{"entity": "researcher", "timestamp": "2026-07-13T09:04:45.540Z", "family": "Irgum", "given": "Knut", "initials": "K", "orcid": "0000-0003-3457-7564", "affiliations": ["Ume\u00e5 University , Department of Chemistry , S-901 87 Ume\u00e5 , Sweden."], "links": {"self": {"href": "https://publications.scilifelab.se/researcher/a53af6b9ed8a45748869319a088b15bf.json"}, "display": {"href": "https://publications.scilifelab.se/researcher/a53af6b9ed8a45748869319a088b15bf"}}, "publications": [{"entity": "publication", "iuid": "ce713a21963c48ea9389dc8b6dbfa37f", "links": {"self": {"href": "https://publications.scilifelab.se/publication/ce713a21963c48ea9389dc8b6dbfa37f.json"}, "display": {"href": "https://publications.scilifelab.se/publication/ce713a21963c48ea9389dc8b6dbfa37f"}}, "title": "Melamine-Based Molecularly Imprinted Monoliths Targeting Glyphosate in Aqueous Media: Synthesis and Binding Mechanism Elucidation.", "authors": [{"family": "Huynh", "given": "Chau Minh", "initials": "CM"}, {"family": "Luong", "given": "N Tan", "initials": "NT"}, {"family": "Nguyen", "given": "Trung", "initials": "T"}, {"family": "Dinh", "given": "Ngoc Phuoc", "initials": "NP"}, {"family": "Boily", "given": "Jean-Fran\u00e7ois", "initials": "JF", "orcid": "0000-0003-4954-6461", "researcher": {"href": "https://publications.scilifelab.se/researcher/0a8cc96018014a97a0ab7e99b4fc0eb5.json"}}, {"family": "Irgum", "given": "Knut", "initials": "K", "orcid": "0000-0003-3457-7564", "researcher": {"href": "https://publications.scilifelab.se/researcher/a53af6b9ed8a45748869319a088b15bf.json"}}], "type": "journal article", "published": "2025-06-10", "journal": {"title": "ACS Omega", "issn": "2470-1343", "volume": "10", "issue": "22", "pages": "22412-22425", "issn-l": "2470-1343"}, "abstract": "Cross-linked melamine imprinted monoliths targeting glyphosate were synthesized using 4-phosphonobutanoic acid (PBA) and N-(phosphonomethyl)-iminodiacetic acid (PMIDA) as templates. The binding capacities, evaluated in an aqueous medium, showed that both PMIDA and PBA promoted selective binding sites with imprinting factors of 2.5 and 1.7, respectively. Despite a relatively low imprinting factor, the polymer imprinted with PMIDA showed a noticeably higher binding efficiency in the presence of sodium chloride compared to the nonimprinted reference, demonstrating an ability to selectively target the desired analytes in real sample matrices. Spectroscopic investigations using Fourier transform infrared and 1H nuclear magnetic resonance spectroscopy revealed the formation of \"memory pockets\" for glyphosate molecules in the imprinted melamine-formaldehyde scaffold promoted by simultaneous contributions from (i) hydrogen bonding with N-H/O-H moieties and (ii) electrostatic interaction toward the triazine ring.", "doi": "10.1021/acsomega.4c06690", "pmid": "40521448", "labels": {"Swedish NMR Centre": "Service"}, "xrefs": [{"db": "pmc", "key": "PMC12163837"}], "notes": [], "created": "2025-09-10T14:22:11.304Z", "modified": "2025-10-17T13:03:52.271Z"}, {"entity": "publication", "iuid": "b2a7f65546224daea00a8771b68a18f0", "links": {"self": {"href": "https://publications.scilifelab.se/publication/b2a7f65546224daea00a8771b68a18f0.json"}, "display": {"href": "https://publications.scilifelab.se/publication/b2a7f65546224daea00a8771b68a18f0"}}, "title": "Elucidation of the Binding Orientation in \u03b12,3- and \u03b12,6-Linked Neu5Ac-Gal Epitopes toward a Hydrophilic Molecularly Imprinted Monolith.", "authors": [{"family": "Huynh", "given": "Chau Minh", "initials": "CM"}, {"family": "Mavliutova", "given": "Liliia", "initials": "L"}, {"family": "Sparrman", "given": "Tobias", "initials": "T"}, {"family": "Sellergren", "given": "B\u00f6rje", "initials": "B", "orcid": "0000-0002-2392-3305", "researcher": {"href": "https://publications.scilifelab.se/researcher/112fc959b73c48ff94d288e3971dd90b.json"}}, {"family": "Irgum", "given": "Knut", "initials": "K", "orcid": "0000-0003-3457-7564", "researcher": {"href": "https://publications.scilifelab.se/researcher/a53af6b9ed8a45748869319a088b15bf.json"}}], "type": "journal