Electric field modulated peptide based hydrogel nanocatalysts

Saikia, Jahnu; Dharmalingam, K.; Anandalakshmi, R.; Redkar, Amay Sanjay; Bhat, Venugopal T.; Ramakrishnan, Vibin

doi:10.1039/d1sm00724f

Cited by 15 publications

(9 citation statements)

References 85 publications

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“…For one thing, when the assembly unit compound 3 was incorporated into the G-assemblies, proline was aligned on the peripheral of the assembly, which subsequently worked as the catalytic sites. The G-quartets were orderly stacked with a 3.3 Å spacing between the layer with a twist, which could provide an important structure in creating local environments amenable for enantioselective catalysis through opportune steric hindrance. , For another, the hydrophobic cavities in the supramolecular assembly around the catalytic sites can significantly stabilize transition states through hydrophobic interaction . This point is very important for the catalytic reaction in water.…”

Section: Resultsmentioning

confidence: 99%

“…21,28 For another, the hydrophobic cavities in the supramolecular assembly around the catalytic sites can significantly stabilize transition states through hydrophobic interaction. 44 This point is very important for the catalytic reaction in water. Then, the more favored attack of the aldehyde on the anti-enamine was more stabilized because the hydrophobic aldehyde lies in the hydrophobic region.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Guanosine Borate Hydrogel and Self-Assembled Nanostructures Capable of Enantioselective Aldol Reaction in Water

et al. 2022

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A guanosine-based hydrogel formed by the self-assembly of guanosine and 4-((l-prolinamide)methyl)phenylboronic acid was constructed. The G quartets were selectively stabilized by K+ ions to form a self-supporting transparent hydrogel. These guanosine-derived assemblies were used to catalyze the aldol reaction in water without any additives, affording desirable conversion and enantioselectivity of the product. The controlled assays of small-molecule components indicated that the stable assemblies were the definite species that achieved high enantioselective catalysis. The current catalytic system can be readily recovered by simple extraction and still acquired good performance of the reaction after four cycles.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Results and Discussionmentioning

confidence: 99%

Guanosine Borate Hydrogel and Self-Assembled Nanostructures Capable of Enantioselective Aldol Reaction in Water

et al. 2022

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“…In this context, even weak E-fields (~10 À 5 V/nm) have been shown to enhance the catalytic efficiency and stereo-selectivity of tripeptide hydrogels. [12] Finally, orienting proteins using static Efields is useful in applications ranging from basic structure determination to improving the biocompatibility of medical implants. [13,14] Computational methods can provide complementary high resolution insights on the structure, dynamics, and function of proteins under applied E-fields to help develop this emerging and exciting research direction.…”

Section: Introductionmentioning

confidence: 99%

Capturing the Polarization Response of Solvated Proteins under Constant Electric Fields in Molecular Dynamics Simulations

Chakraborty

Venkatramani

2022

ChemPhysChem

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We capture and compare the polarization response of a solvated globular protein ubiquitin to static electric (E‐fields) using atomistic molecular dynamics simulations. We collectively follow E‐field induced changes, electrical and structural, occurring across multiple trajectories using the magnitude of the protein dipole vector (Pp). E‐fields antiparallel to Pp induce faster structural changes and more facile protein unfolding relative to parallel fields of the same strength. While weak E‐fields (0.1–0.5 V/nm) do not unfold ubiquitin and produce a reversible polarization, strong E‐fields (1–2 V/nm) unfold the protein through a pathway wherein the helix:β‐strand interactions rupture before those for the β1‐β5 clamp. Independent of E‐field direction, high E‐field induced structural changes are also reversible if the field is switched off before Pp exceeds 2 times its equilibrium value. We critically examine the dependence of water properties, protein rotational diffusion and E‐field induced protein unfolding pathways on the thermostat/barostat parameters used in our simulations.

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“…Aromatic π–π interaction or π stacking involves interaction of aromatic molecules, resulting in the formation of self-assembled molecules − which can be fabricated for various applications such as catalysts, aggregation disruptors, nanodots, and artificial enzymes . Our laboratory has earlier reported a novel organic molecule 1,2-bis(tritylthio)ethane which forms a rare organic nano-flower showing magnetic properties. , The nano-assembly was coated with magnetite nanoparticles to synthesize a functional trityl-magnetite hybrid material, which has resulted into a potent nano-adsorbent for the removal of toxic and heavy metal.…”

Section: Introductionmentioning

confidence: 99%

“…Aromatic π–π interaction or π stacking involves interaction of aromatic molecules, resulting in the formation of self-assembled molecules 21 − 24 which can be fabricated for various applications such as catalysts, 25 aggregation disruptors, 26 nanodots, 27 and artificial enzymes. 28 Our laboratory has earlier reported a novel organic molecule 1,2-bis(tritylthio)ethane which forms a rare organic nano-flower showing magnetic properties.…”

Section: Introductionmentioning

confidence: 99%

Efficient Biosorption of Hexavalent Chromium from Water with Human Hair

2022

Self Cite

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The triphenyl group (trityl radical) possessing three-phenyl rings, self-assembled through aromatic π–π stacking interactions, can form interesting crystalline organic nano-flowers. In this work, we have synthesized a hybrid material of 1,2-bis(tritylthio)ethane and magnetite, which reduces toxic Cr(VI) to non-toxic Cr(III). We validated the efficacy of the hybrid in reducing toxic Cr(VI) along with three other adsorbent systems. Among the five adsorbent systems tested, we observed that human hair has higher Cr removal efficiency, which prompted us to explore further using different mechanical forms of human hair. Pulverized hair (PH), hair powder (HP), and raw hair (RH) were evaluated by employing different reaction factors such as the adsorbent dose, pH, initial Cr(VI) concentration, and contact time. The comparative evaluation showed that PH has greater adsorption capacity (15.14 mg/g), followed by RH (13.27 mg/g) and HP (10.5 mg/g). While investigating the adsorption mechanism, we observed that it follows pseudo-second-order kinetics suggesting chemisorption. The Freundlich isotherm model fitted well for Cr(VI) adsorption by human hair, suggesting a multi-layered adsorption process. Overall, this study promises a cost-effective and eco-friendly bio-adsorbent for Cr(VI), which may be scaled up to design automated industrial waste disposal systems.

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Electric field modulated peptide based hydrogel nanocatalysts

Abstract: The ability to modulate self-assembly is the key to manufacture application-oriented materials. In this study, we investigated the effect of three independent variables that can modulate the catalytic activity of...

Cited by 15 publications

References 85 publications

Guanosine Borate Hydrogel and Self-Assembled Nanostructures Capable of Enantioselective Aldol Reaction in Water

Guanosine Borate Hydrogel and Self-Assembled Nanostructures Capable of Enantioselective Aldol Reaction in Water

Capturing the Polarization Response of Solvated Proteins under Constant Electric Fields in Molecular Dynamics Simulations

Efficient Biosorption of Hexavalent Chromium from Water with Human Hair

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