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16 results for “stereoselectivity”
Intrinsic and Environmental Modulation of Stereoselective Aldol Organocatalyzed Reactions by Proline-Containing Lipopeptides
<p>Electronic Supplementar Information (ESI) for the "Intrinsic and Environmental Modulation of Stereoselective Aldol Organocatalyzed Reactions by Proline-Containing Lipopeptides" manuscript</p>
Primary data for Manuscript provisionally titled Stereoselective access to bioactive cyclopropanes (+)-PPCC and (1R,2S)-2-aminomethyl-1-arylcyclopropane-1-carboxamides from (−)-levoglucosenone
<p><span>Contains HRMS and FID data for compounds described in the manuscript titled, "<span>Stereoselective access to bioactive cyclopropanes (+)-PPCC and (1<em><span>R</span></em>,2<em><span>S</span></em>)-2-aminomethyl-1-arylcyclopropane-1-carboxamides from (−)-levoglucosenone"</span></span></p> <p><span>FIDs can be opened using SpinWorks or Topspin programs.</span></p> <p> </p>
Computational redesign of cytochrome P450 CYP102A1 for highly stereoselective omeprazole hydroxylation by UniDesign
<p>To make it consistent with our manuscript, in this version of Zenodo dataset, all "conformers" have been changed to "poses" in the file names and the contents of the Perl scripts (in Scripts.zip). </p>
raw data for the article "Ficini Reaction with Acrylates for the Stereoselective Synthesis of Aminocyclobutanes"
<p>Raw NMR, IR and MS data for the article "Ficini Reaction with Acrylates for the Stereoselective Synthesis of Aminocyclobutanes" published in Chemistry a European Journal, DOI: </p> <div><a href="https://doi.org/10.1002/chem.202401810">https://doi.org/10.1002/chem.202401810</a></div> <p>The number of the folders either correspond to compounds numbers in the article or the name of the folder is self-describing. All details concerning conditions and equipment for measurements can be found in the supporting information of the article. For convenience, the word file version of the supporting information can be found on the top of the raw data folder.</p>
Catalyst-Controlled Stereoselective Barton–Kellogg Olefination
<p>Data underlying the figures in the publication “Catalyst-Controlled Stereoselective Barton–Kellogg Olefination”, published in <em>Angew. Chem. Int. Ed.</em>, <strong>2021</strong>.</p> <p><a href="https://doi.org/10.1002/anie.202109519">https://doi.org/10.1002/anie.202109519</a></p> <p>Table of contents:</p> <p><strong>1. BartonKellogg_NMC</strong>; Mesrenova file containing the NMRs of all the compounds described in the publication.</p>
Modular Enantioselective Synthesis of cis-Cyclopropanes through Self-Sensitized Stereoselective Photo-Decarboxylation with Benzothiazolines
<p>Raw data for the characterization of the compounds in the research paper with the same name.</p>
Fig. 6. A in Molecular cloning and functional characterization of a two highly stereoselective borneol dehydrogenases from Salvia officinalis L
Fig. 6. A) Chemical reduction of racemic camphor leads to a mixture of four stereoisomers, from which SoBDH2 oxidizes three; B) Chemical reduction of (+)-camphor produces a mixture of (+)-1 (20%) and (−)-2 (80%), from which SoBDH1 oxidizes (+)-1 and leaves (−)-2 unreacted.
Fig. 4. A in Molecular cloning and functional characterization of a two highly stereoselective borneol dehydrogenases from Salvia officinalis L
Fig. 4. A) Selective oxidative kinetic resolution of borneol enantiomers (+)-1 and (−)-1 and B) isoborneol enantiomers (+)-2 and (−)-2 to corresponding camphor enantiomers 3. The selective oxidation of (+)-borneol ((+)-1) leads to (+)-camphor ((+)-3), while selective oxidation of (+)-isoborneol leads to (−)-camphor (−)-3).
