{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,11]],"date-time":"2026-11-11T10:04:21Z","timestamp":1794391461072,"version":"4.9.0"},"reference-count":62,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2026,1,10]],"date-time":"2026-01-10T00:00:00Z","timestamp":1768003200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2026,1,12]],"date-time":"2026-01-12T00:00:00Z","timestamp":1768176000000},"content-version":"vor","delay-in-days":2,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"}],"funder":[{"name":"Kafr El Shiekh University"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Sci Rep"],"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    A two-dimensional covalent organic framework (2D-COF), COFTHB, was synthesized via a Schiff base condensation of terephthaldehyde and 1,4-hydrazonmethylbenzene under green, room-temperature conditions. COFTHB exhibits a mesoporous structure (pore size\u2009=\u20093.68 nm), excellent chemical stability, and high thermal stability up to 629\u202f\u00b0C. It demonstrated superior antibacterial activity against both Gram-negative (\n                    <jats:italic>Pseudomonas aeruginosa<\/jats:italic>\n                    ,\n                    <jats:italic>Escherichia coli<\/jats:italic>\n                    ) and Gram-positive (\n                    <jats:italic>Enterococcus faecalis<\/jats:italic>\n                    ,\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    ) bacteria compared to hydrazonmethyl benzene and a model compound (M). Molecular docking simulations revealed the interactions of COFTHB with various proteins, while Density Functional Theory (DFT) (WB97XD\/6-311G) analysis of COFTHB, HB (1,4-bis(\n                    <jats:italic>Z<\/jats:italic>\n                    )-hydrazonomethyl benzene), and the model compound provided insights into their electronic properties, reactivity, and resonance effects through Frontier Molecular Orbitals (FMO), Electrostatic Potential (ESP), and Molecular Electrostatic Potential (MEP) analyses. These results suggest COFTHB as a promising platform for antibacterial applications in water treatment.\n                  <\/jats:p>","DOI":"10.1038\/s41598-025-32900-3","type":"journal-article","created":{"date-parts":[[2026,1,10]],"date-time":"2026-01-10T08:35:16Z","timestamp":1768034116000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":11,"title":["Green synthesis of 2D azine-linked covalent organic framework with antibacterial activity correlated by molecular docking study and computational calculations"],"prefix":"10.1038","volume":"16","author":[{"given":"Eman","family":"Abdelnasser","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Asmaa M.","family":"Fahim","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel T.","family":"Oyekunle","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abd El-Motaleb Mosad","family":"Ramadan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmed I.","family":"Khodair","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,1,10]]},"reference":[{"issue":"3","key":"32900_CR1","doi-asserted-by":"publisher","first-page":"482","DOI":"10.3934\/microbiol.2018.3.482","volume":"4","author":"WCJAM Reygaert","year":"2018","unstructured":"Reygaert, W. C. J. A. M. An overview of the antimicrobial resistance mechanisms of bacteria. AIMS Microbiol. 4(3), 482. https:\/\/doi.org\/10.3934\/microbiol.2018.3.482 (2018).","journal-title":"AIMS Microbiol."},{"issue":"8","key":"32900_CR2","doi-asserted-by":"publisher","first-page":"1260","DOI":"10.1080\/10408398.2016.1251390","volume":"58","author":"F Zhu","year":"2018","unstructured":"Zhu, F. et al. Anti-inflammatory effects of phytochemicals from fruits, vegetables, and food legumes: A review. Crit Rev Food. 58(8), 1260\u20131270. https:\/\/doi.org\/10.1080\/10408398.2016.1251390 (2018).","journal-title":"Crit Rev Food."