Results 91 to 100 of about 598,568 (300)
Reactivity Boundaries to Separate the Fate of a Chemical Reaction Associated with an Index-two saddle [PDF]
, 2013 Reactivity boundaries that divide the destination and the origin of trajectories are of crucial importance to reveal the mechanism of reactions. We investigate whether such reactivity boundaries can be extracted for higher index saddles in terms of a ...
Kawai, Shinnosuke +4 more
core +2 more sources
Molecular Oncology, EarlyView.Etoposide induces DNA damage, activating p53‐dependent apoptosis via caspase‐3/7, which cleaves PARP1. Dammarenediol II enhances this apoptotic pathway by suppressing O‐GlcNAc transferase activity, further decreasing O‐GlcNAcylation. The reduction in O‐GlcNAc levels boosts p53‐driven apoptosis and influences the Akt/GSK3β/mTOR signaling pathway ...
Jaehoon Lee +8 more
wiley +1 more source
Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT
Molecules, 2018 This computational study presents the assessment of eleven density functionals that include CAM-B3LYP, LC-wPBE, M11, M11L, MN12L, MN12SX, N12, N12SX, wB97, wB97X and wB97XD related to the Def2TZVP basis sets together with the Solvation Model Density (SMD)
Juan Frau, Daniel Glossman-Mitnik
doaj +1 more source
Edge functionalisation of graphene nanoribbons with a boron dipyrrin complex : a thesis presented in partial fulfilment of the requirements for the degree of Doctor of Philosophy in Nanoscience at Massey University, Manawatū, New Zealand [PDF]
, 2017 Chemical modification can be used to tune the properties of graphene and graphene nanoribbons, making them promising candidates for carbon-based electronics.
Way, Ashley Jacqulyne
core
Cooperative catalysis by silica-supported organic functional groups [PDF]
, 2008 Hybrid inorganic–organic materials comprising organic functional groups tethered from silica surfaces are versatile, heterogeneous catalysts. Recent advances have led to the preparation of silica materials containing multiple, different functional groups
Davis, Mark E. +2 more
core +1 more source
Tumour–host interactions in Drosophila: mechanisms in the tumour micro‐ and macroenvironment
Molecular Oncology, EarlyView.This review examines how tumour–host crosstalk takes place at multiple levels of biological organisation, from local cell competition and immune crosstalk to organism‐wide metabolic and physiological collapse. Here, we integrate findings from Drosophila melanogaster studies that reveal conserved mechanisms through which tumours hijack host systems to ...
José Teles‐Reis, Tor Erik Rusten
wiley +1 more source
Bibechana, 2016 Alkaloids are a group of naturally occurring chemical compounds and show immense potential of medicinal uses in traditional systems. In this work, a computational study on an alkaloid aristolochc acidid II (AA II) is presented using density functional ...
Bhawani Dutt Joshi
doaj
Frontiers in Chemistry, 2018 In this paper, the antiestrogenic properties of Tamoxifen analogs have been investigated and a theoretical report of its analogs interaction with the pocket site of some hormone receptors are presented.
Linda-Lucila Landeros-Martínez +2 more
doaj +1 more source
Unsymmetrical 1,1-Bisboryl Species: Valuable Building Blocks in Synthesis
Molecules, 2020 Unsymmetrical 1,1-bis(boryl)alkanes and alkenes are organo-bismetallic equivalents, which are synthetically important because they allow for sequential selective transformations of C−B bonds. We reviewed the synthesis and chemical reactivity of 1,1-
K. Naresh Babu +5 more
doaj +1 more source
Molecular Oncology, EarlyView.This work identified serum proteins associated with pancreatic epithelial neoplasms (PanINs) and early‐stage PDAC. Proteomics screens assessed genetically engineered mice with abundant PanINs, KPC mice (Lox‐STOP‐Lox‐KrasG12D/+ Lox‐STOP‐Lox‐Trp53R172H/+ Pdx1‐Cre) before PDAC development and also early‐stage PDAC patients (n = 31), compared to benign ...
Hannah Mearns +10 more
wiley +1 more source