article", "published": "2023-11-21", "journal": {"title": "ACS Omega", "issn": "2470-1343", "volume": "8", "issue": "46", "pages": "44238-44249", "issn-l": "2470-1343"}, "abstract": "N-Acetylneuraminic acid and its \u03b12,3/\u03b12,6-glycosidic linkages with galactose (Neu5Ac-Gal) are major carbohydrate antigen epitopes expressed in various pathological processes, such as cancer, influenza, and SARS-CoV-2. We here report a strategy for the synthesis and binding investigation of molecularly imprinted polymers (MIPs) toward \u03b12,3 and \u03b12,6 conformations of Neu5Ac-Gal antigens. Hydrophilic imprinted monoliths were synthesized from melamine monomer in the presence of four different templates, namely, N-acetylneuraminic acid (Neu5Ac), N-acetylneuraminic acid methyl ester (Neu5Ac-M), 3'-sialyllactose (3SL), and 6'-sialyllactose (6SL), in a tertiary solvent mixture at temperatures varying from -20 to +80 \u00b0C. The MIPs prepared at cryotemperatures showed a preferential affinity for the \u03b12,6 linkage sequence of 6SL, with an imprinting factor of 2.21, whereas the \u03b12,3 linkage sequence of 3SL resulted in nonspecific binding to the polymer scaffold. The preferable affinity for the \u03b12,6 conformation of Neu5Ac-Gal was evident also when challenged by a mixture of other mono- and disaccharides in an aqueous test mixture. The use of saturation transfer difference nuclear magnetic resonance (STD-NMR) on suspensions of crushed monoliths allowed for directional interactions between the \u03b12,3/\u03b12,6 linkage sequences on their corresponding MIPs to be revealed. The Neu5Ac epitope, containing acetyl and polyalcohol moieties, was the major contributor to the sequence recognition for Neu5Ac(\u03b12,6)Gal(\u03b21,4)Glc, whereas contributions from the Gal and Glc segments were substantially lower.", "doi": "10.1021/acsomega.3c06836", "pmid": "38027366", "labels": {"Swedish NMR Centre": "Collaborative"}, "xrefs": [{"db": "pmc", "key": "PMC10666243"}], "notes": [], "created": "2023-12-01T21:36:24.981Z", "modified": "2025-10-17T13:03:53.342Z"}, {"entity": "publication", "iuid": "fea1a7e762af45b685aa05c3f27307df", "links": {"self": {"href": "https://publications.scilifelab.se/publication/fea1a7e762af45b685aa05c3f27307df.json"}, "display": {"href": "https://publications.scilifelab.se/publication/fea1a7e762af45b685aa05c3f27307df"}}, "title": "Probing the retention mechanism of small hydrophilic molecules in hydrophilic interaction chromatography using saturation transfer difference nuclear magnetic resonance spectroscopy.", "authors": [{"family": "Shamshir", "given": "Adel", "initials": "A", "orcid": "0000-0002-4321-1639", "researcher": {"href": "https://publications.scilifelab.se/researcher/9593344e98f24fc48bd7efb2710e4b9f.json"}}, {"family": "Dinh", "given": "Ngoc Phuoc", "initials": "NP"}, {"family": "Jonsson", "given": "Tobias", "initials": "T"}, {"family": "Sparrman", "given": "Tobias", "initials": "T", "orcid": "0000-0002-4442-6367", "researcher": {"href": "https://publications.scilifelab.se/researcher/f0d27dbd2f014795b1f7aa164d34bada.json"}}, {"family": "Irgum", "given": "Knut", "initials": "K", "orcid": "0000-0003-3457-7564", "researcher": {"href": "https://publications.scilifelab.se/researcher/a53af6b9ed8a45748869319a088b15bf.json"}}], "type": "journal article", "published": "2020-07-19", "journal": {"title": "Journal of Chromatography A", "issn": "1873-3778", "volume": "1623", "issue": null, "pages": "461130", "issn-l": "0021-9673"}, "abstract": "The interactions and dynamic behavior of a select set of polar probe solutes have been investigated on three hydrophilic and polar commercial stationary phases using saturation transfer difference 1H nuclear magnetic resonance (STD-NMR) spectroscopy under magic angle spinning conditions. The stationary phases were equilibrated with a select set of polar solutes expected to show different interaction patterns in mixtures of deuterated acetonitrile and deuterium oxide, with ammonium acetate added to a total concentration that mimics typical eluent conditions for hydrophilic interaction