},{"issue":"4","key":"32900_CR3","doi-asserted-by":"publisher","first-page":"1397","DOI":"10.1111\/1541-4337.12515","volume":"19","author":"M Shen","year":"2020","unstructured":"Shen, M. et al. Antibacterial applications of metal\u2013organic frameworks and their composites. Compr. Rev. Food Sci. Food Saf. 19(4), 1397\u20131419. https:\/\/doi.org\/10.1111\/1541-4337.12515 (2020).","journal-title":"Compr. Rev. Food Sci. Food Saf."},{"issue":"39","key":"32900_CR4","doi-asserted-by":"publisher","first-page":"8749","DOI":"10.1002\/adma.201603006","volume":"28","author":"VS Vyas","year":"2016","unstructured":"Vyas, V. S. et al. Exploiting noncovalent interactions in an imine-based covalent organic framework for quercetin delivery. Adv. Mater. 28(39), 8749\u20138754. https:\/\/doi.org\/10.1002\/adma.201603006 (2016).","journal-title":"Adv. Mater."},{"issue":"7","key":"32900_CR5","doi-asserted-by":"publisher","first-page":"1137","DOI":"10.1002\/adfm.201403414","volume":"25","author":"Z Li","year":"2015","unstructured":"Li, Z. et al. Porous silicon nanodiscs for targeted drug delivery. Adv. Funct. Mater. 25(7), 1137\u20131145. https:\/\/doi.org\/10.1002\/adfm.201403414 (2015).","journal-title":"Adv. Funct. Mater."},{"issue":"3","key":"32900_CR6","doi-asserted-by":"publisher","first-page":"998","DOI":"10.1039\/C8TA10046B","volume":"7","author":"Z Li","year":"2019","unstructured":"Li, Z. et al. Benzothiadiazole functionalized D-A type covalent organic frameworks for effective photocatalytic reduction of aqueous chromium (VI). J. Mater. Chem. A. 7(3), 998\u20131004. https:\/\/doi.org\/10.1039\/C8TA10046B (2019).","journal-title":"J. Mater. Chem. A."},{"issue":"5","key":"32900_CR7","doi-asserted-by":"publisher","first-page":"1904","DOI":"10.1021\/acs.jced.6b00071","volume":"61","author":"R Ge","year":"2016","unstructured":"Ge, R. et al. Target Synthesis of an Azo (NN) Based Covalent Organic Framework with High CO2-over-N2 Selectivity and Benign Gas Storage Capability. J. Chem. Eng. Data. 61(5), 1904\u20131909. https:\/\/doi.org\/10.1021\/acs.jced.6b00071 (2016).","journal-title":"J. Chem. Eng. Data."},{"issue":"18","key":"32900_CR8","doi-asserted-by":"publisher","first-page":"5797","DOI":"10.1021\/jacs.6b02700","volume":"138","author":"S Dalapati","year":"2016","unstructured":"Dalapati, S. et al. Highly emissive covalent organic frameworks. J. Am. Chem. Soc. 138(18), 5797\u20135800. https:\/\/doi.org\/10.1021\/jacs.6b02700 (2016).","journal-title":"J. Am. Chem. Soc."},{"key":"32900_CR9","doi-asserted-by":"publisher","first-page":"106710","DOI":"10.1016\/j.jenvrad.2021.106710","volume":"238","author":"EA Gendy","year":"2021","unstructured":"Gendy, E. A. et al. High-performance removal of radionuclides by porous organic frameworks from the aquatic environment: A review. J. Environ. Radioact. 238, 106710. https:\/\/doi.org\/10.1016\/j.jenvrad.2021.106710 (2021).","journal-title":"J. Environ. Radioact."},{"key":"32900_CR10","doi-asserted-by":"publisher","DOI":"10.1016\/j.jece.2021.105687","author":"EA Gendy","year":"2021","unstructured":"Gendy, E. A. et al. Removal of heavy metals by Covalent Organic Frameworks (COFs): A review on its mechanism and adsorption properties. J. Environ. Chem. Eng. https:\/\/doi.org\/10.1016\/j.jece.2021.105687 (2021).","journal-title":"J. Environ. Chem. Eng."},{"key":"32900_CR11","doi-asserted-by":"publisher","first-page":"213868","DOI":"10.1016\/j.ccr.2021.213868","volume":"437","author":"J Ifthikar","year":"2021","unstructured":"Ifthikar, J. et al. The excursion covered for the elimination of chromate by exploring the coordination mechanisms between chromium species and various functional groups. Coord. Chem. Rev. 437, 213868. https:\/\/doi.org\/10.1016\/j.ccr.2021.213868 (2021).","journal-title":"Coord. Chem. Rev."