Results 21 to 30 of about 162,540 (300)

Computational physical organic chemistry using the empirical valence bond approach

, 2019
There has been growing interest in applying the empirical valence bond approach to a range of (bio)chemical problems, primarily to study enzymatic and non-enzymatic catalysis, but also to studying other processes such as excited state chemistry and ...
Kamerlin, Shina C. Lynn,, Kulkarni, Yashraj, Kulkarni, Yashraj,, Kamerlin, Shina C. Lynn, Shina Caroline Lynn Kamerlin, Yashraj Kulkarni   +5 more
core   +1 more source

Integrating mass spectrometry with MD simulations reveals the role of lipids in Na+/H+ antiporters

Nature Communications, 2017
Na+/H+antiporters transport sodium or lithium ions across the membrane in exchange for protons. Here the authors combine ion mobility mass spectrometry and molecular dynamics simulations to uncover a facilitating role for lipids in the transport ...
Michael Landreh, Erik G. Marklund, Povilas Uzdavinys, Matteo T. Degiacomi, Mathieu Coincon, Joseph Gault, Kallol Gupta, Idlir Liko, Justin L. P. Benesch, David Drew, Carol V. Robinson   +10 more
doaj   +1 more source

UnidecNMR: automatic peak detection for NMR spectra in 1-4 dimensions

Nature Communications
To extract information from NMR experiments, users need to identify the number of resonances in the spectrum, together with characteristic features such as chemical shifts and intensities.
Charles Buchanan, Gogulan Karunanithy, Olga Tkachenko, Michael Barber, Michael T. Marty, Timothy J. Nott, Christina Redfield, Andrew J. Baldwin   +7 more
doaj   +1 more source

Elementary Reactions and Their Role in Gas-Phase Prebiotic Chemistry

, 2009
The formation of complex organic molecules in a reactor filled with gaseous mixtures possibly reproducing the primitive terrestrial atmosphere and ocean demonstrated more than 50 years ago that inorganic synthesis of prebiotic molecules is possible ...
Nadia Balucani
core   +1 more source

Functional comparison of EncB and EncC cargo proteins in iron storage within the Myxococcus xanthus encapsulin

FEBS Letters, EarlyView.
Encapsulins are protein nanocompartments that play an important role in iron storage. In the Myxococcus xanthus encapsulin system, two cargo proteins called EncB and EncC contribute to iron mineralization. Here, we show that EncB and EncC generate iron‐containing minerals with distinct chemical compositions, suggesting that the composition of stored ...
Harry B. McDowell, Thomas Walther, Egbert Hoiczyk   +2 more
wiley   +1 more source

Chemical control of colloidal self-assembly driven by the electrosolvation force

Nature Communications
Self-assembly of matter in solution generally relies on attractive interactions that overcome entropy and drive the formation of higher-order molecular and particulate structures.
Sida Wang, Rowan Walker-Gibbons, Bethany Watkins, Binghui Lin, Madhavi Krishnan   +4 more
doaj   +1 more source

Somatostatin receptor 4 (SSTR4) is a tumor suppressor in cutaneous and head & neck squamous cell carcinomas

Molecular Oncology, EarlyView.
This study identifies somatostatin receptor 4 (Sstr4) as a critical tumor suppressor against skin and head/neck cancers (HNSCC, cSCC, and BCC). The loss of Sstr4 removes a check on cell growth, causing hyperactivation of the MAPK‐ERK signaling pathway (↑).
Ali Taqvi, Tuan Khang Huynh, Adway Kadam, Zahra Kardan, Yue Yan, Amina Jamal Laham, Sampath Kumar Loganathan   +6 more
wiley   +1 more source

Sensing the structural and conformational properties of single-stranded nucleic acids using electrometry and molecular simulations

Scientific Reports
Inferring the 3D structure and conformation of disordered biomolecules, e.g., single stranded nucleic acids (ssNAs), remains challenging due to their conformational heterogeneity in solution.
Rowan Walker-Gibbons, Xin Zhu, Ali Behjatian, Timothy J. D. Bennett, Madhavi Krishnan   +4 more
doaj   +1 more source

Ionic Liquids Based on the Concept of Melting Point Lowering Due to Ethoxylation

Molecules, 2021
Most of the commonly used Ionic Liquids (ILs) contain bulky organic cations with suitable anions. With our COMPLET (Concept of Melting Point Lowering due to Ethoxylation), we follow a different approach.
Manuel Rothe, Eva Müller, Patrick Denk, Werner Kunz   +3 more
doaj   +1 more source

Physical Chemistry of Magmas

, 1991
Physical Chemistry of Magmas investigates the properties, structure, and phase relationships of silicate melts with invited contributions from an international team of experts. Data and some rules for estimating the properties and structures of melts, as
Perchuk, Leonid L., Kushiro, Ikuo
core   +1 more source