Articles with "structure reactivity" as a keyword



On the Synthesis, Structure and Reactivity of MesDPM Triel Dihydrides

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Published in 2025 at "European Journal of Inorganic Chemistry"

DOI: 10.1002/ejic.202500403

Abstract: Herein, the simple synthesis of triel dihydride complexes with the sterically demanding 1,5,9‐trimesityldipyrromethene (MesDPM) ligand is reported. With these compounds, reactivity studies are carried out, opening access to new classes of MesDPM triels. All compounds… read more here.

Keywords: structure reactivity; synthesis structure; reactivity mesdpm; synthesis ... See more keywords

Structure–reactivity modeling using mixture-based representation of chemical reactions

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Published in 2017 at "Journal of Computer-Aided Molecular Design"

DOI: 10.1007/s10822-017-0044-3

Abstract: We describe a novel approach of reaction representation as a combination of two mixtures: a mixture of reactants and a mixture of products. In turn, each mixture can be encoded using an earlier reported approach… read more here.

Keywords: reactivity modeling; reaction; approach; mixture ... See more keywords
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Effects of alkaline earth metals on the surface, structure, and reactivity of α-alumina

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Published in 2018 at "Arabian Journal of Geosciences"

DOI: 10.1007/s12517-018-3578-3

Abstract: A series of strontium- and barium-doped alumina samples were prepared by hydrolysis, in neutral medium, starting from commercial Al2O3, SrCO3, and BaCO3 materials. The precursors thus obtained were calcined under air at 700 °C; then, the… read more here.

Keywords: alkaline earth; effects alkaline; metals surface; surface structure ... See more keywords

Quantitative structure–reactivity study on sulfonation of amines, alcohols and phenols

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Published in 2017 at "Arabian Journal of Chemistry"

DOI: 10.1016/j.arabjc.2013.10.009

Abstract: Abstract Quantitative structure–reactivity relationship (QSRR) can be considered as a variant of quantitative structure property relationship (QSPR) studies, where the chemical reactivity of reactants in a specified chemical reaction is related to chemical structure. As… read more here.

Keywords: quantitative structure; amines alcohols; sulfonation; structure ... See more keywords
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Insight into structure-reactivity relationships for the iron-catalyzed hydrotreatment of technical lignins.

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Published in 2018 at "Bioresource technology"

DOI: 10.1016/j.biortech.2018.07.028

Abstract: The viability of several technical lignins as a source for biobased platform chemicals was investigated via hydrotreatment using a cheap Fe-based limonite catalyst and without using a solvent. In general, high-quality oils (up to 29 wt%… read more here.

Keywords: insight structure; reactivity relationships; technical lignins; relationships iron ... See more keywords

A DFT study on the structure–reactivity relationship of aliphatic oxime derivatives as copper chelating agents and malachite flotation collectors

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Published in 2017 at "Journal of Industrial and Engineering Chemistry"

DOI: 10.1016/j.jiec.2016.11.010

Abstract: Abstract Aliphatic oxime derivatives C 7 H 15 CX NOH (X = H, CH 3 , NH 2 or OH) have been commercially used as copper(II) extractants or flotation collectors, but the true nature of their reactivity… read more here.

Keywords: aliphatic oxime; reactivity relationship; reactivity; oxime derivatives ... See more keywords

Assessing the nucleophilic character of 2-amino-4-arylthiazoles through coupling with 4,6-dinitrobenzofuroxan: Experimental and theoretical approaches based on structure-reactivity relationships

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Published in 2020 at "Journal of Saudi Chemical Society"

DOI: 10.1016/j.jscs.2020.08.004

Abstract: Abstract A kinetic study of the reactions of potentially bioactive 2-amino-4-arylthiazoles with highly reactive 4,6-dinitrobenzofuroxan (DNBF) is reported herein in acetonitrile solution. The complexation reaction was followed by recording the UV–vis spectra with time at… read more here.

Keywords: reactivity relationships; amino arylthiazoles; amino; structure reactivity ... See more keywords

Structure-Reactivity Relationships in Borane-Based FLP-Catalyzed Hydrogenations, Dehydrogenations, and Cycloisomerizations.

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Published in 2023 at "Accounts of chemical research"

DOI: 10.1021/acs.accounts.2c00832

Abstract: ConspectusThe activation of molecular hydrogen by main-group element catalysts is an extremely important approach to metal-free hydrogenations. These so-called frustrated Lewis pairs advanced within a short period of time to become an alternative to transition… read more here.

Keywords: hydrogen activation; frustrated lewis; reactivity; structure reactivity ... See more keywords

Effect of Phosphate and Ferritin Subunit Composition on the Kinetics, Structure, and Reactivity of the Iron Core in Human Homo- and Heteropolymer Ferritins.

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Published in 2022 at "Biochemistry"

DOI: 10.1021/acs.biochem.2c00354

Abstract: Ferritins are highly conserved supramolecular protein nanostructures that play a key role in iron homeostasis. Thousands of iron atoms can be stored inside their hollow cavity as a hydrated ferric oxyhydroxide mineral. Although phosphate associates… read more here.

Keywords: phosphate; ferritin; effect; iron ... See more keywords
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Nonaqueous Electrochemistry of Uranium Complexes: A Guide to Structure-Reactivity Tuning.

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Published in 2023 at "Chemical reviews"

DOI: 10.1021/acs.chemrev.2c00903

Abstract: Uranium complexes can be stabilized in a wide range of oxidation states, ranging from UII to UVI and a very recent example of a UI complex. This review provides a comprehensive summary of electrochemistry data… read more here.

Keywords: uranium complexes; structure reactivity; electrochemistry;

Degradation of Perfluoroalkyl Ether Carboxylic Acids with Hydrated Electrons: Structure-Reactivity Relationships and Environmental Implications.

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Published in 2020 at "Environmental science & technology"

DOI: 10.1021/acs.est.9b05869

Abstract: This study explores structure-reactivity relationships for the degradation of emerging perfluoroalkyl ether carboxylic acid (PFECA) pollutants with ultraviolet-generated hydrated electrons (eaq-). The rate and extent of PFECA degradation depend on both the branching extent and… read more here.

Keywords: degradation; hydrated electrons; reactivity relationships; structure reactivity ... See more keywords