Engineered Metal–Organic Frameworks‐Based Materials for Environmental Detection
Engineered metal–organic frameworks (MOFs) regulated by various material modification strategies are discussed for environmental contaminant detection under different sensing mechanisms, providing future improvements of MOFs in environmental detection. Sensitive and selective detection of contaminants is crucial for environmental protection.
Pan Gao +3 more
wiley +1 more source
The interlocking process in molecular machines explained by a combined approach: the nudged elastic band method and machine learning potential. [PDF]
Peña-Zarate L, Vela A, Tiburcio J.
europepmc +1 more source
An Exploration of Vinamidinium Salts for Frame‐Shifted Synthesis
Oligoheterocycles are widely used in drug discovery and materials science, where they serve as attractive alternatives to peptide fragments. There is strong interest in understanding the structural correspondence between heterocycles and amino acid motifs to recapitulate key binding elements while improving metabolic stability.
Morgan J. Cordell +3 more
wiley +1 more source
Chirally locked and dynamic bis-perylene diimide macrocycles with multiple sources of chirality. [PDF]
Hartmann D, Penty SE, Pal R, Barendt TA.
europepmc +1 more source
From Prebiotic Catalysts to Modern Applications: How Early Catalysts Inspire Today's Innovations
Simple catalytic systems that may have operated under prebiotic conditions offer useful molecular principles for the design of modern functional materials. By examining how amino acids, peptide assemblies, and metal complexes achieve catalysis through simple chemical features, this review highlights how prebiotic chemistry can inspire new strategies ...
Omer Agazani, Meital Reches
wiley +1 more source
Ca<sup>2+</sup>-Driven Protein Compaction Tunes NIR Absorption in the Thermophilic Purple Bacterial LH1. [PDF]
Fujimoto KJ +3 more
europepmc +1 more source
ABSTRACT To enhance drug discovery efforts, medicinal chemists should evaluate, filter, and utilize relevant structural information about target proteins. Acquiring and interpreting protein structures is crucial for elucidating ligand‐receptor interactions and addressing ADME‐related considerations, making it an essential aspect of medicinal chemistry.
Matteo Rossi Sebastiano +4 more
wiley +1 more source
Predictive machine learning models for rational permeability design in de novo macrocycle engineering: a review. [PDF]
Albrijawi MT, Alhajj R.
europepmc +1 more source
Herein, we report the first example of the formation of a close‐packed, regular 2D monolayer of a fivefold symmetric cyanostar macrocycle on an Au(111) surface under ultra‐high vacuum and the structural modification of such self‐assembled architecture upon cobalt atom deposition.
Lenka Černá +11 more
wiley +1 more source
Dipyridinophane ligands - synthesis and coordination study. [PDF]
Kuncová L +4 more
europepmc +1 more source