},{"issue":"5","key":"32900_CR12","doi-asserted-by":"publisher","first-page":"1769","DOI":"10.1002\/anie.201509014","volume":"128","author":"Y Du","year":"2016","unstructured":"Du, Y. et al. Ionic covalent organic frameworks with spiroborate linkage. Angew. Chem. Int. Ed. 128(5), 1769\u20131773. https:\/\/doi.org\/10.1002\/anie.201509014 (2016).","journal-title":"Angew. Chem. Int. Ed."},{"issue":"3","key":"32900_CR13","doi-asserted-by":"publisher","first-page":"998","DOI":"10.1039\/C8TA10046B","volume":"7","author":"W Chen","year":"2019","unstructured":"Chen, W. et al. Benzothiadiazole functionalized D-A type covalent organic frameworks for effective photocatalytic reduction of aqueous chromium (VI). J. Mater. Chem. A. 7(3), 998\u20131004. https:\/\/doi.org\/10.1039\/C8TA10046B (2019).","journal-title":"J. Mater. Chem. A."},{"issue":"7","key":"32900_CR14","doi-asserted-by":"publisher","first-page":"1137","DOI":"10.1002\/adfm.201403414","volume":"25","author":"H Alhmoud","year":"2015","unstructured":"Alhmoud, H. et al. Porous silicon nanodiscs for targeted drug delivery. Adv. Funct. Mater. 25(7), 1137\u20131145. https:\/\/doi.org\/10.1002\/adfm.201403414 (2015).","journal-title":"Adv. Funct. Mater."},{"issue":"16","key":"32900_CR15","doi-asserted-by":"publisher","first-page":"8814","DOI":"10.1021\/acs.chemrev.9b00550","volume":"120","author":"K Geng","year":"2020","unstructured":"Geng, K. et al. Covalent organic frameworks: design, synthesis, and functions. Chem. Rev. 120(16), 8814\u20138933. https:\/\/doi.org\/10.1021\/acs.chemrev.9b00550 (2020).","journal-title":"Chem. Rev."},{"issue":"10","key":"32900_CR16","doi-asserted-by":"publisher","first-page":"2852","DOI":"10.1039\/D0CS00199F","volume":"49","author":"Y Li","year":"2020","unstructured":"Li, Y. et al. New synthetic strategies toward covalent organic frameworks. Chem. Soc. Rev. 49(10), 2852\u20132868. https:\/\/doi.org\/10.1039\/D0CS00199F (2020).","journal-title":"Chem. Soc. Rev."},{"issue":"7","key":"32900_CR17","doi-asserted-by":"publisher","first-page":"1979","DOI":"10.1039\/C0CC04386A","volume":"47","author":"X Feng","year":"2011","unstructured":"Feng, X. et al. Porphyrin-based two-dimensional covalent organic frameworks: synchronized synthetic control of macroscopic structures and pore parameters. Chem. Commun. 47(7), 1979\u20131981. https:\/\/doi.org\/10.1039\/C0CC04386A (2011).","journal-title":"Chem. Commun."},{"issue":"22","key":"32900_CR18","doi-asserted-by":"publisher","first-page":"5296","DOI":"10.1021\/cm061177g","volume":"18","author":"RW Tilford","year":"2006","unstructured":"Tilford, R. W. et al. Facile synthesis of a highly crystalline, covalently linked porous boronate network. Chem. Mater. 18(22), 5296\u20135301. https:\/\/doi.org\/10.1021\/cm061177g (2006).","journal-title":"Chem. Mater."},{"key":"32900_CR19","doi-asserted-by":"crossref","unstructured":"Gedanken, A. J. U. S. Using sonochemistry for the fabrication of nanomaterials, 11(2) 47\u201355 (2004).","DOI":"10.1016\/j.ultsonch.2004.01.037"},{"key":"32900_CR20","doi-asserted-by":"publisher","DOI":"10.2307\/1592511","author":"SA Salmon","year":"2000","unstructured":"Salmon, S. A. & Watts, J. D. Minimum inhibitory concentration determinations for various antimicrobial agents against 1570 bacterial isolates from turkey poults. Avian Dis. https:\/\/doi.org\/10.2307\/1592511 (2000).","journal-title":"Avian Dis."