chromatography (HILIC). The methylene groups of the stationary phases were selectively irradiated to saturate the ligand protons, at frequencies that minimized the overlaps with reporting protons in the test probes. During and after this radiation, the saturation rapidly spreads to all protons in the stationary phase by spin diffusion, and from those to probe protons in contact with the stationary phase. Probe protons that have been in close contact with the stationary phase and subsequently been released to the solution phase will have been more saturated due to a more efficient transfer of spin polarization by the nuclear Overhauser effect. They will therefore show a higher signal after processing of the data. Saturation transfers to protons in neutral and charged solutes could in some instances show clear orientation patterns of these solutes towards the stationary phases. The saturation profile of formamide and its N-methylated counterparts showed patterns that could be interpreted as oriented hydrogen bond interaction. From these studies, it is evident that the functional groups on the phase surface have a strong contribution to the selectivity in HILIC, and that the retention mechanism has a significant contribution from oriented interactions.", "doi": "10.1016/j.chroma.2020.461130", "pmid": "32505268", "labels": {"Swedish NMR Centre": "Collaborative"}, "xrefs": [{"db": "pii", "key": "S0021-9673(20)30359-9"}], "notes": [], "created": "2020-11-24T09:51:04.653Z", "modified": "2025-10-17T13:03:56.768Z"}, {"entity": "publication", "iuid": "00782410bc314ed599c2f4fe0bb4d46f", "links": {"self": {"href": "https://publications.scilifelab.se/publication/00782410bc314ed599c2f4fe0bb4d46f.json"}, "display": {"href": "https://publications.scilifelab.se/publication/00782410bc314ed599c2f4fe0bb4d46f"}}, "title": "Selective Enrichment of Phosphorylated Peptides by Monolithic Polymers Surface Imprinted with bis-Imidazolium Moieties by UV-Initiated Cryopolymerization.", "authors": [{"family": "Liu", "given": "Mingquan", "initials": "M", "orcid": "0000-0002-3023-3900", "researcher": {"href": "https://publications.scilifelab.se/researcher/a078097a196043079bd64c25522b9efb.json"}}, {"family": "Torsetnes", "given": "Silje B\u00f8en", "initials": "SB"}, {"family": "Wierzbicka", "given": "Celina", "initials": "C", "orcid": "0000-0003-3741-9617", "researcher": {"href": "https://publications.scilifelab.se/researcher/46f69e0fbb164e369cc980e35fa85473.json"}}, {"family": "Jensen", "given": "Ole N\u00f8rregaard", "initials": "ON", "orcid": "0000-0003-1862-8528", "researcher": {"href": "https://publications.scilifelab.se/researcher/fbd786f4880a462c9bbd82ac8ba18471.json"}}, {"family": "Sellergren", "given": "B\u00f6rje", "initials": "B", "orcid": "0000-0002-2392-3305", "researcher": {"href": "https://publications.scilifelab.se/researcher/112fc959b73c48ff94d288e3971dd90b.json"}}, {"family": "Irgum", "given": "Knut", "initials": "K", "orcid": "0000-0003-3457-7564", "researcher": {"href": "https://publications.scilifelab.se/researcher/a53af6b9ed8a45748869319a088b15bf.json"}}], "type": "journal article", "published": "2019-08-06", "journal": {"title": "Anal. Chem.", "issn": "1520-6882", "volume": "91", "issue": "15", "pages": "10188-10196", "issn-l": "0003-2700"}, "abstract": "Reversible protein phosphorylation on serine, threonine, and tyrosine residues is essential for fast, specific, and accurate signal transduction in cells. Up to now, the identification and quantification of phosphorylated amino acids, peptides, and proteins continue to be one of the significant challenges in contemporary bioanalytical research. In this paper, a series of surface grafted monoliths in the capillary format targeting phosphorylated serine has been prepared by first synthesizing a monolithic core substrate material based on trimethylolpropane trimethacrylate, onto which a thin surface-imprinted layer was established by oriented photografting of a variety of mono- and bis-imidazolium host monomers at subzero temperature, using six different continuous or pulsed UV light sources. The