Search results for "MEDT"

showing 3 items of 3 documents

Mpro-SARS-CoV-2 Inhibitors and Various Chemical Reactivity of 1-Bromo- and 1-Chloro-4-vinylbenzene in [3 + 2] Cycloaddition Reactions

2021

The regioselectvity and the mechanism of the (32CA) cycloadditions reactions of 1-bromo-4-vinylbenzene 1 and 1-chloro-4-vinylbenzene 2 with benzonitrile oxide 3 were investigated under the molecular electron density theory (MEDT) at the B3LYP/6-311++G(d,p) computational level. Evaluation of the ELF reveals that these zwitterionic type (zw-type) 32CA reactions take place in a two-stage one-step mechanism. This MEDT study shows that the meta isoxazolines are kinetically and thermodynamically favored over the ortho ones, these 32CA reactions being completely regioselective, in agreement with experimental outcomes. In addition, the efficiency of isoxazolines against SARS-CoV-2 have been also in…

2019-20 coronavirus outbreakCoronavirus disease 2019 (COVID-19)010405 organic chemistryChemistrySARS-CoV-2Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)OxideMEDTRegioselectivity010402 general chemistry01 natural sciencesMedicinal chemistryDFTCycloaddition3. Good health0104 chemical scienceschemistry.chemical_compoundBenzonitrileELFDocking (molecular)regioselectivity2-isoxazolineOrganics
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Determining IPO prices for innovative firms: the case of young French bio-medtech firms

2020

International audience; The large number of French biotech firms that have recently gone public prompts us to analyse the role and characteristics of their initial backers and their influence in determining the offer price at the time of the IPO. We assume the offer price is setso as to underprice companies in conjunction with the exit motives of their main shareholders and the nature and characteristics of the venture capital firms backing them. The paper characterizes listed bio-medtech firms, although the resultssometimes fail to reveal underpricing for the 39 bio-medtech firms that went public on Euronext Paris between 2010 and 2016.

Bio-medtechPrices[SHS.GESTION]Humanities and Social Sciences/Business administration[SHS.GESTION] Humanities and Social Sciences/Business administration
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[3 + 2] Cycloadditions in Asymmetric Synthesis of Spirooxindole Hybrids Linked to Triazole and Ferrocene Units: X-ray Crystal Structure and MEDT Stud…

2022

Derivatization of spirooxindole having triazole and ferrocene units was achieved by the [3 + 2] cycloaddition (32CA) reaction approach. Reacting the respective azomethine ylide (AY) intermediate generated in situ with the ethylene derivative produced novel asymmetric cycloadducts with four contiguous asymmetric carbons in an overall high chemical yield with excellent regioselectivity and diastereoselectivity. X-Ray single-crystal structure analyses revealed, with no doubt, the success of the synthesis of the target compounds. The 32CA reaction of AY 5b with ferrocene ethylene 1 has been studied within MEDT. This 32CA reaction proceeds via a two-stage one-step mechanism involving a high asyn…

kemiallinen synteesiPhysics and Astronomy (miscellaneous)asymmetric synthesis; spirooxindole; triazole; ferrocene; azomethine ylide; [3 + 2] cycloaddition reaction; MEDT studyGeneral Mathematicsasymmetric synthesisferrocene[3 + 2] cycloaddition reactionspirooxindoletriazoleazomethine ylideChemistry (miscellaneous)Computer Science (miscellaneous)heterosykliset yhdisteetMEDT studySymmetry
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