},{"issue":"14","key":"32900_CR21","doi-asserted-by":"publisher","first-page":"1176","DOI":"10.1001\/jama.1907.25320140022001f","volume":"49","author":"J McFarland","year":"1907","unstructured":"McFarland, J. The nephelometer: an instrument for estimating the number of bacteria in suspensions used for calculating the opsonic index and for vaccines. J. Am. Med. Assoc. 49(14), 1176\u20131178. https:\/\/doi.org\/10.1001\/jama.1907.25320140022001f (1907).","journal-title":"J. Am. Med. Assoc."},{"issue":"23","key":"32900_CR22","doi-asserted-by":"publisher","first-page":"977","DOI":"10.5897\/AJMR2017.8545","volume":"11","author":"CI Owuama","year":"2017","unstructured":"Owuama, C. I. Determination of minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) using a novel dilution tube method. Afr. J. Microbiol. Res. 11(23), 977\u2013980. https:\/\/doi.org\/10.5897\/AJMR2017.8545 (2017).","journal-title":"Afr. J. Microbiol. Res."},{"issue":"1","key":"32900_CR23","doi-asserted-by":"publisher","first-page":"105","DOI":"10.1080\/26415275.2020.1796674","volume":"7","author":"P Parvekar","year":"2020","unstructured":"Parvekar, P. et al. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of silver nanoparticles against Staphylococcus aureus. Biomater. investig. dent. 7(1), 105\u2013109. https:\/\/doi.org\/10.1080\/26415275.2020.1796674 (2020).","journal-title":"Biomater. investig. dent."},{"key":"32900_CR24","unstructured":"Biovia, D. S. Discovery studio modeling environment. Release (2017)."},{"issue":"4","key":"32900_CR25","first-page":"84","volume":"3","author":"RK Brundavanam","year":"2013","unstructured":"Brundavanam, R. K., Poinern, G. E. J. & Fawcett, D. J. Modelling the crystal structure of a 30 nm sized particle based hydroxyapatite powder synthesised under the influence of ultrasound irradiation from X-ray powder diffraction data. Am. J. Mater. Sci. 3(4), 84\u201390 (2013).","journal-title":"Am. J. Mater. Sci."},{"issue":"2","key":"32900_CR26","doi-asserted-by":"publisher","first-page":"356","DOI":"10.1107\/S0021889802023348","volume":"36","author":"MAJ Neumann","year":"2003","unstructured":"Neumann, M. A. J. X-Cell:a novel indexing algorithm for routine tasks and difficult cases. J. Appl. Cryst. 36(2), 356\u2013365. https:\/\/doi.org\/10.1107\/S0021889802023348 (2003).","journal-title":"J. Appl. Cryst."},{"issue":"4","key":"32900_CR27","doi-asserted-by":"publisher","first-page":"1800150","DOI":"10.1002\/adsu.201800150","volume":"3","author":"FZ Cui","year":"2019","unstructured":"Cui, F. Z. et al. Efficient Removal of Cr (VI) from Aqueous Solutions by a Dual-Pore Covalent Organic Framework. Adv. Sustain. Syst. 3(4), 1800150. https:\/\/doi.org\/10.1002\/adsu.201800150 (2019).","journal-title":"Adv. Sustain. Syst."},{"issue":"18","key":"32900_CR28","doi-asserted-by":"publisher","first-page":"1555","DOI":"10.2174\/156802608786786624","volume":"8","author":"S Vilar","year":"2008","unstructured":"Vilar, S., Cozza, G. & Moro, S. Medicinal chemistry and the molecular operating environment (MOE): application of QSAR and molecular docking to drug discovery. Cur. Top. Med. Chem. 8(18), 1555\u20131572. https:\/\/doi.org\/10.2174\/156802608786786624 (2008).","journal-title":"Cur. Top. Med. Chem."},{"issue":"12","key":"32900_CR29","doi-asserted-by":"publisher","first-page":"2221","DOI":"10.1016\/j.str.2004.09.019","volume":"12","author":"EF DeRose","year":"2004","unstructured":"DeRose, E. F. et al. Phage like it HOT: solution structure of the bacteriophage P1-encoded HOT protein, a homolog of the \u03b8 subunit of E. coli DNA polymerase III. Structure 12(12), 2221\u20132231. https:\/\/doi.org\/10.1016\/j.str.2004.09.019 (2004).","journal-title":"Structure"},{"issue":"7","key":"32900_CR30","doi-asserted-by":"publisher","first-page":"310","DOI":"10.1021\/acsinfecdis.5b00031","volume":"1","author":"DC McKinney","year":"2015","unstructured":"McKinney, D. C. et al. 4, 5-Disubstituted 6-aryloxy-1, 3-dihydrobenzo [c][1, 2] oxaboroles are Broad-Spectrum Serine \u03b2-Lactamase Inhibitors. ACS Infect. Dis. 1(7), 310\u2013316. https:\/\/doi.org\/10.1021\/acsinfecdis.5b00031 (2015).","journal-title":"ACS Infect. Dis."