ArticleScientific reports2016
Evidences for Cooperative Resonance-Assisted Hydrogen Bonds in Protein Secondary Structure Analogs.
Article in Scientific reports, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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14 citing papers in PubMed, 47 citations in OpenAlex.
- Organic Salts as Supramolecular Hosts with Various Applications.ACS omega · 2025Review
- Negative cooperativity in the formation of H-bond networks involving primary anilines.Chemical science · 2024Article
- Molecular pathogenesis of a novel Met394Thr variant causing hemophilia B.Molecular genetics & genomic medicine · 2023Article
- Weak Interactions in Dimethyl Sulfoxide (DMSO)-Tertiary Amide Solutions: The Versatility of DMSO as a Solvent.The journal of physical chemistry. B · 2023Article
- Revealing the Reasons for Degeneration of Resonance-Assisted Hydrogen Bond on the Aromatic Platform: Calculations of Ortho-, Meta-, Para-Disubstituted Benzenes, and (Molecules (Basel, Switzerland) · 2023Article
- Interaction of Phospholipid, Cholesterol, Beta-Carotene, and Vitamin C Molecules in Liposome-Based Drug Delivery Systems: AnAdvances in pharmacological and pharmaceutical sciences · 2023Article
- Detecting the Hydrogen Bond Cooperativity in a Protein β-Sheet by H/D Exchange.International journal of molecular sciences · 2022Article
- Resonance-Assisted Hydrogen Bond-Revisiting the Original Concept in the Context of Its Criticism in the Literature.International journal of molecular sciences · 2021Article
- How Substitution Combines with Non-Covalent Interactions to Modulate 1,4-Naphthoquinone and Its Derivatives Molecular Features-Multifactor Studies.International journal of molecular sciences · 2021Article
- QM/MM Simulations of Enzymatic Hydrolysis of Cellulose: Probing the Viability of an Endocyclic Mechanism for an Inverting Cellulase.Journal of chemical information and modeling · 2021Article
- Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.Chemical science · 2020Article
- Hybrid polymers bearing oligo-l-lysine(carboxybenzyl)s: synthesis and investigations of secondary structure.RSC advances · 2020Article
- Strong Short-Range Cooperativity in Hydrogen-Bond Chains.Angewandte Chemie (International ed. in English) · 2017Article
- Hydrogen bond design principles.Wiley interdisciplinary reviews. Computational molecular scienceArticle
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Authors and funding
6 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Cooperative behaviors of the hydrogen bonding networks in proteins have been discovered for a long time. The structural origin of this cooperativity, however, is still under debate. Here we report a new investigation combining excess infrared spectroscopy and density functional theory calculation on peptide analogs, represented by N-methylformamide (NMF) and N-methylacetamide (NMA). Interestingly, addition of the strong hydrogen bond acceptor, dimethyl sulfoxide, to the pure analogs caused opposite effects, namely red- and blue-shift of the N-H stretching infrared absorption in NMF and NMA, respectively. The contradiction can be reconciled by the marked lowering of the energy levels of the self-associates between NMA molecules due to a cooperative effect of the hydrogen bonds. On the contrary, NMF molecules cannot form long-chain cooperative hydrogen bonds because they tend to form dimers. Even more interestingly, we found excellent linear relationships between changes on bond orders of N-H/N-C/C = O and the hydrogen bond energy gains upon the formation of hydrogen bonding multimers in NMA, suggesting strongly that the cooperativity originates from resonance-assisted hydrogen bonds. Our findings provide insights on the structures of proteins and may also shed lights on the rational design of novel molecular recognition systems.
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