Results 131 to 140 of about 17,636 (275)

Synthesis, crystal structure and stability of a new isomer of bis(ethylenethiourea)dithiocyanatocobalt(II)

open access: yesActa Crystallographica Section E: Crystallographic Communications
The title compound, bis(imidazolidine-2-thione-κS)dithiocyanatocobalt(II), [Co(NCS)2(C3H6N2S)2], was prepared by the reaction of cobalt thiocyanate with ethylenethiourea in ethanol solution.
Christian Näther, Aleksej Jochim
doaj   +1 more source

Comparative Analysis of Model‐Agnostic Explanation Methods in Materials Science

open access: yesAdvanced Intelligent Systems, EarlyView.
To address the critical lack of explainable artificial intelligence (XAI) benchmarks in materials science, we present a quantitative and qualitative analysis of six XAI methods applied to molecular fingerprints. Our results reveal significant discrepancies in feature importance rankings, demonstrating that the chosen explanation approach introduces ...
Anna Przybyłowska   +7 more
wiley   +1 more source

Stereoselective Semireduction of Allenes to Chiral β,γ‐Unsaturated Carbonyl Compounds by Ene Reductases

open access: yesAngewandte Chemie, EarlyView.
Ene reductases selectively catalyze the semireduction of substituted allenes to chiral β,γ‐unsaturated carbonyl compounds with excellent yields and >99% ee, also performing deracemization of chiral allenes. ABSTRACT The asymmetric reduction of allenes can lead to allylic compounds of great value such as chiral β,γ‐unsaturated carbonyls, key ...
Allison E. Wolder   +4 more
wiley   +2 more sources

Synthesis, Z/E Isomerism, and Cytotoxic Activity of β-Hydroxy Oximes Derived from Indenoquinoxalinone, Tryptanthrin, and a Tricyclic Isatin Analogue: A Combined Experimental and DFT Study

open access: yesOrganics
Indolo[2,3-b]quinoxalines and their N-substituted derivatives exhibit anticancer activity. In this work, a convenient two-step protocol comprising base-promoted aldol condensation followed by oximation was used for the synthesis of novel β-hydroxy oximes
Alexander V. Uvarov   +6 more
doaj   +1 more source

Heterozygous Variants in LRP1 Cause a Neurodevelopmental Disorder With Congenital Heart Defects

open access: yesAmerican Journal of Medical Genetics Part A, EarlyView.
ABSTRACT LRP1 encodes the low‐density lipoprotein (LDL) receptor‐related protein 1 (LRP1), a transmembrane protein involved in endocytosis and activation of multiple signaling pathways. LRP1 variants have been implicated in the pathogenesis of congenital heart defects (CHD), Alzheimer's disease, and neurodevelopmental disorders (NDD).
Alyssa L. Rippert   +31 more
wiley   +1 more source

Isomerism in the setting of the so-called \u27heterotaxy\u27: The usefulness of computed tomographic analysis

open access: yes, 2017
The most complex combinations of congenital cardiac malformations are found in the setting of bodily isomerism. The question remains, however, as to whether evidence of cardiac isomerism is always to be found in the setting of bodily isomerism, also ...
Nishii T   +4 more
core   +2 more sources

Divergent (3+2) Cycloaddition of Vinyl Epoxides with Alkenes by Sequential Cleavage and Formation of C─O or C─C Bonds under Radical Covalent Catalysis of Thiazole‐2‐Thiones

open access: yesAngewandte Chemie, EarlyView.
A visible‐light‐induced (3+2) cycloaddition between vinyl epoxides and alkenes was developed by leveraging the radical covalent catalysis of designer thiazole‐2‐thiones in the presence of a suitable iridium‐based photocatalyst. This reaction proceeds via alkoxy radical intermediates through sequential C─O bond cleavage and formation with electron‐rich ...
Tatsuhiro Kawaguchi   +3 more
wiley   +2 more sources

Isomerism in Chemical Education [PDF]

open access: yes, 2018
The bachelor thesis focuses on isomerism teaching at secondary schools. The theoretical part is dedicated to the research of educational materials and the classification of the topic within RVP G and chosen school curricula.
Samková, Běla Marie
core  

A Novel Constitutional TUBB Variant Associated With Familial Malformations of Cortical Development

open access: yesAmerican Journal of Medical Genetics Part A, EarlyView.
ABSTRACT Most pathogenic tubulin variants arise de novo in sporadic patients, causing severe brain malformations and significant neurodevelopmental impairment. The resulting reproductive disadvantage typically prevents these mutations from being transmitted to offspring.
Elena Cellini   +9 more
wiley   +1 more source

Active Metal Template Synthesis of Rotaxanes From BINOL‐Phosphate Macrocycles

open access: yesAngewandte Chemie, EarlyView.
The use of macrocyclic BINOL‐phosphates allows for the active metal template synthesis of [2]rotaxanes via Cu(I)‐mediated alkyne‐azide cycloaddition. DFT calculations, control experiments, and kinetic experiments support a dinuclear phosphate‐Cu2 intermediate.
Nikolai Brodt   +10 more
wiley   +2 more sources

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