ARTIFICIAL INTELLIGENCE IN SYNTHETIC CHEMISTRY: ACHIEVEMENTS AND PERSPECTIVES

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CHEMICAL SPACE ANALYSIS OF SN2 REACTIONS IN SOLUTION BASED ON THE CONDENSED REACTION GRAPH APPROACH

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Combination of searches for WW, WZ, and ZZ resonances in pp collisions at s=8 TeV with the ATLAS detector

The ATLAS experiment at the CERN Large Hadron Collider has performed searches for new, heavy bosons decaying to WW, WZ and ZZ final states in multiple decay channels using 20.3 fb-1 of pp collision data at s=8 TeV. In the current study, the results of these searches are combined to provide a more stringent test of models predicting heavy resonances with couplings to vector bosons. Direct searches for a charged diboson resonance decaying to WZ in the ℓνℓ'ℓ' (ℓ=μ, e), ℓℓqq-, ℓνqq- and fully hadronic final states are combined and upper limits on the rate of production times branching ratio to the WZ bosons are compared with predictions of an extended gauge model with a heavy W' boson. In addition, direct searches for a neutral diboson resonance decaying to WW and ZZ in the ℓℓqq-, ℓνqq-, and fully hadronic final states are combined and upper limits on the rate of production times branching ratio to the WW and ZZ bosons are compared with predictions for a heavy, spin-2 graviton in an extended Randall-Sundrum model where the Standard Model fields are allowed to propagate in the bulk of the extra dimension

ARTIFICIAL INTELLIGENCE IN SYNTHETIC CHEMISTRY: ACHIEVEMENTS AND PERSPECTIVES

1

Synthèse et propriétés de composés de neptunium(V) formés avec le ligand polyazoté Tptz

RADIOCHLa présente étude montre que, sous certaines conditions, les ligands polyazotés peuvent former des composés solides de Np(V). Les paramètres cristallographiques caractérisant la structure des composés [NpO2Cl(Tptz)H2O]·H2O (I) et NpO2Br(Tptz)·n H2O (II) ont été déterminés, ainsi que leur comportement thermique et certaines de leurs propriétés spectrales. Synthesis and properties of Np(V) compounds formed with nitrogen planar ligand Tptz. Under special conditions, Np(V) compounds are formed with N-donor aromatic ligands. In this work, synthesis as well as optical properties and thermal stability of solids [NpO2Cl(Tptz)H2O]·H2O (I) and NpO2Br(Tptz)·n H2O (II) are investigated

CHEMICAL SPACE ANALYSIS OF SN2 REACTIONS IN SOLUTION BASED ON THE CONDENSED REACTION GRAPH APPROACH

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The transannular interaction germanium-nitrogen in germocanes : the influence of substituents.

The reaction of RN(CH2CH2OH)CHR1CR2R3OH (1–8) with a stoichiometric amount of tetrachloro(bromo)germane leads to the corresponding RN(CH2CH2O)(CHR1CR2R3O)GeHal2 (9–21). Difluorenylgermocane 22 was prepared by treatment of diethoxydifluorenylgermane with N-methyldiethanolamine. Different dialkanolamines were found to be successive precursors of dimethylgermocanes, RN(CH2CH2O)(CHR1CR2R3O)GeMe2 (23–26). The chemical properties of simple and easy to access germocanes RN(CH2CH2O)2GeX2 [X = OH, Br (28), Cl (29)] were studied and the difluoro (27), haloalkoxy (30–32), and dialkoxy (33, 34) derivatives were prepared. The structures of the compounds 16, 20–22, and 26 were confirmed by X-ray diffraction and the structural features in solution of 23 and 26 were studied by NMR spectroscopy (NOEs). The relationship between the nature of substituents at different positions of the germocane skeleton and the strength of the intramolecular Ge ← N bond is discussed

New terpyridine derivatives of thiacalix[4]arenes in solution and at the water-air interface

© 2020, Springer Science+Business Media LLC. New di- and tetrasubstituted thiacalix[4]arenes in cone and 1,3-alternate configurations containing terpyridine and triazole fragments at the lower rim of the macrocycle, as well as model triazole-terpyridine, are synthesized. The structures and purity of the compounds are confirmed by NMR spectroscopy and high-resolution MALDI mass spectrometry. The compounds form luminescent complexes with lanthanide cations (europium and terbium) in a chloroform-methanol (10: 1) system during fluorimetric titration. The possibility of antenna ef ect during fluorescence sensitization in lanthanides by the thiacalixarene ligands is demonstrated. Successful immobilization of the terpyridine receptors on a solid substrate makes it possible to consider the Langmuir-Blodgett films on the basis of these receptors as promising adsorbents of lanthanide from nonaqueous media or organic salts and also provides new opportunities for the investigation of the luminescence characteristics of lanthanide complexes in thin films