Results 101 to 110 of about 8,826,528 (283)

Regulation of the lncRNA NEAT1 by p53‐ΔNp63 crosstalk modulates the DNA damage response and therapeutic efficacy in HNSCC

Molecular Oncology, EarlyView.
In head and neck squamous cell carcinoma (HNSCC) p53 and p63 exert opposite roles on the transcription regulation of the lncRNA NEAT1. Under basal conditions, p53 levels are low and p63 represses NEAT1 expression. Upon genotoxic stress, p53 is rapidly induced, displacing p63 from the NEAT1 promoter leading to NEAT1 transcriptional activation and ...
Sara De Domenico, Veronica La Banca, Silvia D'Amico, Stefano Scalera, Sara Nicolai, Angelo Peschiaroli   +5 more
wiley   +1 more source

A molecular density functional theory to study solvation in water

, 2014
La théorie de la fonctionnelle de la densité classique est utilisée pour étudier la solvatation de solutés quelconques dans le solvant eau. Une forme approchée de la fonctionnelle d’excès pour l’eau est proposée. Cette fonctionnelle nécessite l’utilisation de fonctions de corrélation du solvant pur.
openaire   +4 more sources

Extracellular matrix remodeling and immune reprogramming drive residual tumor progression of liver cancer after incomplete microwave ablation

Molecular Oncology, EarlyView.
Incomplete microwave ablation (iMWA) of liver cancer triggers a biphasic progression in residual tumors. At Day 3, the microenvironment is characterized by acute inflammatory responses and extracellular matrix (ECM) remodeling. By Day 14, a profound shift occurs toward oncogenic signal transduction and immunosuppression, marked by macrophage ...
Yu Liu, Yubei He, Nikolaus Berndt, Michael Mülleder, Kathrin Textoris‐Taube, Jing Guo, Matthias Stechele, Justus Ramtke, Shraga Nahum Goldberg, Lynn Jeanette Savic   +9 more
wiley   +1 more source

A classical density functional theory for solvation across length scales. [PDF]

A central aim of multiscale modeling is to use results from the Schrödinger equation to predict phenomenology on length scales that far exceed those of typical molecular correlations.
Cox, Stephen J., Bui, Anna T.
core   +4 more sources

SPHINX31 acts as a SRPK1 inhibitor targeting the ATR/DNA‐PKcs/CHK1 replicative checkpoint to inhibit cell growth in non‐small cell lung cancer

Molecular Oncology, EarlyView.
The kinase SRPK1 directly interacts with the protein TOPBP1 and regulates the pre‐mRNA splicing of WIZ thereby contributing to the activation of the ATR/CHK1 replicative checkpoint in response to replicative stress. This allows cancer cells' genomic stability and survival.
Amani Shreim, Aurelie Genoux, Nadiia Zubchuk, Haoyang Zheng, Perla Salameh, Theo Ziegelmeyer, Fabien Dalonneau, Margot Rouchette, Christiane Oddou, Simona Miron, Helene Polveche, Adiilah Mamode Cassim, Carmen Garrido, Eleni Nikolakaki, Didier Auboeuf, Tao Jia, Sophie Zinn‐Justin, Beatrice Eymin   +17 more
wiley   +1 more source

Solvation and Aggregation of Meta-Aminobenzoic Acid in Water: Density Functional Theory and Molecular Dynamics Study

Pharmaceutics, 2018
Meta-aminobenzoic acid, an important model system in the study of polymorphism and crystallization of active pharmaceutical ingredients, exist in water in both the nonionic (mABA) and zwitterionic (mABA±) forms.
Etienne Gaines, Devis Di Tommaso
doaj   +1 more source

Accurate Solvation Properties in Supercritical CO2 with Molecular Density Functional Theory

The Journal of Physical Chemistry B
Abstract Supercritical CO2 is a highly efficient solvent for the development of more environmentally benign chemical processes. It is crucial to predict its solvation properties─the solvation free energy and the solvation structure─both accurately and at low computational cost.
Houssein Mohamed, Mohamed, Tannous, Odette, Muller, Camille, Borgis, Daniel, Ingrosso, Francesca, Belloni, Luc, Carof, Antoine   +6 more
openaire   +3 more sources

A molecular Debye-Hückel theory of solvation in polar fluids: An extension of the Born model

The Journal of Chemical Physics, 2017
A dielectric response theory of solvation beyond the conventional Born model for polar fluids is presented. The dielectric response of a polar fluid is described by a Born response mode and a linear combination of Debye-Hückel-like response modes that capture the nonlocal response of polar fluids.
Tiejun Xiao, Xueyu Song
openaire   +4 more sources

Mutant p53R273H disrupts PDPK1 homodimerization and contributes to PDPK1 activation

Molecular Oncology, EarlyView.
How mutant p53R273H drives AKT signaling is unclear. We show that p53R273H, but not wild‐type, directly binds PDPK1 via a mutation‐dependent conformational change. This interaction disrupts inhibitory PDPK1 homodimerization and enhances AKT phosphorylation.
Mei Chee Lim, Alvin Kunyao Guo, Yoko Itahana, Srinivasaraghavan Kannan, Valerie Goh, Mingmin Ong, Terina Yan Wen Tay, Weiying Ye, Sabhashina Radha Krishnan, Jun Nishiyama, Chandra S Verma, Koji Itahana   +11 more
wiley   +1 more source

Ultrafast energy flow in the wake of solution phase bimolecular reactions [PDF]

, 2011
Vibrational energy flow into reactants, and out of products, plays a key role in chemical reactivity, so understanding the microscopic detail of the pathways and rates associated with this phenomenon is of considerable interest.
Orr-Ewing, AJ, Glowacki, David R., Stuart J. Greaves, Rose, RA, Rose, Rebecca A., Andrew J. Orr-Ewing, Greaves, Stuart J., Jeremy N. Harvey, Harvey, Jeremy N., David R. Glowacki, Glowacki, DR, Harvey, JN, Greaves, SJ, Orr-Ewing, Andrew J., Rebecca A. Rose   +14 more
core   +1 more source