Results 51 to 60 of about 64,409 (320)
Advanced Functional Materials, EarlyView.Discover bio‐inspired fungicide‐loaded lignin nanocarriers that mimic host‐pathogen interactions, unleashing targeted fungicide release in response to glutathione and laccase. These innovative biobased nanocarriers promise superior crop protection, with increased photostability, enhanced foliar retention, and enabling bidirectional translocation for a ...
Wenlong Liang +4 more
wiley +1 more source
Computational Modeling of Reticular Materials: The Past, the Present, and the Future
Advanced Materials, EarlyView.Reticular materials are advanced materials with applications in emerging technologies. A thorough understanding of material properties at operating conditions is critical to accelerate the deployment at an industrial scale. Herein, the status of computational modeling of reticular materials is reviewed, supplemented with topical examples highlighting ...
Wim Temmerman +3 more
wiley +1 more source
Designed Monomers and PolymersA new class of biologically active polyazomethine/pyrazole and their related nanocomposites, polyazomethine/pyrazole/zinc oxide nanoparticles, have been successfully synthesized through the polycondensation technique in the form of polyazomethine ...
Aqilah A. Hakami +3 more
doaj +1 more source
Molecules, 2015 A series of pyrazole carboxamide and isoxazolol pyrazole carboxylate derivatives were designed and synthesized in this study. The structures of the compounds were elucidated based on spectral data (infrared, proton nuclear magnetic resonance and mass ...
Jialong Sun, Yuanming Zhou
doaj +1 more source
Molecules, 2022 In silico evaluation of various regioisomeric 5- and 3-hydroxy-substituted alkyl 1-aryl-1H-pyrazole-4-carboxylates and their acyclic precursors yielded promising results with respect to their binding in the active site of dihydroorotate dehydrogenase of ...
Luka Vah +8 more
doaj +1 more source
, 1939 An indolylpyrazolone derivative has been synthesised The syntheses of some pyrrolapyrazole and dipyrazole derivatives have been described.
TEJENDRA NATH GHOSH, DEBABRATA DAS-GUPTA
openaire +2 more sources
Towards Hybrid Density Functional Calculations of Molecular Crystals via Fragment-Based Methods
, 2018 We introduce and employ two QM:QM schemes (a quantum mechanical method embedded into another quantum mechanical method) and report their performance for the X23 set of molecular crystals.
Boese, A. Daniel +2 more
core +1 more source
Combined experimental and computational investigations of rhodium-catalysed C-H functionalisation of pyrazoles with alkenes [PDF]
, 2014 Detailed experimental and computational studies have been carried out on the oxidative coupling of the alkenes C(2)H(3)Y (Y=CO(2)Me (a), Ph (b), C(O)Me (c)) with 3-aryl-5-R-pyrazoles (R=Me (1 a), Ph (1 b), CF(3) (1 c)) using a [Rh(MeCN)(3)Cp*][PF(6)](2 ...
Algarra, Andrés G. +6 more
core +1 more source
Hierarchically MOF‐Based Porous Monolith Composites for Atmospheric Water Harvesting
Advanced Materials, EarlyView.This review explores the design of hierarchical porous materials for atmospheric water harvesting, focusing on metal‐organic frameworks (MOFs) and porous monoliths. Emphasis is placed on integrating MOF nanoscale porosity with the microscale channels of monolithic scaffolds to enhance sorption‐desorption performance.
Mahyar Panahi‐Sarmad +7 more
wiley +1 more source
Acta Crystallographica Section E, 2014 The title compound, C21H12Cl2N2O3, is a 1,4-diaroyl pyrazole derivative and has three aromatic rings. The dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and phenyl rings and the naphthalene ring system and the ...
Yoshinobu Ishikawa, Yuya Motohashi
doaj +1 more source