Synthesis and computational investigation of molecularly imprinted nanospheres for selective recognition of alpha-tocopherol succinate

Molecularly imprinted polymers (MIPs) are macromolecular matrices that can mimic the functional properties of antibodies, receptors and enzymes while possessing higher durability. As such, these polymers are interesting materials for applications in biomimetic sensor, drug synthesis, drug delivery and separation. In this study, we prepared MIPs and molecularly imprinted nanospheres (MINs) as receptors with specific recognition properties toward tocopherol succinate (TPS) in comparison to tocopherol (TP) and tocopherol nicotinate (TPN). MIPs were synthesized using methacrylic acid (MAA) as functional monomer, ethylene glycol dimethacrylate (EGDMA) as crosslinking agent and dichloromethane or acetronitrile as porogenic solvent under thermal-induced polymerization condition. Results indicated that imprinted polymers of TPS-MIP, TP-MIP and TPN-MIP all bound specifically to their template molecules at 2 folds greater than the non-imprinted polymers. The calculated binding capacity of all MIP was approximately 2 mg per gram of polymer when using the optimal rebinding solvent EtOH:H2O (3:2, v/v). Furthermore, the MINs toward TPS and TP were prepared by precipitation polymerization that yielded particles that are 200-400 nm in size. The binding capacities of MINs to their templates were greater than that of the non-imprinted nanospheres when using the optimal rebinding solvent EtOH:H2O (4:1, v/v). Computer simulation was performed to provide mechanistic insights on the binding modalities of template-monomer complexes. In conclusion, we had successful prepared MIPs and MINs for binding specifically to TP and TPS. Such MIPs and MINs have great potential for industrial and medical applications, particularly for the selective separation of TP and TPS

Vasorelaxant and Antioxidant Activities of Spilanthes acmella Murr.

This study reports the effect of Spilanthes acmella Murr. extracts on phenylephrine-induced contraction of rat thoracic aorta as well as their antioxidant activity. Results show that the extracts exert maximal vasorelaxations in a dose-dependent manner, but their effects are less than acetylcholine-induced nitric oxide (NO) vasorelaxation. Significant reduction of vasorelaxations is observed in both NG-nitro-l-arginine methyl ester (l-NAME) and indomethacin (INDO). In the presence of l-NAME plus INDO, synergistic effects are observed, leading to loss of vasorelaxation of both acetylcholine and the extracts. Similarly, the vasorelaxations of the extracts are completely abolished upon the removal of endothelial cells. This demonstrates that the extracts exhibit vasorelaxation via partially endothelium-induced NO and prostacyclin in a dose-dependent manner. Significantly, the ethyl acetate extract exerts immediate vasorelaxation (ED50 76.1 ng/mL) and is the most potent antioxidant (DPPH assay). The chloroform extract shows the highest vasorelaxation and antioxidation (SOD assay). These reveal a potential source of vasodilators and antioxidants

A simple method for creating molecularly imprinted polymer-coated bacterial cellulose nanofibers

AbstractMolecularly imprinted polymer-coated bacterial cellulose nanofibers have been prepared by immersing solvent treated-bacterial cellulose into a dilute pre-polymerization mixture solution prior to the polymerization process. The quercetin-imprinted polymer coating bacterial cellulose (QIP-BC) nanofibers show discrete nanoparticles encapsulated along the BC nanofibers. The binding capacity of dried QIP-BC was approximately 3 mg per gram of the polymer. The obtained results indicated that QIP-BC nanofibers provided a three fold higher recognition ability for quercetin than quercetin-imprinted nanospheres. This technique can be easily used to combine two fascinating materials like BC nanofibers and molecularly imprinted polymers (MIPs) to afford promising polymer composites that are useful in various innovative applications in biomedical, pharmaceutical, and industrial sectors.</jats:p

Correction: Shoombuatong, W., et al. iQSP: A Sequence-Based Tool for the Prediction and Analysis of Quorum Sensing Peptides via Chou’s 5-Steps Rule and Informative Physicochemical Properties. Int. J. Mol. Sci. 2020, 21, 75

The authors wish to make the following corrections to this paper: [...]</jats:p

Correction: Shoombuatong, W., et al. iQSP: A Sequence-Based Tool for the Prediction and Analysis of Quorum Sensing Peptides via Chou’s 5-Steps Rule and Informative Physicochemical Properties. Int. J. Mol. Sci. 2020, 21, 75

The authors wish to make the following corrections to this paper: [...

iQSP: A Sequence-Based Tool for the Prediction and Analysis of Quorum Sensing Peptides Using Informative Physicochemical Properties

Understanding of quorum-sensing peptides (QSPs) in their functional mechanism plays an essential role in finding new opportunities to combat bacterial infections by designing drugs. With the avalanche of the newly available peptide sequences in the post-genomic age, it is highly desirable to develop a computational model for efficient, rapid and high-throughput QSP identification purely based on the peptide sequence information alone. Although, few methods have been developed for predicting QSPs, their prediction accuracy and interpretability still requires further improvements. Thus, in this work, we proposed an accurate sequence-based predictor (called iQSP) and a set of interpretable rules (called IR-QSP) for predicting and analyzing QSPs. In iQSP, we utilized a powerful support vector machine (SVM) cooperating with 18 informative features from physicochemical properties (PCPs). Rigorous independent validation test showed that iQSP achieved maximum accuracy and MCC of 93.00% and 0.86, respectively. Furthermore, a set of interpretable rules IR-QSP was extracted by using random forest model and the 18 informative PCPs. Finally, for the convenience of experimental scientists, the iQSP web server was established and made freely available online. It is anticipated that iQSP will become a useful tool or at least as a complementary existing method for predicting and analyzing QSPs.</jats:p