Results 241 to 250 of about 921,873 (354)

Investigating the Antioxidant Efficiency of Tea Flavonoid Derivatives: A Density Functional Theory Study. [PDF]

Int J Mol Sci
Hou Y, Wang Y, Tan X, Wang Y, Li W, Li X.   +5 more
europepmc   +1 more source

LIN28B Promotes Cancer Cell Dissemination and Angiogenesis

Advanced Biology, EarlyView.
Children diagnosed with high‐risk neuroblastoma have a 5‐year event‐free survival rate of less than 50% and poor outcomes after recurrence. Deregulation of the LIN28B oncogene can be addressed in these patients. Upregulation of LIN28B is shown to support the metastatic cascade.
Diana Corallo, Sara Menegazzo, Marcella Pantile, Silvia Bresolin, Carlo Zanon, Alessandro Davini, Massimiliano Mazzone, Alessandra Biffi, Sanja Aveic   +8 more
wiley   +1 more source

Photoinduced Autopromoted Ni-Catalyzed Three-Component Arylsulfonation Inspired by Density Functional Theory/Time-Dependent Density Functional Theory-Simulated Photoactive Nickel Species. [PDF]

Org Lett
Zhang F, Cheng XF, Liang X, Hu DD, Gao Q, Wang H, Wu P, Li Y.   +7 more
europepmc   +1 more source

Inhibition of Glutamine Metabolism Attenuates Tumor Progression Through Remodeling of the Macrophage Immune Microenvironment

Advanced Biology, EarlyView.
The prodrug strategy used in this study offers new promise for cancer metabolism‐based therapies. JHU083, a prodrug that, when cleaved by protease in the tumor microenvironment, yields the glutamine antagonist DON. JHU083 inhibits tumor growth by targeting glutamine‐addicted cancer cells and suppressing glutamine‐dependent M2 macrophages, leading to a ...
Tianhe Li, Sepehr Akhtarkhavari, Sumeng Qi, Jiawei Fan, Tu‐Yung Chang, Yao‐An Shen, JinMing Yang, Barbara S. Slusher, Ie‐Ming Shih, Stephanie Gaillard, Tian‐Li Wang   +10 more
wiley   +1 more source

Supramolecular hydration structure of graphene-based hydrogels: density functional theory, green chemistry and interface application. [PDF]

Beilstein J Nanotechnol
Le HN, Nguyen DK, Dang MT, Nguyen HT, Dao TBT, Nguyen TD, Ha Thuc CN, Le VH.   +7 more
europepmc   +1 more source

Density Functional Theory of Electronic Structure

, 1996
W. Kohn, A. D. Becke, R. Parr
semanticscholar   +1 more source

HMGB1 Derived from the Pyroptotic Microenvironment Promotes Macrophage Extracellular Traps in Hirschsprung‐Associated Enterocolitis

Advanced Biology, EarlyView.
HMGB1 derived from the pyroptotic environment in Hirschsprung‐associated enterocolitis mediates the formation of macrophage extracellular traps through TLR4 ‐p38 MAPK/p65 NF‐kB signaling pathways. Macrophage extracellular traps induce increased ROS production and pyroptosis of colonic epithelial cells.
Rui Zhang, Jing Li, Lili Song, Liya Pan, Chengchen Zhang, Zhiyan Zhan, Li Hong   +6 more
wiley   +1 more source

Band Gap and Reorganization Energy Prediction of Conducting Polymers by the Integration of Machine Learning and Density Functional Theory. [PDF]

J Chem Inf Model
Haciefendioglu T, Yildirim E.
europepmc   +1 more source

ELECTRONIC STRUCTURES OF PbWO4 CRYSTAL CALCULATED IN TERMS OF DENSITY FUNCTIONAL THEORY

, 2000
TONG HONG-YONG, Mu Gu, TANG XUE-FENG, Ling Liang, Mingzhen Yao   +4 more
openalex   +1 more source

Recent developments in libxc - A comprehensive library of functionals for density functional theory

SoftwareX, 2018
S. Lehtola, Conrad Steigemann, Micael J. T. Oliveira, M. Marques   +3 more
semanticscholar   +1 more source