nach oben

Optical and Quantum Electronics

Erschienen in:

01.04.2024

Influence of solvent variability on the physico-structural properties of nanoscale chitosan biopolymers

verfasst von: Abdullah M. S. Alhuthali, Haitham Kalil, Medhat A. Ibrahim

Erschienen in: Optical and Quantum Electronics | Ausgabe 4/2024

Einloggen

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config

KI-gestützte Suche

Aus

Abstract

Functionalized biopolymers, especially at the nanoscale, boast a broad spectrum of applications. In this context, our laboratory synthesized chitosan, an example of such biopolymers, through the deacetylation of chitin derived from shrimp. The molecular structure of the prepared chitosan was examined using FTIR, which confirmed its similarity to commercially available chitosan. A significant aspect of chitosan’s functionalization largely hinges on its solubility in major solvents, which in turn affects its potential applications. In this study, the DFT:B3LYP/3-21g* model was employed to investigate the influence of various solvents on the structural and physical properties of chitosan. Key parameters such as the total dipole moment (TDM), HOMO/LUMO energy gap, and molecular electrostatic potential (MESP) were calculated to ascertain the effect of solvation on nanoscale chitosan. The findings suggest that solvation enhances chitosan’s reactivity in terms of the TDM, HOMO/LUMO energy gap, and MESP. Additionally, solvation led to minor alterations in chitosan’s structural parameters. To experimentally validate the theoretical outcomes, chitosan was dissolved in several solvents. The FTIR spectrum of each solution was then recorded and juxtaposed against raw (undissolved) chitosan. The analyses showed no modifications in the molecular structure due to solvation.

Vorheriger Artikel D-type photonic crystal fiber refractive index sensor with ultra-high fabrication stability and ultra-wide detection range

Nächster Artikel Numerical and experimental study of transparent electrode effect for charge transport layer-free perovskite solar cells

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 390 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Maschinenbau + Werkstoffe

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

über 102.000 Bücher
über 537 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Finance + Banking
Management + Führung
Marketing + Vertrieb
Maschinenbau + Werkstoffe
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Wirtschaft"

Online-Abonnement

Mit Springer Professional "Wirtschaft" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 340 Zeitschriften

aus folgenden Fachgebieten:

Bauwesen + Immobilien
Business IT + Informatik
Finance + Banking
Management + Führung
Marketing + Vertrieb
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Abdelgawad, A.M., Hudson, S.M., Rojas, O.J.: Antimicrobial wound dressing nanofiber mats from multicomponent (chitosan/silver-NPs/polyvinyl alcohol) systems. Carbohydr. Polym. 100, 166–178 (2014). https://doi.org/10.1016/j.carbpol.2012.12.043CrossRefPubMed

Agnihotri, S.A., Mallikarjuna, N.N., Aminabhavi, T.M.: Recent advances on chitosan-based micro-and nanoparticles in drug delivery. J. Control. Release 100, 5–28 (2004). https://doi.org/10.1016/j.jconrel.2004.08.010CrossRefPubMed

Agrawal, P., Pramanik, K., Biswas, A., Ku Patra, R.: In vitro cartilage construct generation from silk fibroin-chitosan porous scaffold and umbilical cord blood derived human mesenchymal stem cells in dynamic culture condition. J. Biomed. Mater. Res. Part A 106, 397–407 (2018). https://doi.org/10.1002/jbm.a.36253CrossRef

Aguzzi, C., Sandri, G., Bonferoni, C., Cerezo, P., Rossi, S., Ferrari, F., Caramella, C., Viseras, C.: Solid state characterisation of silver sulfadiazine loaded on montmorillonite/chitosan nanocomposite for wound healing. Colloids Surf. B Biointerfaces 113, 152–157 (2014). https://doi.org/10.1016/j.colsurfb.2013.08.043CrossRefPubMed

Ahmad, M., Nirmal, N.P., Danish, M., Chuprom, J., Jafarzedeh, S.: Characterisation of composite films fabricated from collagen/chitosan and collagen/soy protein isolate for food packaging applications. RSC Adv. 6, 82191–82204 (2016). https://doi.org/10.1039/C6RA13043GADSCrossRef

