Results 171 to 180 of about 596,267 (361)

Machine learning for improved density functional theory thermodynamics

Scientific Reports
The predictive accuracy of density functional theory (DFT) for alloy formation enthalpies is often limited by intrinsic energy resolution errors, particularly in ternary phase stability calculations.
Sergei I. Simak, Erna K. Delczeg-Czirjak, Olle Eriksson   +2 more
doaj   +1 more source

Iron homeostasis disruption and lipid peroxidation in skeletal muscle during short‐term immobilization

FEBS Open Bio, EarlyView.
14‐day casting‐induced immobilization reduced gastrocnemius muscle mass and increased non‐heme iron and ferritin heavy chain levels. Despite iron accumulation, transferrin receptor 1 and iron regulatory protein 2 were paradoxically upregulated. Lipid peroxidation was elevated without compensatory antioxidant responses.
Haruka Yokogawa, Kazuhiko Higashida, Naoya Nakai   +2 more
wiley   +1 more source

Hybrid density functional theory investigation of a series of alloxan-based thiosemicarbazones and semicarbazones [PDF]

, 2006
Norberto Silva, Edward C. Lisic, Titus V. Albu   +2 more
openalex   +1 more source

Proteasomal degradation of intracellularly expressed Amblyomin‐X limits suicide gene therapy potential in melanoma cells

FEBS Open Bio, EarlyView.
This study explores the feasibility of expressing the antitumoral protein Amblyomin‐X through a suicide gene therapy approach and investigates its intracellular fate after gene delivery. Although the gene is efficiently expressed, melanoma cells rapidly degrade the Amblyomin‐X protein via proteasome activity.
Victor Dal Posolo Cinel, Carlos DeOcesano Pereira, Aline Ramos Maia Lobba, Melissa Regina Fessel, Ana Marisa Chudzinski‐Tavassi   +4 more
wiley   +1 more source

Interaction of atomic hydrogen with anthracene and polyacene from density functional theory

, 2016
Ricardo M. Ferullo, Norberto J. Castellani, Patricia G. Belelli   +2 more
openalex   +2 more sources

Systemic dysregulation of apolipoproteins in amyotrophic lateral sclerosis serum

FEBS Open Bio, EarlyView.
Amyotrophic lateral sclerosis (ALS) is a fatal disease that damages motor neurons. This study found that people with ALS show significant changes in blood fats and the proteins that carry them. Several apolipoproteins were higher, lipid balances were altered, and normal protein–lipid relationships were disrupted.
Finula I. Isik, Russell Pickford, Hannah C. Timmins, Olivier Piguet, Glenda M. Halliday, Matthew C. Kiernan, Woojin Scott Kim   +6 more
wiley   +1 more source

Demixing in athermal mixtures of colloids and excluded-volume polymers from density functional theory [PDF]

, 2005
Paweł Bryk
openalex   +1 more source

Large‐scale bidirectional arrayed genetic screens identify OXR1 and EMC4 as modifiers of αSynuclein aggregation

FEBS Open Bio, EarlyView.
Activation of the mitochondrial protein OXR1 increases pSyn129 αSynuclein aggregation by lowering ATP levels and altering mitochondrial membrane potential, particularly in response to MSA‐derived fibrils. In contrast, ablation of the ER protein EMC4 enhances autophagic flux and lysosomal clearance, broadly reducing α‐synuclein aggregates.
Sandesh Neupane, Lea Nikolić, Lorenzo Maraio, Thomas Goiran, Nathan Karpilovsky, Stefano Sellitto, Vangelis Bouris, Jiang‐An Yin, Ronald Melki, Edward A Fon, Adriano Aguzzi, Elena De Cecco   +11 more
wiley   +1 more source

Bundle and chirality influences on properties of carbon nanotubes studied with van der Waals density functional theory [PDF]

, 2011
Heiko Dumlich, Michael Gegg, Frank Hennrich, Stephanie Reich   +3 more
openalex   +1 more source

Investigation of the Magnetic and Electronic Properties of Pyrrolic N-doped Graphene Using Density Functional Theory

, 2021
Erik Bhekti Yutomo, Fatimah A. Noor, Toto Winata   +2 more
openalex   +1 more source