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Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence"
(Elsevier, 2021)
The tabular values and graphical representations of measured densities of caffeine+ethylene glycol solutions along with derived properties (thermal expansion coefficients, apparent and partial molar volumes and limiting ...
Supporting data for: "Deoxyribonuclease I Inhibitory Properties, Molecular Docking and Molecular Dynamics Simulations of 1-(Pyrrolidin-2-yl)propan-2-one Derivatives". Animation of molecular dynamics simulations I.
(Switzerland : Wiley-Blackwell, 2021)
Animation of molecular dynamics simulations: 1‐[1‐(4‐methoxyphenyl)pyrrolidin‐2‐yl]propan‐2‐one / DNase I
CCDC 271489: Experimental Crystal Structure Determination. Crystallographic data for "Ethyl 3-(6-phenyl-44-1,2-dithiolo[1,5-b][1,2,4]dithiazol-2-yl) propanoate, Acta Crystallographica Section E: Structure Reports Online, 2008, 64, 1"
(The Cambridge Crystallographic Data Centre (CCDC), 2008)
GISGAR : Ethyl 3-(6-phenyl-4λ4[1,2]dithiolo[1,5-b][1,2,4]dithiazol-2-yl)propanoate Space Group: P 21/c (14), Cell: a 4.5830(8)Å b 15.550(3)Å c 21.858(4)Å, α 90° β 91.579(2)° γ 90°
Supplementary material for: "Microbial Transformation of Calamintha glandulosa Essential Oil by Aspergillus niger"
(SAGE Publications, 2018)
Text S1. General experimental procedures Table S1. Elution system for the silica gel column chromatography separation of biotransformed products Figure 1S. 1 H NMR spectrum of compound 5 Figure 2S. 13C NMR spectrum of ...
Supplementary material for: "New aurone epoxide and auronolignan from the heartwood of Cotinus coggygria Scop."
(Taylor and Francis Ltd., 2018)
Table S1. HPLC program for the quantification of the main compounds from the C. coggygria CH2Cl2/MeOH extract Figure S1. UV spectra of 14 in MeOH, with addition of AlCl3, and HCl Figure S2. UV spectra of compound 14 in ...
CCDC 607823: Experimental Crystal Structure Determination. Crystallographic data for "Regioselective synthesis of 1,3-thiazines by sequential 4-oxothiazolidine to 1,2-dithiole to 1,3-thiazine transformations: role of intramolecular non-bonded S/O interactions"
(The Cambridge Crystallographic Data Centre (CCDC), 2007)
JEYHOL : 2-methyl-6-phenyl-4λ4-[1,2]dithiolo[1,5-b][1,2,4]dithiazole Space Group: P 21/c (14), Cell: a 13.4197(7)Å b 7.2797(4)Å c 11.8980(6)Å, α 90° β 108.161(2)° γ 90°
Supporting Information for: "The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States"
(American Chemical Society (ACS), 2019)
Extended computational details and theoretical background, EDA analysis, IDP analysis, additional references and figures. Additional figures: Model for the manganocene dimer that was utilized to extract coupling constant, ...
CCDC 607824: Experimental Crystal Structure Determination. Crystallographic data for "Regioselective synthesis of 1,3-thiazines by sequential 4-oxothiazolidine to 1,2-dithiole to 1,3-thiazine transformations: role of intramolecular non-bonded S/O interactions"
(The Cambridge Crystallographic Data Centre (CCDC), 2007)
JEYHUR : 2-ethyl-6-phenyl-2,3-dihydro-4H-1,3-thiazine-4-thione Space Group: P 1 (2), Cell: a 5.6687(8)Å b 11.0149(15)Å c 11.056(2)Å, α 116.540(9)° β 94.285(10)° γ 102.679(7)°
Supporting Material for: "NMR-based metabolomics for frauds detection and quality control of oregano samples"
(Elsevier, 2021)
Table S1. Summary of NMR experiments performed in order to elucidate the structure of salvianolic acid B. Sample was solubilized in CD3OD. Fig. S1 1H NMR spectrum obtained for apigenin (in fraction 114) solubilized in ...
Supplementary material for: "A Voltammetric Sensor Based on MgFe2O4 Decorated on Reduced Graphene Oxide-modified Electrode for Sensitive and Simultaneous Determination of Catechol and Hydroquinone"
(Wiley-Blackwell, 2018)
Fig. S1 Log-normal distribution function from fitting the TEM particle size data. Fig. S2 EDS mapping for MgFe@RGO composite. Fig. S3 CV voltammograms of: (A) different CC concentration in presence of constant HQ concentration ...