Results 171 to 180 of about 2,891,661 (273)

Interplay of Noncovalent Interactions in Phase Separation Mediated by Tyrosine-Rich and Arginine-Rich Polypeptides. [PDF]

J Am Chem Soc
Xu R, Wang R, Qiu C, Niu J, Bates DM, Abbott NL, Gellman SH.   +6 more
europepmc   +1 more source

Should I Stay or Should I Go—Leveraging an Overlooked Feature of Click‐to‐Release Chemistry for Affinity Labeling

Angewandte Chemie, EarlyView.
Click‐to‐release (C2R) chemistry is redirected from payload liberation toward ligand‐directed covalent protein labeling through a transient dihydropyridazine methide (DHP‐methide). This concept opens the way to dual‐functional systems combining covalent target engagement with controlled effector release.
Dóra Kern, Krisztina Németh, Tímea Imre, József Simon, Kitti Meggyes, Gergő Bárdos, László Petri, Márton Bojtár, Attila Kormos, Péter Kele   +9 more
wiley   +2 more sources

Accurate density functional theory for noncovalent interactions in charged systems. [PDF]

Sci Adv
Zhao H, Lőrincz BD, Henkes T, Berta D, Nagy PR, Tkatchenko A, Vuckovic S.   +6 more
europepmc   +1 more source

Deprotonation and Alkylation of Weakly Acidic C(sp3)─H Bonds Through In Situ Generation of a Strong Hydride Base From 1,1,3,3‐Tetramethyldisiloxane and Potassium tert‐Butoxide

Angewandte Chemie, EarlyView.
The use of 1,1,3,3‐tetramethyldisiloxane (TMDSO) and potassium tert‐butoxide enables direct alkylation of weakly acidic carbon–hydrogen bonds with alkyl halides. Experimental and computational studies support the formation of a substrate‐associated hydride‐like base, providing a single‐step alternative to the classical deprotonation and electrophile ...
Piers St. Onge, Brandon White, Han Yao, Travis Dudding, Stephen G. Newman   +4 more
wiley   +2 more sources

Machine Learning Methods for Protein-Protein Interaction Prediction Based on Noncovalent Interactions. [PDF]

ACS Omega
Feng H, Sun X, Li Q, Zhang S, Xing G, Zhang G, Wang F.   +6 more
europepmc   +1 more source

A Mechanical sp2‐Jail for C60 Fullerene

Angewandte Chemie, EarlyView.
A rigid bisporphyrin receptor with an exceptionally compact 3D cavity functions as a molecular “mechanical jail”, tightly enclosing C60 fullerene. Near‐perfect shape complementarity affords ultrahigh binding affinity while imposing a large kinetic barrier for guest exchange, rendering encapsulation effectively irreversible under ambient conditions ...
A. Priscila Gia, Fernando G. Guijarro, Pau Armada, Daniel Aranda, Josefina Perles, Enrique Ortí, Juan Aragó, David González‐Rodríguez, Alberto de Juan   +8 more
wiley   +2 more sources

Supramolecular Mechanophore Additives Enable Mechanochromic Hydrogels

Angewandte Chemie, EarlyView.
A supramolecular loop‐forming mechanophore featuring a quencher and an emitter is incorporated as a water‐soluble macromolecular additive into hydrogels. In the stress‐free state, intramolecular charge‐transfer interactions fold the loop and quench fluorescence.
Iulia Scarlat, Jess M. Clough, Christoph Weder   +2 more
wiley   +2 more sources

Correction to "Noncovalent Interactions in Density Functional Theory: All the Charge Density We Do Not See". [PDF]

J Am Chem Soc
Khabibrakhmanov A, Gori M, Müller C, Tkatchenko A.   +3 more
europepmc   +1 more source

Dopant‐Tailored Matrices: A Crystal Engineering Strategy for Organic Room‐Temperature Phosphorescent Host–Guest Systems and Beyond

Angewandte Chemie, EarlyView.
Rather than selecting dopants to match a pre‐existing host matrix, the dopant‐tailored matrix strategy involves rational engineering of host matrices around a preselected class of dopants by targeting matrix packing motifs that promote synergistic host‐dopant interactions upon doping.
Catherine Demangeat, Raphael Rullan, Yipeng Tang, Bin Hu, Anthony D'Aléo, Tangui Le Bahers, Mohammad Esmail Alikhani, André‐Jean Attias   +7 more
wiley   +2 more sources

Topographic Steric Maps and Noncovalent Interactions of Dinuclear Silicon-Bridged Bis(indenyl)zirconocene Cations: Insights from DFT. [PDF]

ACS Omega
Jitonnom W, Linnolahti M, Jitonnom J.
europepmc   +1 more source