Akman, F.: Prediction of chemical reactivity of cellulose and chitosan based on density functional theory. Cellul. Chem. Technol. 51(3–4), 253–262 (2017a)

Akman, F.: Molecular structure, kinetics and mechanism of thermal decomposition, molecular electrostatic potential, thermodynamic parameters and HOMO–LUMO analysis of coumarin-containing graft copolymer. Polym. Bull. 74(8), 2975–2993 (2017b). https://doi.org/10.1007/s00289-016-1875-0CrossRef

Akman, F.: Effect of solvents on intra-and inter-molecular interactions of oligothiophenes. J. Mol. Model. 29(9), 1–18 (2023). https://doi.org/10.1007/s00894-023-05684-4CrossRef

Al-Bagawi, A.H., Bayoumy, A.M., Ibrahim, M.A.: Molecular modeling analyses for graphene functionalized with Fe₃O₄ and NiO. Heliyon 6(7), e04456 (2020). https://doi.org/10.1016/j.heliyon.2020.e04456CrossRefPubMedPubMedCentral

Bayoumy, A.M., El-Sayed, E.S.M., Omar, A., Ibrahim, M.: Emerging applications of chitosan: from biology to environment. Biointerface Res. Appl. Chem. 8(4), 3368–3380 (2018)

Becke, A.D.: Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98, 5648–5652 (1993). https://doi.org/10.1007/s002149900065ADSCrossRef

Brugnerotto, J., Lizardi, J., Goycoolea, F.M., Argüelles-Monal, W., Desbrières, J., Rinaudo, M.: An infrared investigation in relation with chitin and chitosan characterization. Polymer 42, 3569–3580 (2001). https://doi.org/10.1016/S0032-3861(00)00713-8CrossRef

Croisier, F., Jérôme, C.: Chitosan-based biomaterials for tissue engineering. Eur. Polym. J. 49, 780–792 (2013). https://doi.org/10.1016/j.eurpolymj.2012.12.009CrossRef

Danielache, S., Mizuno, M., Shimada, S., Endo, K., Ida, T., Takaoka, K., Kurmaev, E.Z.: Analysis of ¹³C NMR chemical shielding and XPS for cellulose and chitosan by DFT calculations using the model molecules. Polym. J. 37(1), 21–29 (2005)CrossRef

De Benedictis, V.M., Soloperto, G., Demitri, C.: Correction of MHS viscosimetric constants upon numerical simulation of temperature induced degradation kinetic of chitosan solutions. Polymers (Basel) 8, 210 (2016). https://doi.org/10.3390/polym8060210CrossRefPubMedPubMedCentral

de Queiroz Antonino, R.S.C.M., Lia Fook, B.R.P., De Oliveira Lima, V.A., De Farias Rached, R.Í., Lima, E.P.N., Da Silva Lima, R.J., Peniche Covas, C.A., Lia Fook, M.V.: Preparation and characterization of chitosan obtained from shells of shrimp (Litopenaeus vannamei Boone). Mar. Drugs 15, 141 (2017). https://doi.org/10.3390/md15050141CrossRefPubMedPubMedCentral

Dong, Y., Xu, C., Wang, J., Wang, M., Wu, Y., Ruan, Y.: Determination of degree of substitution for N-acylated chitosan using IR spectra. Sci. China Ser. B Chem. 44, 216–224 (2001). https://doi.org/10.1007/BF02879541CrossRef

Donglai, W., Hongtao, S., Yuchun, Z.: Theoretical study on molecular electrostatic potential of C₇₈. J. Rare Earths 25(2), 210–214 (2007). https://doi.org/10.1016/S1002-0721(07)60075-1CrossRef

Dutta, J.: A facile approach for the determination of degree of deacetylation of chitosan using acid-base titration. Heliyon 8, e09924 (2022). https://doi.org/10.1016/j.heliyon.2022.e09924CrossRefPubMedPubMedCentral

El-Sayed, N., El-Bakary, M., Ibrahim, M., Elgamal, M.: Molecular modeling analysis of chitosan-dopamine blend with iron oxide nanoparticles for tissue engineering applications. Biointerface Res. Appl. Chem. 11(5), 12483–12494 (2021)CrossRef