Fig. 2 in Molecular cloning and functional characterization of a two highly stereoselective borneol dehydrogenases from Salvia officinalis L
Fig. 2. Phylogenetic analysis of SoBDH1, SoBDH2 and related ADHs. The tree was constructed using the neighbour-joining algorithm with Clustal O and visualized with Mega 7. Enzyme abbreviation, NCBI-accession number and species are following (enzymes used in this study marked in bold): LiBDH (LiBDH_0259) - borneol dehydrogenase from Levandula intermedia (AFV30207.1), AaBDH (AaBDH_0294) - borneol dehydrogenase from Artemisia annua (ANJ65952.1), ADH2 (AaADH_0265) - alcohol dehydrogenase from Artemisia annua (ADK56099.1), PsBDH (PsBDH_0261) - borneol dehydrogenase from Pseudomonas sp. TCU-HL1, SoBDH1 (SoBDH1_0259) - borneol dehydrogenase 1 from Salvia officinalis L., SoBDH2 (SoBDH2_0283) - borneol dehydrogenase 2 from Salvia officinalis L., PySDH_0270 - Secoisolariciresinol dehydrogenase from Prunus yedoensis var. nudiflora (PQQ15129.1), AaBDH2_0293 - borneol dehydrogenase from Artemisia annua (PWA65158.1), AaADH2_0265 - alcohol dehydrogenase from Artemisia annua (PWA54131.1), PpSCDH_0285 - putative short-chain dehydrogenase/reductase SDR from Pseudomonas putida (BAN13298.1). EgHYP_0318 - hypothetical protein MIMGU_mgv1a010226mg from Erythranthe guttata (EYU18089.1), DhSCDH_0290 - short chain alcohol dehydrogenase from Dorcoceras hygrometricum.
Fig. 5 in Molecular cloning and functional characterization of a two highly stereoselective borneol dehydrogenases from Salvia officinalis L
Fig. 5. Kinetic characterization of the oxidation reaction of (+)-borneol catalyzed by SoBDH2. The lines represent the fit obtained using the Michaelis-Menten equation constructed using Origin 2017 software.
Fig. 7 in Molecular cloning and functional characterization of a two highly stereoselective borneol dehydrogenases from Salvia officinalis L
Fig. 7. Enzymatic oxidation of different mixtures of enantiomers of 1 and 2. A) Oxidation of rac-1 after 24 h catalyzed by SoBDH1/SoBDH2; B) Oxidation of rac-2 after 24 h catalyzed by SoBDH1/SoBDH2. C) Oxidation of a mixture of rac-1 and rac-2 by SoBDH2. D) Oxidation reaction of a mixture of (+)-1 and (−)-2 (stemming from chemical reduction) of (+)-3) after 40 h.
Fig. 3 in Molecular cloning and functional characterization of a two highly stereoselective borneol dehydrogenases from Salvia officinalis L
Fig. 3. Alignment of sequences of Salvia officinalis L. borneol dehydrogenases, SoBDH1 and SoBDH2 and other related plant ADHs. The sequences were aligned using Clustal O and visualized with Mega 7 (Sievers et al., 2014). NAD(H)-binding region is highlighted in a red square, catalytic residues (S, Y, K) highlighted in a blue square. Abbreviations of the enzymes is the same as in Fig. 2. (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)
Fig. 1 in Molecular cloning and functional characterization of a two highly stereoselective borneol dehydrogenases from Salvia officinalis L
Fig. 1. Proposed pathway for (+)-camphor biosynthesis. BPC: (+)-bornyl pyrophosphate cyclase, BPPH: (+)-bornyl pyrophosphate hydrolase, BDH: (+)-borneol dehydrogenase.
Simulation data in "Haloalkenyl Imidoyl Halides as Multifacial Substrates Breaking Limits in the Stereoselective Synthesis of N-Alkenyl Compounds"
<p>Collection of the Gaussian log files of the optimization and the resulting optimized structures obtained in the work: "Haloalkenyl Imidoyl Halides as Multifacial Substrates Breaking Limits in the Stereoselective Synthesis of N-Alkenyl Compounds".</p>
Bupropion Stereoselective Disposition and CYP2D6-mediated Drug Interactions in Healthy Volunteers
ClinicalTrials.gov study NCT03420469. IPD Sharing: NO. Countries: 1. Publications: 0.
Stereoselective RNA Reaction with Chiral 2'-OH Acylating Agents
GEO Series GSE247565. synthetic construct. 10 samples. Type: Other.
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