Results 81 to 90 of about 59,986 (298)

Characterisation of Gas-Chromatographic Poly(Siloxane) Stationary Phases by Theoretical Molecular Descriptors and Prediction of McReynolds Constants

open access: yes, 2019
Retention in gas–liquid chromatography is mainly governed by the extent of intermolecular interactions between the solute and the stationary phase.
Angelo A. D’Archivio, Andrea Giannitto
core   +1 more source

On Relationships of Eigenvalue–Based Topological Molecular Descriptors

open access: yesActa Chimica Slovenica, 2020
Three eigenvalue-based topological molecular descriptors are compared using several datasets of alkanes. Two of them are well-known and frequently employed in various QSPR/QSAR investigations, and third-one is a newly derived whose predictive potential is yet to be proven. The relations among them are found and discussed.
Redžepović I., Furtula, Boris
openaire   +5 more sources

Structural instability impairs function of the UDP‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans

open access: yesFEBS Letters, EarlyView.
The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li   +2 more
wiley   +1 more source

Connection number-based molecular descriptors of skin cancer drugs

open access: yesAin Shams Engineering Journal
Connection number-based molecular descriptors are one type of quantitative measure that provides insight into the connectivity of atoms and bonds within a molecule.
Ali N.A. Koam   +3 more
doaj   +1 more source

Molecular descriptors.

open access: yes, 2012
Descriptions of the basic molecular descriptors highlighted in this work. Where descriptors appear in the text without suffix, this indicated that values are either computed directly or as changes upon complexation, calculated as the difference between ...
Iain H. Moal (188029)   +1 more
core   +1 more source

The (Glg)ABCs of cyanobacteria: modelling of glycogen synthesis and functional divergence of glycogen synthases in Synechocystis sp. PCC 6803

open access: yesFEBS Letters, EarlyView.
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee   +3 more
wiley   +1 more source

Modeling of the Acute Toxicity of Benzene Derivatives by Complementary QSAR Methods

open access: yes, 2013
A data set containing acute toxicity values (96-h LC50) of 69 substituted benzenes for fathead minnow (Pimephales promelas) was investigated with two Quantitative Structure- Activity Relationship (QSAR) models, either using or not using molecular ...
Duce, Celia   +3 more
core  

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

open access: yesFEBS 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

Deconstructing adsorption variability: the prediction of spatial uncertainty in pollutant movement [PDF]

open access: yes, 2008
Land pressures today and government policy-requires previously developed, 'brownfield' land to be brought back into beneficial use. The nature of these sites means that they may have been subject to some form of contamination from previous uses. The risk
Collins, John Philip
core  

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

open access: yesFEBS 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   +9 more
wiley   +1 more source

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