Results 31 to 40 of about 1,166,034 (267)

Learning to Predict Chemical Reactions [PDF]

Journal of Chemical Information and Modeling, 2011
Being able to predict the course of arbitrary chemical reactions is essential to the theory and applications of organic chemistry. Approaches to the reaction prediction problems can be organized around three poles corresponding to: (1) physical laws; (2) rule-based expert systems; and (3) inductive machine learning.
Matthew A. Kayala, Chloé-Agathe Azencott, Jonathan H. Chen, Pierre Baldi   +3 more
openaire   +2 more sources

Organ‐specific redox imbalances in spinal muscular atrophy mice are partially rescued by SMN antisense oligonucleotides

FEBS Letters, EarlyView.
We identified a systemic, progressive loss of protein S‐glutathionylation—detected by nonreducing western blotting—alongside dysregulation of glutathione‐cycle enzymes in both neuronal and peripheral tissues of Taiwanese SMA mice. These alterations were partially rescued by SMN antisense oligonucleotide therapy, revealing persistent redox imbalance as ...
Sofia Vrettou, Brunhilde Wirth
wiley   +1 more source

Transferrin receptor 1‐mediated iron uptake supports thermogenic activation in human cervical‐derived adipocytes

FEBS Letters, EarlyView.
In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai, Mizuki Seo, Gyath Karadsheh, Fachrur Rizal Mahendra, Máté Á Demény, Ferenc Győry, János András Mótyán, László Fésüs, Endre Kristóf, Rini Arianti   +9 more
wiley   +1 more source

Polyethylene glycol-grafted graphene oxide nanosheets in tailoring the structure and reverse osmosis performance of thin film composite membrane

Scientific Reports, 2023
Introducing hydrophilic polymers such as polyethylene glycol (PEG) within the polyamide (PA) layer of thin film composite (TFC) membranes helps achieve high water desalination performance.
Zahra Sanei, Taranom Ghanbari, Alireza Sharif   +2 more
doaj   +1 more source

The planar cell polarity protein Vangl2 interacts with the PDZ‐domains of Scribble but not with a unique PDZ‐like domain in Inturned

FEBS Letters, EarlyView.
Structural and biochemical characterisations show that the planar cell polarity (PCP) protein Inturned harbours a unique PDZ‐like domain that does not bind canonical PDZ‐binding motifs (PBMs) like that of another PCP protein Vangl2. In contrast, the apical‐basal polarity protein Scribble contains four PDZ domains that bind Vangl2, but one PDZ domain ...
Stephan Wilmes, Jan Brysch, Carmen Gelze, Lilli Meier, Daniel Kümmel   +4 more
wiley   +1 more source

Siphons in Chemical Reaction Networks [PDF]

Bulletin of Mathematical Biology, 2010
Siphons in a chemical reaction system are subsets of the species that have the potential of being absent in a steady state. We present a characterization of minimal siphons in terms of primary decomposition of binomial ideals, we explore the underlying geometry, and we demonstrate the effective computation of siphons using computer algebra software ...
Shiu, Anne, Sturmfels, Bernd
openaire   +6 more sources

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

2D In-Plane CuS/Bi₂WO₆ p-n Heterostructures with Promoted Visible-Light-Driven Photo-Fenton Degradation Performance

Nanomaterials, 2019
Photo-Fenton degradation of pollutants in wastewater is an ideal choice for large scale practical applications. Herein, two-dimensional (2D) in-plane CuS/Bi2WO6 p-n heterostructures have been successfully constructed by an in situ assembly strategy and ...
Li Guo, Kailai Zhang, Xuanxuan Han, Qiang Zhao, Danjun Wang, Feng Fu   +5 more
doaj   +1 more source

Quantum indistinguishability in chemical reactions [PDF]

Proceedings of the National Academy of Sciences, 2018
Significance Counter to conventional approaches that treat nuclear coordinates classically, we explore quantum indistinguishability of nuclei in enzymatic chemical reactions of small symmetric molecules. Supported by several physical arguments, we conjecture a far-reaching “quantum dynamical selection” (QDS) rule ...
Fisher, Matthew PA, Radzihovsky, Leo
openaire   +6 more sources

Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system

FEBS Letters, EarlyView.
Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley   +1 more source