Results 91 to 100 of about 13,758 (245)

Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules

, 2023
We present a transferable MACE interatomic potential that is applicable to open- and closed-shell drug-like molecules containing hydrogen, carbon, and oxygen atoms.
Gábor , Csányi, Elena, Gelžinytė, Matthew D., Segall, Mario , Öeren   +3 more
core   +1 more source

CCDC80 suppresses high‐grade serous ovarian cancer migration via negative regulation of B7‐H3

Molecular Oncology, EarlyView.
PAX8 is a lineage‐specific master regulator of transcription in high‐grade serous ovarian cancer (HGSC) progression. We show for the first time that PAX8 facilitates proliferation and metastasis by repressing the cell autonomous tumor suppressor CCDC80 and inducing B7‐H3 expression.
Aya Saleh, Nitzan Medina‐Itzhaki, Milena Chekov, Eden Gal‐Swisa, Roba Gabesh‐Wahabi, Inbar Savyon, Inna Naroditsky, Hilary A. Kenny, Basem Fares, Lina Korsensky, Einav Girsh, Liron Berger, Ruth Perets   +12 more
wiley   +1 more source

Partial Dissociation and Hydration Quantitatively Explain the Properties of Aqueous Electrolyte Solutions and hence Empirical Activity Concepts are Unnecessary

, 2011
The author shows that Arrhenius's theory of partial electrolytic dissociation was immaturely displaced about eight decades ago by the empirical concept of ionic activities and the assumption of complete dissociation of electrolytes at all ...
Raji Heyrovska
core  

Aqua dissociation nature of cesium hydroxide

, 2018
To understand the mechanism of aqueous base dissociation chemistry, the ionic dissociation of cesium-hydroxide in water clusters is examined using density functional theory and ab initio calculations.
Lee, HM, Odde, S, Pak, C, Mhin, BJ, Kim, KS   +4 more
core   +1 more source

Expansion of Bond Dissociation Prediction with Machine Learning to Medicinally and Environmentally Relevant Chemical Space

, 2023
Bond dissociation energetics underpin the thermodynamics of chemical transformations where bonds are broken or formed and can also be used to predict reaction rates and selectivities.
Robert, Paton, Yeonjoon , Kim, Peter, St. John, Shree Sowndarya, Santhanalakkshmi Vejaykummar, Seonah, Kim   +4 more
core   +1 more source

Stimulator of interferon genes agonist augmented antitumor immunity of osimertinib in Egfr‐mutated lung cancer

Molecular Oncology, EarlyView.
Combining osimertinib with the STING agonist ADU‐S100 activates innate and adaptive immunity to overcome the non‐inflamed microenvironment of Egfr‐mutant lung cancer. This combination increases NK and CD8+ T‐cell infiltration, associated with activation of the STING‐IRF3 pathway and local immunogenic cell death.
Jun Nishimura, Tadahiro Kuribayashi, Johannes Brägelmann, Sachi Okawa, Masataka Taoka, Shunta Mori, Tomoka Nishimura, Takaaki Tanaka, Go Makimoto, Kiichiro Ninomiya, Kammei Rai, Eiki Ichihara, Ryohei Katayama, Katsuyuki Hotta, Masahiro Tabata, Yosuke Togashi, Yoshinobu Maeda, Martin L. Sos, Katsuyuki Kiura, Kadoaki Ohashi   +19 more
wiley   +1 more source

Engineering quantum dot surfaces to preserve protein-DNA interactions for single-molecule visualization

Nano Convergence
Quantum dots (QDs) are fluorescent nanoparticles widely used for single-molecule imaging because of their exceptional brightness and photostability. However, the impact of QD surface chemistry on biomolecular interactions has not been systematically ...
Youngseo Kim, Hyerim Kim, Munryul Choi, Hyun Suk Kim, Soyeong An, Orlando D. Schärer, Jongnam Park, Ja Yil Lee   +7 more
doaj   +1 more source

Facile dissociation of molecular nitrogen using lanthanide surfaces: towards ambient temperature ammonia synthesis

, 2020
A combined experimental and computational study is reported on a hitherto unrecognised single lanthanide catalyst for the breaking of molecular nitrogen and formation of ammonia at ambient temperature and low pressure.We combine in situ electrical ...
Simon, Brown, Felicia, Ullstad, Anna, Garden, Maxime, Le Ster, Stephanie, Lambie, Franck, Natali, Joe, Trodahl, Jay, Chan, Denis, Lefebvre, Ali, Shaib, Ben, Ruck   +10 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

Professor Stefan ERNST

Archives of Acoustics, 2015
It is with great sadness that we inform our readers about the recent death of Professor Stefan Ernst. Stefan Ernst was born in Piaśniki, Upper Silesia, on November 03, 1934, to parents of Polish-German descent. His primary education started during the
Mirosław CHORAZEWSKI
doaj   +1 more source