OPEN :: Home

Recent Submissions

Item

Investigation of Peptides for Molecular Recognition of C-Reactive Protein–Theoretical and Experimental Studies

(American Chemical Society, 2023) Szot-Karpińska, Katarzyna; Kudła, Patryk; Orzeł, Urszuła; Narajczyk, Magdalena; Jönsson-Niedziółka, Martin; Pałys, Barbara; Filipek, Sławomir; Ebner, Andreas; Niedziółka-Jönsson, Joanna; Institute of Physical Chemistry, Polish Academy of Sciences; University of Warsaw; University of Gdansk; Johannes Kepler University

We investigate the interactions between C-reactive protein (CRP) and new CRP-binding peptide materials using experimental (biological and physicochemical) methods with the support of theoretical simulations (computational modeling analysis). Three specific CRP-binding peptides (P2, P3, and P9) derived from an M13 bacteriophage have been identified using phage-display technology. The binding efficiency of the peptides exposed on phages toward the CRP protein was demonstrated via biological methods. Fibers of the selected phages/peptides interact differently due to different compositions of amino acid sequences on the exposed peptides, which was confirmed by transmission electron microscopy. Numerical and experimental studies consistently showed that the P3 peptide is the best CRP binder. A combination of theoretical and experimental methods demonstrates that identifying the best binder can be performed simply, cheaply, and fast. Such an approach has not been reported previously for peptide screening and demonstrates a new trend in science where calculations can replace or support laborious experimental techniques. Finally, the best CRP binder─the P3 peptide─was used for CRP recognition on silicate-modified indium tin oxide-coated glass electrodes. The obtained electrodes exhibit a wide range of operation (1.0–100 μg mL–1) with a detection limit (LOD = 3σ/S) of 0.34 μg mL–1. Moreover, the dissociation constant Kd of 4.2 ± 0.144 μg mL–1 (35 ± 1.2 nM) was evaluated from the change in the current. The selectivity of the obtained electrode was demonstrated in the presence of three interfering proteins. These results prove that the presented P3 peptide is a potential candidate as a receptor for CRP, which can replace specific antibodies.

Item

From Flask to Mill: Reductive Functionalization of Fluoroacetamides as a Case Study for Transferring Solvent-Based Reactions to the Solid State

(American Chemical Society, 2022) Czerwiński, Paweł J.; Najczuk, Justyna J.; Furman, Bartłomiej; Institute of Organic Chemistry, Polish Academy of Sciences

The development of sustainable methods is a central focus of modern organic synthesis and has applications in various areas of the chemical industry. Mechanochemistry is a highly desirable green synthetic method as it departs from traditional solution-based reactions and their concurrent generation of waste solvent. Here, we report results of the adaptation of a solution-based method for the reductive functionalization of fluoroacetamides to a mechanochemical protocol as a case study. This greener solid-state, one-pot strategy is based on the partial reduction of amides by an in situ mechanochemically generated zirconocene chloride hydride (Schwartz’s reagent) and tandem nucleophilic addition of indole to afford high-value functionalized fluorinated amines in moderate to good yields. In addition to it being the first time this reductant has been mechanochemically generated, the sustainable approach was complemented by operationally simple purification by an acidic resin. Significant improvements in green metrics (E factor and EcoScale) were observed by this adaptation of the methodology.

OPEN Repository

22962 archived items

Institutional Communities

Recent Submissions

Browse by

Date

Author

Affiliation

Subject

Publisher

License