imprinted monolith capillaries were evaluated in a capillary liquid chromatographic system connected to a mass spectrometer in order to test the specific retention of phosphorylated peptides. Site-specific recognition selectivity and specificity for phosphorylated serine was demonstrated when separating amino acids and peptides, proving that the optimized materials could be used as novel trapping media in affinity-based phosphoproteomic analysis.", "doi": "10.1021/acs.analchem.9b02211", "pmid": "31283183", "labels": {"Swedish NMR Centre": "Service"}, "xrefs": [], "notes": [], "created": "2019-11-22T14:29:55.044Z", "modified": "2025-10-17T13:03:57.652Z"}, {"entity": "publication", "iuid": "9141765037d7488b988d103aee65853c", "links": {"self": {"href": "https://publications.scilifelab.se/publication/9141765037d7488b988d103aee65853c.json"}, "display": {"href": "https://publications.scilifelab.se/publication/9141765037d7488b988d103aee65853c"}}, "title": "Interaction of toluene with polar stationary phases under conditions typical of hydrophilic interaction chromatography probed by saturation transfer difference nuclear magnetic resonance spectroscopy.", "authors": [{"family": "Shamshir", "given": "Adel", "initials": "A", "orcid": "0000-0002-4321-1639", "researcher": {"href": "https://publications.scilifelab.se/researcher/9593344e98f24fc48bd7efb2710e4b9f.json"}}, {"family": "Dinh", "given": "Ngoc Phuoc", "initials": "NP"}, {"family": "Jonsson", "given": "Tobias", "initials": "T"}, {"family": "Sparrman", "given": "Tobias", "initials": "T", "orcid": "0000-0002-4442-6367", "researcher": {"href": "https://publications.scilifelab.se/researcher/f0d27dbd2f014795b1f7aa164d34bada.json"}}, {"family": "Ashiq", "given": "Muhammad Jamshaid", "initials": "MJ"}, {"family": "Irgum", "given": "Knut", "initials": "K", "orcid": "0000-0003-3457-7564", "researcher": {"href": "https://publications.scilifelab.se/researcher/a53af6b9ed8a45748869319a088b15bf.json"}}], "type": "journal article", "published": "2019-03-15", "journal": {"volume": "1588", "issn": "1873-3778", "issue": null, "pages": "58-67", "title": "Journal of Chromatography A", "issn-l": "0021-9673"}, "abstract": "Toluene has been used as void volume (zero retention) marker since the inception of hydrophilic interaction chromatography (HILIC), based on the assumption that its hydrophobicity should prevent it from interacting with stationary phases envisioned to be covered by relatively thick layers of water. Recent work has shown that the void volumes of partly water-swollen HILIC phases are not identical to the volumes probed by toluene, yet the compound is still ubiquitously used as void volume marker. As part of our investigations of the retention mechanisms in HILIC, we probed the extent to which toluene is capable of penetrating into the water-enriched layer and to interact with the functional groups of three commercially available hydrophilic and polar stationary phases with different charge properties and water-retaining abilities, using saturation transfer difference 1H nuclear magnetic resonance (STD-NMR) spectroscopy at high resolution magic angle spinning (HR-MAS) conditions. The test solutions were 1000 ppm of toluene in deuterated acetonitrile and water mixtures, with and without addition of ammonium acetate, in order to mimic a set of conditions typically encountered in HILIC separations. Interactions between toluene and the functional groups on the stationary phases were probed by equilibrating the phases with these eluent mimics and measuring the transfer of magnetization from stationary phase protons to the protons of toluene. Our results show that toluene is indeed capable of traversing the water-enriched layers of all the three tested phases and of interacting with protons that are tightly associated with the stationary phases.", "doi": "10.1016/j.chroma.2018.11.028", "pmid": "30704776", "labels": {"Swedish NMR Centre": "Collaborative"}, "xrefs": [{"db": "pii", "key": "S0021-9673(18)31427-4"}], "notes": [], "created": "2019-01-03T13:28:03.016Z", "modified": "2025-10-17T13:03:58.139Z"}]}