},{"issue":"3","key":"32900_CR31","doi-asserted-by":"publisher","first-page":"800","DOI":"10.1016\/j.jmb.2007.02.045","volume":"368","author":"G Roos","year":"2007","unstructured":"Roos, G. et al. The conserved active site proline determines the reducing power of Staphylococcus aureus thioredoxin. J. Mol. Bio. 368(3), 800\u2013811. https:\/\/doi.org\/10.1016\/j.jmb.2007.02.045 (2007).","journal-title":"J. Mol. Bio."},{"issue":"8","key":"32900_CR32","doi-asserted-by":"publisher","first-page":"1374","DOI":"10.1107\/S0907444904012004","volume":"60","author":"KO H\u00e5kansson","year":"2004","unstructured":"H\u00e5kansson, K. O., Brugna, M. & Tasse, L. The three-dimensional structure of catalase from Enterococcus faecalis. Acta Crystallogr. D Biol. Crystallogr. 60(8), 1374\u20131380. https:\/\/doi.org\/10.1107\/S0907444904012004 (2004).","journal-title":"Acta Crystallogr. D Biol. Crystallogr."},{"issue":"9","key":"32900_CR33","doi-asserted-by":"publisher","first-page":"4248","DOI":"10.1021\/acs.jctc.5b00407","volume":"11","author":"YV Suleimanov","year":"2015","unstructured":"Suleimanov, Y. V. & Green, W. H. Automated discovery of elementary chemical reaction steps using freezing string and Berny optimization methods. J. Chem. Theory Comput. 11(9), 4248\u20134259. https:\/\/doi.org\/10.1021\/acs.jctc.5b00407 (2015).","journal-title":"J. Chem. Theory Comput."},{"key":"32900_CR34","first-page":"25p","volume-title":"gaussian 09W Reference","author":"A Frisch","year":"2009","unstructured":"Frisch, A. gaussian 09W Reference 25p (Wallingford, 2009)."},{"key":"32900_CR35","unstructured":"Jamroz, M. H. Vibrational Energy Distribution Analysis VEDA 4, Warsaw, 2004\u20132010. Google Scholar There is no corresponding record for this reference (2004)."},{"key":"32900_CR36","doi-asserted-by":"publisher","first-page":"115537","DOI":"10.1016\/j.carbpol.2019.115537","volume":"229","author":"S Dacrory","year":"2020","unstructured":"Dacrory, S. & Fahim, A. M. Synthesis, anti-proliferative activity, computational studies of tetrazole cellulose utilizing different homogenous catalyst. Carb. Polym. 229, 115537. https:\/\/doi.org\/10.1016\/j.carbpol.2019.115537 (2020).","journal-title":"Carb. Polym."},{"issue":"45","key":"32900_CR37","doi-asserted-by":"publisher","first-page":"15885","DOI":"10.1021\/ja5092936","volume":"136","author":"T-Y Zhou","year":"2014","unstructured":"Zhou, T.-Y. et al. One-step construction of two different kinds of pores in a 2D covalent organic framework. J. Am. Chem. Soc. 136(45), 15885\u201315888. https:\/\/doi.org\/10.1021\/ja5092936 (2014).","journal-title":"J. Am. Chem. Soc."},{"issue":"4","key":"32900_CR38","doi-asserted-by":"publisher","first-page":"626","DOI":"10.1039\/C5TB01966D","volume":"4","author":"X-L Liu","year":"2016","unstructured":"Liu, X.-L. et al. Polycondensation and carbonization of phenolic resin on structured nano\/chiral silicas: Reactions, morphologies and properties. J. Mater. Chem. B. 4(4), 626\u2013634. https:\/\/doi.org\/10.1039\/C5TB01966D (2016).","journal-title":"J. Mater. Chem. B."},{"issue":"13","key":"32900_CR39","doi-asserted-by":"publisher","first-page":"2843","DOI":"10.1039\/C5CC10408D","volume":"52","author":"SB Alahakoon","year":"2016","unstructured":"Alahakoon, S. B. et al. An azine-linked hexaphenylbenzene based covalent organic framework. Chem. Commun. 