Esrafili, M.D., Elmi, F., Hadipour, N.L.: Density functional theory investigation of hydrogen bonding effects on the oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors of anhydrous chitosan crystalline structure. J. Phys. Chem. A 111(5), 963–970 (2007a)CrossRefPubMed

Esrafili, M.D., Behzadi, H., Hadipour, N.L.: Influence of N–H… O and O–H… O hydrogen bonds on the ¹⁷O, ¹⁵N and ¹³C chemical shielding tensors in crystalline acetaminophen: a density functional theory study. Biophys. Chem. 128(1), 38–45 (2007b)CrossRefPubMed

Ezzat, H.A., Hegazy, M.A., Nada, N.A., Osman, O., Ibrahim, M.A.: Studying the optical and thermal properties of Cs/ZnO and Cs/ZnO/GO hybrid nanocomposites. Opt. Mater. 135, 113244 (2023)CrossRef

Foresman, J.B., Frisch, A.E.: Exploring Chemistry with Electronic Structure Methods, 2nd Edition. Gaussian, Pittsburgh (1996)

Frisch, M. J., G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani et al.: Gaussian 09, Revision C. 01.[computer software]. Wallingford CT: Gaussian. Inc. Search in (2010)

Hengameh, H., Mehdi, B.: Applications of biopolymers I: chitosan. Monatshefte Für Chemie-Chem. Mon. 140, 1403–1420 (2009). https://doi.org/10.1007/s00706-009-0197-4CrossRef

Ibrahim, M., El-Haes, H.: Computational spectroscopic study of copper, cadmium, lead and zinc interactions in the environment. Int. J. Environ. Pollut. 23(4), 417–424 (2005). https://doi.org/10.1504/IJEP.2005.007604CrossRef

Ibrahim, M., Mahmoud, A.A.: Computational notes on the reactivity of some functional groups. J. Comput. Theor. Nanosci. 6, 1523–1526 (2009). https://doi.org/10.1166/jctn.2009.1205CrossRef

Ibrahim, M., Mahmoud, A.A., Osman, O., Refaat, A., El-Sayed, E.M.: Molecular spectroscopic analyses of nano chitosan blend as biosensor. Spectrochim. Acta Part A Mol. Biomol. Spectrosc. 77, 802–806 (2010). https://doi.org/10.1016/j.saa.2010.08.007ADSCrossRef

Ismail, A.M., Tiama, T.M., Farghaly, A., Elhaes, H., Ibrahim, M.A.: Assessment of the functionalization of chitosan/iron oxide nanoparticles. Biointerface Res. Appl. Chem. 13(6), 582 (2023)

Kasaai, M.R.: A review of several reported procedures to determine the degree of N-acetylation for chitin and chitosan using infrared spectroscopy. Carbohydr. Polym. 71(4), 497–508 (2008)CrossRef

Kaya, S., Erkan, S., Karakaş, D.: Computational investigation of molecular structures, spectroscopic properties and antitumor-antibacterial activities of some Schiff bases. Spectrochim. Acta Part A Mol. Biomol. Spectrosc. 244, 118829 (2021)CrossRef

Khodaei, S., Hadipour, N.L., Kasaai, M.R.: Theoretical investigation of hydrogen bonding effects on oxygen, nitrogen, and hydrogen chemical shielding and electric field gradient tensors of chitosan/HI salt. Carbohydr. Res. 342(16), 2396–2403 (2007)CrossRefPubMed

Lee, C., Yang, W., Parr, R.G.: Development of the Colic-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 37, 785–789 (1988). https://doi.org/10.1103/PhysRevB.37.785ADSCrossRef

Moghadas, B., Dashtimoghadam, E., Mirzadeh, H., Seidi, F., Hasani-Sadrabadi, M.M.: Novel chitosan-based nanobiohybrid membranes for wound dressing applications. RSC Adv. 6(10), 7701–7711 (2016). https://doi.org/10.1039/C5RA23875GADSCrossRef

Moghadas, B., Solouk, A., Sadeghi, D.: Development of chitosan membrane using non-toxic crosslinkers for potential wound dressing applications. Polym. Bull. 78(9), 4919–4929 (2020). https://doi.org/10.1007/s00289-020-03352-8CrossRef

