Results 111 to 120 of about 2,891,661 (273)
Structural and Mechanistic Studies of γ-Fe2O3 Nanoparticle as Hydroxyurea Drug Nanocarrier
Orbital: The Electronic Journal of Chemistry, 2019 In this study, the noncovalent interactions and four mechanisms of covalent functionalization of hydroxyurea have been examined using the density functional theory. Quantum molecular descriptors were also studied in noncovalent interactions.
Sadaf Avarand +3 more
doaj
σ-Hole Interactions: Perspectives and Misconceptions
Crystals, 2017 After a brief discussion of the σ-hole concept and the significance of molecular electrostatic potentials in noncovalent interactions, we draw attention to some common misconceptions that are encountered in that context: (1) Since the electrostatic ...
Peter Politzer, Jane S. Murray
doaj +1 more source
Advanced Science, EarlyView.A supramolecular pyroptotic thermal switch encapsulates I3− within β‐cyclodextrin (β‐CD) and undergoes CaCO3 mineralization. Upon lysosomal acidification, CaCO3 is degraded, releasing Ca2+ and I3−. Concurrently, BODIPY activation converts I3− into I2, inducing oxidative stress and Ca2+ overload, which together trigger caspase‐3/GSDME‐mediated ...
Dan Wu +8 more
wiley +1 more source
Teaching noncovalent interactions using protein molecular evolution
, 2008 Noncovalent interactions and physicochemical properties of amino acids are important topics in biochemistry courses. Here, we present a computational laboratory where the capacity of each of the 20 amino acids to maintain different noncovalent ...
Parisi, Gustavo Daniel +2 more
core +1 more source
Advanced Science, EarlyView.A bio‐inspired side‐chain branching strategy is developed to orchestrate a dual noncovalent conformational locking (NoCL) network, enabling the construction of perfectly planar NIR‐II phototheranostic aggregates. Such structural precision maximizes light‐harvesting efficiency and optimizes exciton dynamics, ensuring synchronized enhancements in NIR‐II ...
Cheng Lu +11 more
wiley +1 more source
Design of artificial metalloproteins/metalloenzymes by tuning noncovalent interactions [PDF]
, 2018 Noncovalent weak interactions [hydrophobic interaction and hydrogen (H)-bond] play crucial roles in controlling the functions of biomolecules, and thus have been used to design artificial metalloproteins/metalloenzymes during the past few decades.
4 +4 more
core +1 more source
Advanced Science, EarlyView.We demonstrate programmable structural symmetry and emission in benzylammonium‐based low‐dimensional hybrid perovskites. Continuous shaking transforms orthorhombic platelets into a lower‐symmetry monoclinic phase with broadband emission, whereas thermal activation drives the reverse pathways toward a higher‐symmetry configuration resembling the ...
Luiz G. Bonato +7 more
wiley +1 more source
Strategy To Form Eutectic Molecular Liquids Based on Noncovalent Interactions
, 2019 The concept of eutectic molecular liquids (EMLs) was defined, and a strategy to form EMLs based on noncovalent interactions was proposed. We verified the formation and investigated the properties, interaction sites, and interaction energies of the ...
Tiancheng Mu (1319817) +3 more
core +1 more source
AI Designed Conformation Locking Peptides Target STING to Restore Diabetic Wound Healing
Advanced Science, EarlyView.A generative AI pipeline identifies SCP‐1, a conformation‐locking peptide that stabilizes inactive STING. Incorporated into a dual‐responsive hydrogel for localized, MMP‐9‐triggered release, SCP‐1 suppresses inflammation, promotes reparative macrophage polarization, and accelerates diabetic wound healing.
Xinyu Li +8 more
wiley +1 more source
Robust Photocatalytic Hydrogen Evolution Over a Conjugated Metal‐Organic Framework Heterojunction
Advanced Science, EarlyView.We report a conjugated coordination polymer, Cd‐TMT (TMT = 1,3,5‐trimercaptotriazine), featuring an intrinsic molecular‐level charge transport network. The conjugated TMT ligands facilitate strong intra‐ligand charge transfer, while their ordered π‐π stacking along the [111] direction establishes a continuous pathway for directional electron migration,
Chunzhe Wang +6 more
wiley +1 more source