Results 51 to 60 of about 649,054 (286)
Electronic properties and applications of MXenes: a theoretical review
, 2017 Recent chemical exfoliation of layered MAX phase compounds to novel two-dimensional transition metal carbides and nitrides, so called MXenes, has brought new opportunity to materials science and technology.
Arai, Masao +4 more
core +1 more source
Aggressive prostate cancer is associated with pericyte dysfunction
Molecular Oncology, EarlyView.Tumor‐produced TGF‐β drives pericyte dysfunction in prostate cancer. This dysfunction is characterized by downregulation of some canonical pericyte markers (i.e., DES, CSPG4, and ACTA2) while maintaining the expression of others (i.e., PDGFRB, NOTCH3, and RGS5).
Anabel Martinez‐Romero +11 more
wiley +1 more source
Computational Insights into Industrial Chemistry
Computation, 2020 This brief Editorial is dedicated to announcing the Special Issue “Computational Insights into Industrial Chemistry”. The Special Issue covers the most recent progress in the rapidly growing field of computational chemistry, and the application of ...
Alexander S. Novikov
doaj +1 more source
Molecular Oncology, EarlyView.Clinical trials on PARP inhibitors in urothelial carcinoma (UC) showed limited efficacy and a lack of predictive biomarkers. We propose SLFN5, SLFN11, and OAS1 as UC‐specific response predictors. We suggest Talazoparib as the better PARP inhibitor for UC than Olaparib.
Jutta Schmitz +15 more
wiley +1 more source
Cytoplasmic p21 promotes stemness of colon cancer cells via activation of the NFκB pathway
Molecular Oncology, EarlyView.Cytoplasmic p21 promotes colorectal cancer stem cell (CSC) features by destabilizing the NFκB–IκB complex, activating NFκB signaling, and upregulating BCL‐xL and COX2. In contrast to nuclear p21, cytoplasmic p21 enhances spheroid formation and stemness transcription factor CD133.
Arnatchai Maiuthed +10 more
wiley +1 more source
Computational solution of atmospheric chemistry problems [PDF]
Extensive studies were performed on problems of interest in atmospheric chemistry. In addition to several minor projects, four major projects were performed and described (theoretical studies of ground and low-lying excited states of ClO2; ground and ...
Ake, R. L., Jafri, J.
core +1 more source
Assessment of the TCA functional in computational chemistry and solid-state physics
, 2015 We assess the Tognetti-Cortona-Adamo (TCA) generalized gradient approximation correlation functional [J. Chem. Phys. 128:034101 (2008)] for a variety of electronic systems.
Constantin, L. A. +4 more
core +3 more sources
Molecular Oncology, EarlyView.Development of therapies targeting cancer‐associated fibroblasts (CAFs) necessitates preclinical model systems that faithfully represent CAF–tumor biology. We established an in vitro coculture system of patient‐derived pancreatic CAFs and tumor cell lines and demonstrated its recapitulation of primary CAF–tumor biology with single‐cell transcriptomics ...
Elysia Saputra +10 more
wiley +1 more source
Heliyon, 2019 A computational investigation on the structure and antioxidant property of a natural food colorant Petunidin (PT) was performed under DFT/B3LYP/6-31+ G (d, p). PT has a drug score of +0.804 which indicates its drug-like nature.
Vijisha K. Rajan +2 more
doaj +1 more source
Algorithms versus architectures for computational chemistry [PDF]
The algorithms employed are computationally intensive and, as a result, increased performance (both algorithmic and architectural) is required to improve accuracy and to treat larger molecular systems.
Bauschlicher, C. W., Jr., Partridge, H.
core +1 more source