Mol, G.S., Aruldhas, D., Joe, I.H.: Chemical reactivity, molecular electrostatic potential and in-silico analysis on benzimidazole fungicide benomyl. Heliyon 8, e11417 (2022). https://doi.org/10.1016/j.heliyon.2022.e11417CrossRefPubMedPubMedCentral

No, H.K., Meyers, S.P.: Preparation and characterization of chitin and chitosan—a review. J. Aquat. Food Prod. Technol. 4, 27–52 (1995). https://doi.org/10.1300/J030v04n02_03CrossRef

Ourhzif, E.M., Ketatni, E.M., Akssira, M., Troin, Y., Khouili, M.: Crystal structure, Hirshfeld surface analysis and DFT studies of Euphorbioside monohydrate a major bisnorsesquiterpene isolated from Euphorbia resinifera latex. J. Mol. Struct. 1241, 130511 (2021). https://doi.org/10.1016/j.molstruc.2021.130511CrossRef

Peniche, C., Argüelles-Monal, W.: Chitosan based polyelectrolyte complexes. In: Natural and Synthetic Polymers: Challenges and Perspectives, pp. 103–116. Wiley-VCH, Weinheim Germany (2001)

Raafat, D., Sahl, H.G.: Chitosan and its antimicrobial potential—a critical literature survey. Microb. Biotechnol. 2, 186–201 (2009). https://doi.org/10.1111/j.1751-7915.2008.00080.xCrossRefPubMedPubMedCentral

Rafique, A., Zia, K.M., Zuber, M., Tabasum, S., Rehman, S.: Chitosan functionalized poly (vinyl alcohol) for prospects biomedical and industrial applications: a review. Int. J. Biol. Macromol. 87, 141–154 (2016). https://doi.org/10.1016/j.ijbiomac.2016.02.035CrossRefPubMed

Rasente, R.Y., Imperiale, J.C., Lazaro-Martinez, J.M., Gualco, L., Oberkersch, R., Sosnik, A., Calabrese, G.C.: Dermatan sulfate/chitosan polyelectrolyte complex with potential application in the treatment and diagnosis of vascular disease. Carbohydr. Polym. 144, 362–370 (2016). https://doi.org/10.1016/j.carbpol.2016.02.046CrossRefPubMed

Rasool, F., Hussain, A., Ayub, K., Tariq, M., Mahmood, K., Yousuf, S., Yar, M., Khalid, M., Samreen, H.S., Lateef, M., Malik, A.: Experimental and theoretical investigations on (E)-3-(4-ethoxyphenyl)-1-(2-(trifluoromethyl)phenyl)prop-2-en-1-one and (E)-3-(naphthalen-2-yl)-1-(2-(trifluoromethyl) phenyl)prop-2-en-1-one: DNA binding, urease inhibition and promising NLO response. J. Mol. Struct. 1253, 132194 (2022a). https://doi.org/10.1016/j.molstruc.2021.132194CrossRef

Rasool, F., Hussain, A., Yar, M., Ayub, K., Sajid, M., Khan, M.A., Asif, H.M., Imran, M., Assiri, M.A.: Nonlinear optical response of 9, 10-bis (phenylethynyl) anthracene mediated by electron donating and electron withdrawing substituents: a density functional theory approach. Mater. Sci. Semicond. Process. 148, 106751 (2022b). https://doi.org/10.1016/j.mssp.2022.106751CrossRef

Şahin, Z.S., Şenöz, H.I., Tezcan, H., Büyükgüngör, O.: Synthesis, spectral analysis, structural elucidation and quantum chemical studies of (E)-methyl-4-[(2-phenylhydrazono)methyl]benzoate. Spectrochim. Acta Part A Mol. Biomol. Spectrosc. 143, 91 (2015). https://doi.org/10.1016/j.saa.2015.02.032ADSCrossRef

Sanjanwala, D., Londhe, V., Trivedi, R., Bonde, S., Sawarkar, S., Kale, V., Patravale, V.: Polysaccharide-based hydrogels for drug delivery and wound management: a review. Expert Opin. Drug Del. 19(12), 1664–1695 (2022). https://doi.org/10.1080/17425247.2022.2152791CrossRef

Silva, D., Am Delezuk, J., A La Porta, F., Longo, E., P Campana-Filho, S.: Comparison of experimental and theoretical data on the structural and electronic characterization of chitin and chitosan. Curr. Phys. Chem. 5(3), 206–213 (2015)CrossRef