52(13), 2843\u20132845. https:\/\/doi.org\/10.1039\/C5CC10408D (2016).","journal-title":"Chem. Commun."},{"issue":"46","key":"32900_CR40","doi-asserted-by":"publisher","first-page":"17310","DOI":"10.1021\/ja4103293","volume":"135","author":"S Dalapati","year":"2013","unstructured":"Dalapati, S. et al. An azine-linked covalent organic framework. J. Am. Chem. Soc. 135(46), 17310\u201317313. https:\/\/doi.org\/10.1021\/ja4103293 (2013).","journal-title":"J. Am. Chem. Soc."},{"issue":"8","key":"32900_CR41","first-page":"1598","volume":"31","author":"D Everett","year":"2001","unstructured":"Everett, D. & Koopal, L. International union of pure and applied chemistry. Polymer 31(8), 1598\u20131598 (2001).","journal-title":"Polymer"},{"issue":"2","key":"32900_CR42","doi-asserted-by":"publisher","first-page":"878","DOI":"10.1021\/acs.est.8b04215","volume":"53","author":"S Jansone-Popova","year":"2018","unstructured":"Jansone-Popova, S. et al. Guanidinium-based ionic covalent organic framework for rapid and selective removal of toxic Cr (VI) oxoanions from water. Environ. Sci. Technol. 53(2), 878\u2013883. https:\/\/doi.org\/10.1021\/acs.est.8b04215 (2018).","journal-title":"Environ. Sci. Technol."},{"issue":"14","key":"32900_CR43","doi-asserted-by":"publisher","first-page":"5328","DOI":"10.1021\/ja4017842","volume":"135","author":"BP Biswal","year":"2013","unstructured":"Biswal, B. P. et al. Synthesis of chemically stable isoreticular covalent organic frameworks. J. Am. Chem. Soc. 135(14), 5328\u20135331. https:\/\/doi.org\/10.1021\/ja4017842 (2013).","journal-title":"J. Am. Chem. Soc."},{"issue":"19","key":"32900_CR44","doi-asserted-by":"publisher","first-page":"2202","DOI":"10.1002\/adma.200903436","volume":"22","author":"MJ Bojdys","year":"2010","unstructured":"Bojdys, M. J. et al. Rational extension of the family of layered, covalent, triazine-based frameworks with regular porosity. Adv. Mater. 22(19), 2202\u20132205. https:\/\/doi.org\/10.1002\/adma.200903436 (2010).","journal-title":"Adv. Mater."},{"issue":"16","key":"32900_CR45","doi-asserted-by":"publisher","first-page":"6639","DOI":"10.1021\/ma101008c","volume":"43","author":"MJ Bojdys","year":"2010","unstructured":"Bojdys, M. J. et al. Antonietti, Ionothermal route to layered two-dimensional polymer-frameworks based on heptazine linkers. Macromolecules. 43(16), 6639\u20136645. https:\/\/doi.org\/10.1021\/ma101008c (2010).","journal-title":"Macromolecules."},{"issue":"4","key":"32900_CR46","doi-asserted-by":"publisher","first-page":"929","DOI":"10.1002\/chem.20180198","volume":"25","author":"H Miao","year":"2019","unstructured":"Miao, H. et al. Recent Progress in Two-Dimensional Antimicrobial Nanomaterials. Chem. Eur. J. 25(4), 929\u2013944. https:\/\/doi.org\/10.1002\/chem.20180198 (2019).","journal-title":"Chem. Eur. J."},{"issue":"8","key":"32900_CR47","doi-asserted-by":"publisher","first-page":"2823","DOI":"10.1021\/jacs.5b13533","volume":"138","author":"S Mitra","year":"2016","unstructured":"Mitra, S. et al. Self-exfoliated guanidinium-based ionic covalent organic nanosheets iCONs). J. Am. Chem. Soc. 138(8), 2823\u20132828. https:\/\/doi.org\/10.1021\/jacs.5b13533 (2016).","journal-title":"J. Am. Chem. Soc."},{"issue":"2","key":"32900_CR48","doi-asserted-by":"publisher","first-page":"1061","DOI":"10.1007\/s00289-020-03148-w","volume":"78","author":"EM Akl","year":"2021","unstructured":"Akl, E. M. et al. Preparation and characterization of novel antibacterial blended films based on modified carboxymethyl cellulose\/phenolic compounds. Polym. Bull. 78(2), 1061\u20131085. https:\/\/doi.org\/10.1007\/s00289-020-03148-w (2021).","journal-title":"Polym. Bull."