Designing peptides that fold and assemble in response to metal ions tests our understanding of how peptide folding and metal binding influence one another. Here, histidine residues are introduced into the hydrophobic core of a coiled-coil trimer, generating ...
Cells use dynamic systems such as enzyme cascades and signaling networks to control cellular functions. Synthetic dynamic systems that can be target-responsive have great potential to be applied for biomedical applications but the operation of such dynamic ...
Isotopically labeled compounds are highly desirable as they can serve as both mechanistic probes in chemistry and diagnostic tools in medicinal research. Herein, we report an unprecedented visible-light-mediated metal-free deuteration of silanes using ...
Spontaneously aggregation of a carboxylic acid appended NDI can be retarted by intra-molecular H-bonding. With catalytic DMAP or DBU, the meta-stable monomer exhibits living supramolecular polymerization and generates ultra-thin 2D sheet.A carboxylic ...
Silicon and lithium metal are considered as promising alternatives to state-of-the-art graphite anodes for higher energy density lithium batteries because of their high theoretical capacity. However, significant challenges such as short cycle life and ...
New light on H[2] O[2] -activated prodrugs: the first α-ketoamide based prodrug opens up new alternatives for designing non-boron based H[2] O[2] -responsive promoieties.Leveraging the elevated levels of hydrogen peroxide (H[2] O[2] ) in cancer, ...
Native top-down mass spectrometry is emerging as a methodology that can be used to structurally investigate protein assemblies. To extend the possibilities of native top-down mass spectrometry to larger and more heterogeneous biomolecular assemblies, ...
Exploration of a novel structural motif of host–guest interactions is one of the most fundamental topics to develop macrocycle-based host–guest/supramolecular systems. Herein, we present an unprecedented mode of inclusion of aromatic hydrocarbons ...
The synthesis and catalytic reactivity of a class of water-tolerant cationic phosphorus-based Lewis acids is reported. Corrole-based phosphorus() cations of the type [ArP(cor)][B(C[6] F[5] )[4] ] (Ar = C[6] H[5] , 3,5-(CF[3] )[2] C[6] H[3] ; cor = 5,10,15-(C[6] ...
The ability of the hemilabile (P,N) MeDalphos ligand to trigger oxidative addition of iodoarenes to gold has been thoroughly studied. Competition experiments and Hammett correlations substantiate a clear preference of gold for electron-enriched substrates ...
We report for the first time that antimicrobial Ag[+] targets the glycolytic pathway through inhibiting the key enzyme of GAPDH.Silver has long been used as an antibacterial agent, yet its molecular targets remain largely unknown. Using a custom-designed ...
In this work, we present a general route to hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Molecular Dynamics for complex systems using a polarizable embedding. We extend the capabilities of our hybrid framework, combining the Gaussian and Tinker/Tinker-HP ...
One enzyme, one substrate, but two different reaction mechanisms: HIV-1 protease follows different reaction mechanisms depending on its instantaneous conformation.The role of conformational diversity in enzyme catalysis has been a matter of analysis ...
Multiphoton bioimaging benefits from good penetration of tissue, low phototoxicity and high resolution. Hence, development of efficient multiphoton imaging agents is highly desirable but remains challenging. Herein, a novel terpyridine-based Zn() complex ...
Lanthanide ions when complexed by polyamino-polycarboxylate chelators form a class of compounds of paramount importance in several research and technological areas, particularly in the fields of magnetic resonance and molecular magnetism. Indeed, the ...
A regioselective and enantioselective palladium-catalyzed relay Heck alkenylation of alkenylbenzene derivatives to construct remote stereocenters is disclosed. Various β-substituted styrenes were readily obtained in moderate yields with good to ...
We report a mild approach to the synthesis of difluoro(aryl)-λ[3] -iodanes (aryl-IF[2] compounds) and tetrafluoro(aryl)-λ[5] -iodanes (aryl-IF[4] compounds) using trichloroisocyanuric acid (TCICA) and potassium fluoride (KF). Under these ...
The S∴π hemibond (two-center three-electron, 2c-3e, bond) is an attractive interaction between a sulfur atom and π electrons. The S∴π hemibond is of essential importance in understanding chemistry of sulfur radical ...
The synthesis of unsymmetrical axle [2]rotaxanes through a recently developed Ni-catalyzed C(sp[3] )–C(sp[3] ) cross-coupling of redox-active esters (formed directly from carboxylic acids) and organozinc reagents (derived from alkyl bromides) ...
New, air-stable inorganic soft materials are accessible under mild conditions via TEMPO-mediated radical hydrophosphination of alkenes using polyphosphinoboranes.Polymers with a phosphorus-boron main chain have attracted interest as novel inorganic materials ...
Although DNA computing has exhibited a magical power across diverse areas, current DNA logic gates with different functions are always separately operated and can only produce hard-to-visualize output. The fussy/obligatory gates
Radiotherapy (RT) is one of the most effective and frequent clinical cancer treatments. Nevertheless, RT can cause damage to normal tissues around tumors under high-dose ionizing radiation. Inspired by versatile metal-based nanomaterials, great efforts ...
The aquaglyceroporin GlpF is a member of the aquaporin family. It selectively conducts small molecules, such as glycerol, across the cell membrane under a concentration gradient of the substrate. Atomistic molecular dynamics (MD) simulation would provide ...
A new strategy has been developed for characterization of the most challenging complex mixtures to date, using a combination of custom-designed experiments and a new data pre-processing algorithm. In contrast to traditional methods, the approach enables ...
Chenoweth and co-workers provide an atomic resolution crystal structure and computational analysis illustrating that aza-proline mimics -proline stereochemistry in collagen.The prevalence of -amino acids in biomolecules has been shown to have teleological ...