Tan, Y.N., Lee, P.P., Chen, W.N.J.F.: Dual extraction of crustacean and fungal chitosan from a single Mucor circinelloides fermentation. Fermentation 6, 40 (2020). https://doi.org/10.3390/fermentation6020040CrossRef

Thomas, D., Thomas, S.: Chemical modification of chitosan and its biomedical application. In: Dufresne, A., Thomas, S., Pothen, L.A. (eds.) Biopolymer Nanocomposites: Processing, Properties, and Applications, pp. 33–51. Wiley, New Jersey (2013). https://doi.org/10.1002/9781118609958.ch3CrossRef

Tiama, T.M., Elhaes, H., Ibrahim, M.A.: Application of chitosan/Fe₃O₄ nanocomposite as biosensor. Lett. Appl. Nanobiosci. 10(3), 2438–2445 (2021)CrossRef

Tiama, T.M., Ismail, A.M., Elhaes, H., Ibrahim, M.A.: Structural and spectroscopic studies for chitosan/Fe₃O₄ nanocomposites as glycine biosensors. Biointerface Res. Appl. Chem. 13(6), 547 (2023)

Vosko, S.H., Wilk, L., Nusair, M.: Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis. Can. J. Phys. 58, 1200–1211 (1980). https://doi.org/10.1139/p80-159ADSCrossRef

Zhang, Y.-J., Gao, B., Liu, X.-W.: Topical and effective hemostatic medicines in the battlefield. Int. J. Clin. Exp. Med. 8(1), 10–19 (2015)PubMedPubMedCentral

Titel: Influence of solvent variability on the physico-structural properties of nanoscale chitosan biopolymers
verfasst von: Abdullah M. S. Alhuthali
Haitham Kalil
Medhat A. Ibrahim
Publikationsdatum: 01.04.2024
Verlag: Springer US
Erschienen in: Optical and Quantum Electronics / Ausgabe 4/2024
Print ISSN: 0306-8919
Elektronische ISSN: 1572-817X
DOI: https://doi.org/10.1007/s11082-023-06090-z

Neuer Inhalt

Bildnachweise

VDI-Icon, Profil Icon, inhalt2, Springer Professional Modul/© Springer Fachmedien Wiesbaden GmbH, Internationaler Motorenkongress/© [M] ATZlive | Chisnikov / Fotolia.com, Search Icon, Banner Hanser, Customer Experience/© © oatawa / Getty Images / iStock, Erdgasmotor 1.5 TGI evo von Volkswagen/© Volkswagen AG, Thorsten Mücke/© Alexandra Bachran, Zeitschrift Wissensmanagement Cover, PatentFit-Logo/© Springer Fachmedien Wiesbaden GmbH, 2023_Antrieb/© supervisuell, ATZ-Webinar: Prototypenfreie Entwicklung durch Offline- und Driver-in-the-Loop-HiL-Tests /© (c) VI-grade, chassis.tech plus 2023/© [M] ATZlive / TÜV SÜD PRODUCT SERVICE GMBH

Springer Professional

Abstract

Bitte loggen Sie sich ein, um Zugang zu Ihrer Lizenz zu erhalten.

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Technik"

Springer Professional "Wirtschaft+Technik"

Springer Professional "Wirtschaft"

Weitere Artikel der Ausgabe 4/2024

Highly sensitive biosensor based on nanoparticle/grating: a case study on detecting waterborne bacteria in drinking water

Optical wearable sensor based dance motion detection in health monitoring system using quantum machine learning model

Design of all-optical AND gate based on a hybrid photonic crystal and plasmonic structure

First-principles study of the electronic structure, optical, thermodynamic, and thermoelectric nature in MgACu3Se4 (A = Sc, Y) semiconductors

Half-metallic Na-based half-Heusler alloys as potential spintronic materials

Laser ablation and LIPSS formation at static and dynamic multi-pulse regime on protective Al2O3/TiAlN coating

Neuer Inhalt

Bitte loggen Sie sich ein, um Zugang zu Ihrer Lizenz zu erhalten.

Bitte loggen Sie sich ein, um Zugang zu Ihrer Lizenz zu erhalten.