Results 61 to 70 of about 367,971 (281)

Computing Topological Indices and Polynomials of the Rhenium Trioxide

open access: yesJournal of Mathematics, 2022
In the study of mathematical chemistry and chemical graph theory, a topological index, also known as a connectivity index, is the arithmetical framework of a graph that specifies its topology and also graph invariant.
Shahid Imran   +4 more
doaj   +1 more source

Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties

open access: yes, 2018
The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either constrains the model
Grossman, Jeffrey C., Xie, Tian
core   +1 more source

PARP inhibition and pharmacological ascorbate demonstrate synergy in castration‐resistant prostate cancer

open access: yesMolecular Oncology, EarlyView.
Pharmacologic ascorbate (vitamin C) increases ROS, disrupts cellular metabolism, and induces DNA damage in CRPC cells. These effects sensitize tumors to PARP inhibition, producing synergistic growth suppression with olaparib in vitro and significantly delayed tumor progression in vivo. Pyruvate rescue confirms ROS‐dependent activity.
Nicolas Gordon   +13 more
wiley   +1 more source

Specification of spatial relationships in directed graphs of cell signaling networks [PDF]

open access: yes, 2008
Graph theory provides a useful and powerful tool for the analysis of cellular signaling networks. Intracellular components such as cytoplasmic signaling proteins, transcription factors and genes are connected by links, representing various types of ...
Azi Lipshtat   +2 more
core   +1 more source

Circular RNA expression landscapes in myelodysplastic neoplasms: Associations with mutational signatures and disease progression

open access: yesMolecular Oncology, EarlyView.
In this explorative study, the abundance of circular RNA molecules in bone marrow stem cells was found to be elevated in patients with high‐risk myelodysplastic neoplasms, and to be associated with an increased risk of progression to acute myeloid leukemia.
Eileen Wedge   +17 more
wiley   +1 more source

Topological Descriptor of 2-Dimensional Silicon Carbons and Their Applications

open access: yesOpen Chemistry, 2019
The Chemical graph theory is extensively used in finding the atomic supplementary properties of different chemical stuructures. Many results of graph theory are commonly used in molecular structures and in general in Chemisty.
Nadeem Muhammad   +3 more
doaj   +1 more source

Heuristics-Guided Exploration of Reaction Mechanisms

open access: yes, 2015
For the investigation of chemical reaction networks, the efficient and accurate determination of all relevant intermediates and elementary reactions is mandatory.
Bergeler, Maike   +3 more
core   +3 more sources

Localization of interacting fermions in the Aubry-Andre' model [PDF]

open access: yes, 2015
We consider interacting electrons in a one dimensional lattice with an incommensurate Aubry-Andre' potential in the regime when the single-particle eigenstates are localized. We rigorously establish persistence of ground state localization in presence of
Mastropietro, Vieri
core   +2 more sources

Identification of serum protein biomarkers for pre‐cancerous lesions associated with pancreatic ductal adenocarcinoma

open access: yesMolecular 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

On statistical evaluation of reverse degree based topological indices for iron telluride networks

open access: yesScientific Reports
In the context of graph theory and chemical graph theory, this research conducts a detailed mathematical investigation of reverse topological indices as they relate to iron telluride networks, clarifying their complex interactions.
Maged Z. Youssef   +5 more
doaj   +1 more source

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