},{"key":"32900_CR49","doi-asserted-by":"publisher","first-page":"130660","DOI":"10.1016\/j.molstruc.2021.130660","volume":"1241","author":"AM Fahim","year":"2021","unstructured":"Fahim, A. M. & Abu-El Magd, E. E. Enhancement of Molecular imprinted polymer as organic fillers on bagasse cellulose fibers with biological evaluation and computational calculations. J. Mol. Struct. 1241, 130660. https:\/\/doi.org\/10.1016\/j.molstruc.2021.130660 (2021).","journal-title":"J. Mol. Struct."},{"key":"32900_CR50","doi-asserted-by":"publisher","first-page":"127025","DOI":"10.1016\/j.molstruc.2019.127025","volume":"1199","author":"AM Fahim","year":"2020","unstructured":"Fahim, A. M. & Farag, A. M. Synthesis, antimicrobial evaluation, molecular docking and theoretical calculations of novel pyrazolo [1, 5-a] pyrimidine derivatives. J. Mol. Struct. 1199, 127025. https:\/\/doi.org\/10.1016\/j.molstruc.2019.127025 (2020).","journal-title":"J. Mol. Struct."},{"key":"32900_CR51","doi-asserted-by":"publisher","first-page":"130092","DOI":"10.1016\/j.molstruc.2021.130092","volume":"1233","author":"AM Fahim","year":"2021","unstructured":"Fahim, A. M. et al. Synthesis of novel \u03b2-lactams: antioxidant activity, acetylcholinesterase inhibition and computational studies. J. Mol. Struct. 1233, 130092. https:\/\/doi.org\/10.1016\/j.molstruc.2021.130092 (2021).","journal-title":"J. Mol. Struct."},{"issue":"1","key":"32900_CR52","doi-asserted-by":"publisher","first-page":"240","DOI":"10.1007\/s10904-021-02122-x","volume":"32","author":"AM Fahim","year":"2022","unstructured":"Fahim, A. M. et al. Porphyrazines by annulated diazepine rings with electrochemical conductance activities and computational studies. J. Inorg. Organomet. Polym. Mater. 32(1), 240\u2013266. https:\/\/doi.org\/10.1007\/s10904-021-02122-x (2022).","journal-title":"J. Inorg. Organomet. Polym. Mater."},{"key":"32900_CR53","doi-asserted-by":"publisher","first-page":"211","DOI":"10.1016\/j.molstruc.2019.04.078","volume":"1194","author":"AM Fahim","year":"2019","unstructured":"Fahim, A. M., Shalaby, M. A. & Ibrahim, M. A. Microwave-assisted synthesis of novel 5-aminouracil-based compound with DFT calculations. J. Mol. Struct. 1194, 211\u2013226. https:\/\/doi.org\/10.1016\/j.molstruc.2019.04.078 (2019).","journal-title":"J. Mol. Struct."},{"key":"32900_CR54","doi-asserted-by":"publisher","first-page":"304","DOI":"10.1016\/j.molstruc.2018.11.008Get","volume":"1179","author":"AM Farag","year":"2019","unstructured":"Farag, A. M. & Fahim, A. M. Synthesis, biological evaluation and DFT calculation of novel pyrazole and pyrimidine derivatives. J. Mol. Struct. 1179, 304\u2013314. https:\/\/doi.org\/10.1016\/j.molstruc.2018.11.008Get (2019).","journal-title":"J. Mol. Struct."},{"issue":"3","key":"32900_CR55","doi-asserted-by":"publisher","first-page":"343","DOI":"10.1007\/s002149900013","volume":"103","author":"FJ Luque","year":"2000","unstructured":"Luque, F. J., L\u00f3pez, J. M. & Orozco, M. Perspective on Electrostatic interactions of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects. Theor. Chem. Acc. 103(3), 343\u2013345. https:\/\/doi.org\/10.1007\/s002149900013 (2000).","journal-title":"Theor. Chem. Acc."},{"issue":"31","key":"32900_CR56","doi-asserted-by":"publisher","first-page":"12974","DOI":"10.1021\/jp960669l","volume":"100","author":"W Kohn","year":"1996","unstructured":"Kohn, W., Becke, A. D. & Parr, R. G. Density functional theory of electronic structure. J. Phys. Chem. 100(31), 12974\u201312980. https:\/\/doi.org\/10.1021\/jp960669l (1996).","journal-title":"J. Phys. Chem."