Results 51 to 60 of about 84,757 (292)

Molecular Engineering of β-Substituted Oxoporphyrinogens for Hydrogen-Bond Donor Catalysis [PDF]

, 2019
A new class of bifunctional hydrogen-bond donor organocatalyst using oxoporphyrinogens with increased intramolecular hydrogen-bond donor distances is reported.
Mandeep K., Chahal, Jonathan P., Hill, Jan, Labuta, Yoshitaka, Matsushita, Daniel, Payne, Katsuhiko, Ariga   +5 more
core   +1 more source

A novel quinazolinone insulin receptor inhibitor and its synergy with an EGFR inhibitor in glucose‐driven glioblastoma

Molecular Oncology, EarlyView.
The novel styrylquinazolinone‐based molecule W1B effectively suppresses glioblastoma by inhibiting IGF1R and EGFR. In high‐glucose microenvironments driving tumor resistance, W1B acts synergistically with the EGFR inhibitor dacomitinib. This combination safely blocks compensatory survival signaling in zebrafish xenograft models. Showcasing promising in
Patryk Rurka, Wioleta Cieślik, Wojciech Płaziński, Katarzyna Stępnik, Anna Boguszewska‐Czubara, Elżbieta Kot, Robert Musioł, Mateusz Jasica, Anna Mrozek‐Wilczkiewicz, Katarzyna Malarz   +9 more
wiley   +1 more source

A theoretical study on the electronic structure of PYP chromophore in low barrier hydrogen bonding model [PDF]

, 2013
Yamaguchi et al. have recently identified positions of hydrogen and deuterium atoms in photoactive yellow protein (PYP) using high-resolution neutron scattering.
Hirano, Kenji, Sato, Hirofumi
core   +1 more source

Subangstrom Crystallography Reveals that Short Ionic Hydrogen Bonds, and Not a His-Asp Low-Barrier Hydrogen Bond, Stabilize the Transition State in Serine Protease Catalysis [PDF]

, 2016
To address questions regarding the mechanism of serine protease catalysis, we have solved two X-ray crystal structures of α-lytic protease (αLP) that mimic aspects of the transition states:  αLP at pH 5 (0.82 Å resolution) and αLP bound to the peptidyl ...
Matthew D. Daugherty (569680), David A. Agard (252597), Cynthia N. Fuhrmann (2638849)   +2 more
core   +3 more sources

Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N2H7+ [PDF]

The Journal of Chemical Physics, 2008
The microscopic origin and quantum effects of the low barrier hydrogen bond (LBHB) in the proton-bound ammonia dimer cation N2H7+ were studied by means of ab initio and density-functional theory (DFT) methods. These results were analyzed in the framework of vibronic theory and compared to those obtained for the Zundel cation H5O2+.
García Fernández, Pablo (físico), García Canales, L., García Lastra, J.M., Junquera Quintana, Francisco Javier, Moreno Mas, Miguel, Aramburu-Zabala Higuera, José Antonio   +5 more
openaire   +4 more sources

Pyramidal Structures on Yttria‐Stabilized Zirconia after High Temperature Exposure at 1500°C: New Features on an Old Material

Advanced Engineering Materials, EarlyView.
New features on yttria‐stabilized zirconia after exposure at 1500°C: Newly discovered pyramidal structures on an old material. After exposure at 1550°C on the cross section of YSZ new features, namely pyramidal structures are discovered. These structures grow with time, increase in numbers, appear as singularities, are often arranged in strings, and ...
Doris Sebold, Dylan Jennings, Robert Vaßen   +2 more
wiley   +1 more source

Interrogating Low Barrier Hydrogen Bonds with Neutrons, X-rays, and Computation [PDF]

Structural Dynamics
Low barrier hydrogen bonds (LBHBs) are H-bonds where the barrier to proton transfer from the donor to the acceptor atom is comparable to the quantum mechanical zero-point energy of the interaction, resulting in proton delocalization.
Jiusheng Lin, Oksana Gerlits, Daniel W. Kneller, Kevin L. Weiss, Leighton Coates, Mark A. Hix, Solomon Y. Effah, Andrey Kovalevsky, Alice R. Walker, Mark A. Wilson   +9 more
doaj   +1 more source

Karl Popper and the Mechanisms of Hydrogen Embrittlement

Advanced Engineering Materials, EarlyView.
Representation of the beginning of loss of ductility rather than embrittlement. Small concentrations of hydrogen in a diffusible form within iron are well‐established to harm the mechanical integrity of steels. There are theories that attempt to explain the pernicious role of hydrogen.
H. K. D. H. Bhadeshia
wiley   +1 more source

How ammonia participates in hydrogen bonding [PDF]

, 2007
High resolution spectral data on molecular complexes observed in free jet expansions and in particular rotationally resolved spectra, provide a wealth of information on the structure and the detailed nature of non-covalent interactions.
MELANDRI, SONIA, MARIS, ASSIMO, VELINO, BIAGIO, CAMINATI, WALTHER, L. B. Favero, GIULIANO, BARBARA MICHELA   +5 more
core  

Energy considerations show that low-barrier hydrogen bonds do not offer a catalytic advantage over ordinary hydrogen bonds [PDF]

Proceedings of the National Academy of Sciences, 1996
Low-barrier hydrogen bonds have recently been proposed as a major factor in enzyme catalysis. Here we evaluate the feasibility of transition state (TS) stabilization by low-barrier hydrogen bonds in enzymes. Our analysis focuses on the facts that ( i ) a low-barrier hydrogen bond is less stable than a regular ...
A, Warshel, A, Papazyan
openaire   +2 more sources