Publicação
Solution-phase ITC validation of literature-reported Glyphosate DNA Aptamers: Affinity ranking and an operational selectivity boundary
| datacite.subject.fos | Ciências Naturais::Ciências Biológicas | |
| datacite.subject.sdg | 03:Saúde de Qualidade | |
| dc.contributor.author | Sun, Jingchun | |
| dc.contributor.author | Zhang, Linbing | |
| dc.contributor.author | Goncalves, David | |
| dc.contributor.author | Kuang, Shaoping | |
| dc.contributor.author | Yang, Hongsheng | |
| dc.date.accessioned | 2026-09-25T15:13:21Z | |
| dc.date.available | 2026-09-25T15:13:21Z | |
| dc.date.issued | 2026-05-12 | |
| dc.description.abstract | Glyphosate is a highly polar herbicide, the reliable molecular recognition of which is complicated by co-occurring structural analogues, metabolites, and derivatives in real-world samples. Rather than reporting new aptamer discovery, this study establishes a standardized, solution-phase isothermal titration calorimetry (ITC) workflow to thermodynamically reassess two literature-reported glyphosate DNA aptamers, Seq03 and Seq05, under matched buffer composition and instrument settings. After verification of baseline stability and evaluation of heat-of-dilution contributions, ligand-to-aptamer titrations yielded apparent dissociation constants of approximately 8.14 μM for Seq03 and 40.2 μM for Seq05, enabling affinity-based prioritization of these reported candidates within the tested concentration window. To define an application-relevant selectivity boundary, we further constructed a counter-screen panel restricted to glyphosate-related chemicals, including structural analogues, metabolites, and derivatives, and evaluated all candidates using an identical ITC protocol with explicit background handling. None of the counter-screen compounds produced binding-consistent, saturable isotherms after integration and control-based interpretation; instead, their responses remained close to background heat and were therefore operationally classified as having no detectable binding under the tested conditions, including a reverse-titration format check with Glufosinate-N-acetyl. Collectively, these results position ITC as a label-free, platform-independent validation step for small-molecule aptamer benchmarking prior to analytical translation, while also highlighting that the present conclusions are bounded by the tested PBS-based conditions and the sensitivity window of the current ITC configuration. | eng |
| dc.identifier.citation | Sun, J., Zhang, L., Gonçalves, D., Kuang, S., & Yang, H. (2026b). Solution-Phase ITC validation of Literature-Reported glyphosate DNA aptamers: affinity ranking and an operational selectivity boundary. Physchem, 6(2), 27. https://doi.org/10.3390/physchem6020027 | |
| dc.identifier.doi | 10.3390/physchem6020027 | |
| dc.identifier.issn | 2673-7167 | |
| dc.identifier.uri | http://hdl.handle.net/10400.12/14083 | |
| dc.language.iso | eng | |
| dc.peerreviewed | yes | |
| dc.publisher | MDPI AG | |
| dc.relation.ispartof | Physchem | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | Glyphosate | |
| dc.subject | DNA aptamer | |
| dc.subject | Isothermal titration calorimetry | |
| dc.subject | solution-phase validation | |
| dc.subject | Thermodynamic reassessment | |
| dc.subject | Affinity ranking | |
| dc.subject | Counter-screening | |
| dc.subject | Selectivity boundary | |
| dc.title | Solution-phase ITC validation of literature-reported Glyphosate DNA Aptamers: Affinity ranking and an operational selectivity boundary | eng |
| dc.type | journal article | |
| dspace.entity.type | Publication | |
| oaire.citation.issue | 2 | |
| oaire.citation.title | Physchem | |
| oaire.citation.volume | 6 | |
| oaire.version | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |
| person.familyName | Goncalves | |
| person.givenName | David | |
| person.identifier.ciencia-id | 331D-3437-C4CD | |
| person.identifier.orcid | 0000-0001-6851-7215 | |
| person.identifier.rid | L-3514-2016 | |
| person.identifier.scopus-author-id | 7005392651 | |
| relation.isAuthorOfPublication | 27b0d293-10b6-4dbb-8036-398892702e14 | |
| relation.isAuthorOfPublication.latestForDiscovery | 27b0d293-10b6-4dbb-8036-398892702e14 |