},{"key":"32900_CR57","doi-asserted-by":"crossref","unstructured":"Gross, A. E., Dobson, J. and Petersilka, M. Density functional theory of time-dependent phenomena, in Density functional theory II. Springer. p. 81\u2013172 (1996).","DOI":"10.1007\/BFb0016643"},{"key":"32900_CR58","doi-asserted-by":"publisher","first-page":"32566","DOI":"10.1007\/s11356-022-18726-w","volume":"29","author":"EA Gendy","year":"2022","unstructured":"Gendy, E. A., Oyekunle, D. T., Ifthikar, J., Jawad, A. & Chen, Z. A review on the adsorption mechanism of different organic contaminants by covalent organic framework (COF) from the aquatic environment. Environ. Sci. Pollut. Res. 29, 32566. https:\/\/doi.org\/10.1007\/s11356-022-18726-w (2022).","journal-title":"Environ. Sci. Pollut. Res."},{"key":"32900_CR59","doi-asserted-by":"publisher","first-page":"119191","DOI":"10.1016\/j.molliq.2022.119191","volume":"358","author":"EA Gendy","year":"2022","unstructured":"Gendy, E. A., Khodair, A. I., Fahim, A. M., Oyekunle, D. T. & Chen, Z. Synthesis, characterization, antibacterial activities, molecular docking, and computational investigation of novel imine-linked covalent organic framework. J. Mol. Liq. 358, 119191. https:\/\/doi.org\/10.1016\/j.molliq.2022.119191 (2022).","journal-title":"J. Mol. Liq."},{"key":"32900_CR60","doi-asserted-by":"publisher","first-page":"100062","DOI":"10.1016\/j.nexres.2024.100062","volume":"1","author":"J Ifthikar","year":"2024","unstructured":"Ifthikar, J., Gendy, E. A., Khan, I. M., Khan, I. & Sajjad, M. J. Highly competent elimination of diverse toxic heavy metal oxo-anions by novel 2D guanidinium-based ionic covalent organic framework. Next Research 1, 100062. https:\/\/doi.org\/10.1016\/j.nexres.2024.100062 (2024).","journal-title":"Next Research"},{"key":"32900_CR61","doi-asserted-by":"publisher","first-page":"130810","DOI":"10.1016\/j.jhazmat.2023.130810","volume":"448","author":"J Ifthikar","year":"2023","unstructured":"Ifthikar, J. et al. Study on the coordination conduct and kinetic insights within the oxo-vanadate and organic reductive nitrogen and sulfur functionalities during the reduction coupled adsorption processes: Implications in practical applications. J. Hazard. Mater. 448, 130810. https:\/\/doi.org\/10.1016\/j.jhazmat.2023.130810 (2023).","journal-title":"J. Hazard. Mater."},{"key":"32900_CR62","doi-asserted-by":"publisher","first-page":"213868","DOI":"10.1016\/j.ccr.2021.213868","volume":"437","author":"J Ifthikar","year":"2021","unstructured":"Ifthikar, J. et al. The excursion covered for the elimination of chromate by exploring the coordination mechanisms between chromium species and various functional groups. Coord. Chem. Rev. 437, 213868. https:\/\/doi.org\/10.1016\/j.ccr.2021.213868 (2021).","journal-title":"Coord. Chem. Rev."}],"container-title":["Scientific Reports"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.nature.com\/articles\/s41598-025-32900-3","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s41598-025-32900-3.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s41598-025-32900-3.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,1,15]],"date-time":"2026-01-15T10:19:44Z","timestamp":1768472384000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.nature.com\/articles\/s41598-025-32900-3"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,1,10]]},"references-count":62,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2026,12]]}},"alternative-id":["32900"],"URL":"https:\/\/doi.org\/10.1038\/s41598-025-32900-3","relation":{},"ISSN":["2045-2322"],"issn-type":[{"value":"2045-2322","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,1,10]]},"assertion":[{"value":"14 October 2025","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"13 December 2025","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"10 January 2026","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}}],"article-number":"1335"}}