, or about 80°C) and curing at e.g. about 120°C to about 140°C, or about 130°C).
62. A textile produced by the method of any one of claims 58 to 61.
63. The textile of any one of claims 10-19, further comprising a hydrophobic coating.
64. The textile of claim 63, wherein the hydrophobic coating is an alkyl silane-based hydrophobic coating.