Results 51 to 60 of about 551,885 (316)

Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites

Nature Communications
The intricate hydrogen-bonded network of water gives rise to various structures with anomalous properties at different thermodynamic conditions. Nanoconfinement can further modify the water structure and properties, and induce specific water motifs ...
Aran Lamaire, Jelle Wieme, Sander Vandenhaute, Ruben Goeminne, Sven M. J. Rogge, Veronique Van Speybroeck   +5 more
doaj   +1 more source

Sodium or Not Sodium: Should Its Presence Affect the Accuracy of Pose Prediction in Docking GPCR Antagonists?

Pharmaceuticals, 2022
The function of the allosteric sodium ion in stabilizing the inactive form of GPCRs has been extensively described in the past decades. Its presence has been reported to be essential for the binding of antagonist molecules in the orthosteric site of ...
Davide Bassani, Matteo Pavan, Mattia Sturlese, Stefano Moro   +3 more
doaj   +1 more source

Impact of Metastatic Patterns on Survival and Response to Therapy in Neuroblastoma

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background While the presence of metastases in neuroblastoma (NB) is a well‐established prognostic factor, the clinical significance of dissemination patterns and tumour burden and their impact on response and survival remains poorly understood.
Mariona Morell‐Daniel, Santiago Pérez‐Hoyos, Aroa Soriano, Ana Coma, Amalia Varo, Raquel Hladun, Gabriela Guillén, Soraya Mico, Marta Garrido, Lourdes Rubio, Alba Rubio‐San‐Simón, Ana Minguez, Ricardo López‐Almaraz, Laura Illade, Miguel F. Segura, Lucas Moreno   +15 more
wiley   +1 more source

Ion modeling and ligand-protein binding calculation with a polarizable force field [PDF]

, 2009
textSpecific recognition of ligands including metal ions by proteins is the key of many crucial biological functions and systems. Accurate prediction of the binding strength not only sheds light on the mechanism of the molecular recognition but also ...
Jiao, Dian
core   +1 more source

Molecular-level kinetic modeling of conventional and unconventional hydroprocessing feedstocks [PDF]

, 2019
Klein, Michael T.Hydroprocessing is a catalytic upgrading process in a hydrogen-rich environment that is commonly used to remove impurities, saturate carbon-carbon bonds, and sometimes break carbon-carbon bonds.
Agarwal, Pratyush
core   +1 more source

In vitro and in vivo stability of a highly efficient long-acting cocaine hydrolase

Scientific Reports
It is recognized as a promising therapeutic strategy for cocaine use disorder to develop an efficient enzyme which can rapidly convert cocaine to physiologically inactive metabolites.
Linyue Shang, Huimei Wei, Jing Deng, Madeline J. Stewart, Johnathan E. LeSaint, Annet Kyomuhangi, Shawn Park, Elise C. Maul, Chang-Guo Zhan, Fang Zheng   +9 more
doaj   +1 more source

Natural Killer Cells in Paediatric Soft Tissue Sarcomas: A Systematic Review

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Paediatric soft tissue sarcomas (pSTS) are a rare and heterogeneous group of malignant tumours arising in tissues of mesenchymal origin. The role of natural killer (NK) cells in pSTS remains poorly understood, with evidence fragmented across small preclinical studies and early‐phase clinical trials.
Raya Dean, Lara V. Graham, Christina Putnam, Rosa Gomes Alves Martins, Daniel T. Harding, Tim J. Underwood, Zoë S. Walters, Matthew D. Blunt   +7 more
wiley   +1 more source

Quantum photonic base states : concept and molecular modeling. Managing chemical process descriptions beyond semi-classic schemes [PDF]

, 2014
Four fundamental aspects bearing on molecular simulations are considered: (1) A different perception of quantum states; mappings from abstract Hilbert space down to laboratory levels; (2) Introduction of photon number Fock space; photonic bases tie ...
Tapia, Orlando,
core   +1 more source

Corrosion Inhibition Effect of 5-Azidomethyl-8-Hydroxyquinoline on AISI 321 Stainless Steel in Phosphoric Acid Solution

International Journal of Electrochemical Science, 2021
In the present paper, 5-Azidomethyl-8-hydroxyquinoline (AMHQ), a synthesized molecule, has been evaluated as a corrosion inhibitor for AISI 321 stainless steel in 5.5 M phosphoric acid solution, using chemical and electrochemical methods such as ...
Aimad Mazkour, Souad El Hajjaji, Najoua Labjar, El Mostapha Lotfi, Mohammed El Mahi   +4 more
doaj   +1 more source

Nephrogenic Rests/Nephroblastomatosis in Patients With Unilateral Wilms Tumor Are Not Associated With an Increased Risk of Relapse: An Analysis of Patients Treated on the SIOP‐WT‐2001 Protocol in the SIOP‐UK‐CCLG and SIOP‐GPOH Studies (2001–2022)

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Introduction Nephrogenic rests (NRs) and nephroblastomatosis (NBM) are precursor lesions for development of Wilms tumor (WT). Their association with the risk of relapse has not been properly assessed, partly due to misunderstanding of their diagnostic criteria and terminology.
Gordan M. Vujanić, Rhoikos Furtwängler, Tanzina Chowdhury, Christian Vokuhl, Jenny Wegert, Norbert Graf   +5 more
wiley   +1 more source