Academic literature on the topic 'Lc-Hrms2 | 13c nmr'
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Journal articles on the topic "Lc-Hrms2 | 13c nmr":
Jankowski, C. K., M. R. Van Calsteren, N. Aychet, J. F. Dozol, C. Moulin, and C. Lamouroux. "Study of the nitration of di-n-octylcrown-6 calix[4]arene using LCMS, NMR, and molecular modelling." Canadian Journal of Chemistry 83, no. 8 (August 1, 2005): 1098–113. http://dx.doi.org/10.1139/v05-126.
Shupeniuk, Vasyl, Tetyana Taras, Oksana Sabadakh, Eugene Luchkevich, and Yurii Kornii. "Synthesis some 4-substituted 9,10-anthraquinones." French-Ukrainian Journal of Chemistry 8, no. 1 (2020): 58–65. http://dx.doi.org/10.17721/fujcv8i1p58-65.
Kerschl, Susanna, and Bernd Wrackmeyer. "Notizen: Versuche zur Herstellung eines Alkenyl(dimethyl)zinnhydrids: Gibt es eine intramolekulare Sn–H–B-Brücke?/ Attempts at the Synthesis of an Alkenyl(dimethyl)tin Hydride: Is there an Intramolecular Sn–H–B Bridge?" Zeitschrift für Naturforschung B 42, no. 8 (August 1, 1987): 1047–49. http://dx.doi.org/10.1515/znb-1987-0820.
Fiadorwu, Joshua, Kiran Subedi, Daniel Todd, and Mufeed M. Basti. "Multipronged Approach to Profiling Metabolites in Beta vulgaris L. Dried Pulp Extracts Using Chromatography, NMR and Other Spectroscopy Methods." Foods 12, no. 18 (September 21, 2023): 3510. http://dx.doi.org/10.3390/foods12183510.
Xie, Yimin, Xudong Chen, Kai Zhang, Sheng Cui, and Gongxia Zhang. "Elucidation of lignin and polysaccharide linkages in wheat straw by 2H/13C isotopic tracer." BioResources 18, no. 1 (November 17, 2022): 550–69. http://dx.doi.org/10.15376/biores.18.1.550-569.
Bhaskar, Prakash, Vasantha Kumar, Suresha Kumara Tholappanavara Hanumanthappa, and Sowmya Haliwana Banakara Vijaykumar. "2-(3,4-Dimethoxyphenyl)-N-(4-methoxyphenyl)-1-propyl-1H-benzo[d]imidazole-5-carboxamide." Molbank 2019, no. 3 (September 9, 2019): M1079. http://dx.doi.org/10.3390/m1079.
Bouajila, J., G. Raffin, H. Waton, C. Sanglar, J. O. Païsse, and M. F. Grenier-Loustalot. "Phenolic Resins – Characterizations and Kinetic Studies of Different Resols Prepared with Different Catalysts and Formaldehyde/Phenol Ratios (I)." Polymers and Polymer Composites 10, no. 5 (July 2002): 341–60. http://dx.doi.org/10.1177/096739110201000502.
Vasilev, Aleksey A., Peter P. Grozdanov, Ivanka Nikolova, Valentin S. Lozanov, and Meglena I. Kandinska. "Ultrasonic Synthesis and Preliminary Evaluation of Anticoronaviral Activity of 6,7-Dimethoxy-4-(4-(4-methoxyphenyl)piperazin-1-yl)-1-methylquinolin-1-ium Iodide." Molbank 2022, no. 3 (July 4, 2022): M1400. http://dx.doi.org/10.3390/m1400.
Wojcińska, Małgorzata, Jeffrey Williams, Tom J. Mabry, Ahmed A. Ahmed, Barry D. Davis, Gabor Tóth, Nabil H. El-Sayed, Irena Matławska, and Jennifer Clevinger. "Flavonol Triglycosides from the Leaves of Silphium Albiflorum." Natural Product Communications 1, no. 11 (November 2006): 1934578X0600101. http://dx.doi.org/10.1177/1934578x0600101105.
Diana, Rosita, Barbara Panunzi, and Ugo Caruso. "Two Novel π -Conjugated Fluorophores for Dye-Doped LC On-Off Photoluminescence Switching." Letters in Organic Chemistry 17, no. 5 (April 28, 2020): 340–44. http://dx.doi.org/10.2174/1570178616666191104094527.
Dissertations / Theses on the topic "Lc-Hrms2 | 13c nmr":
Cordonnier, Julien. "Toxoplasma gondii : identification par docking inverse sur des cibles moléculaires de composés actifs issus de ressources naturelles." Electronic Thesis or Diss., Reims, 2024. http://www.theses.fr/2024REIMS001.
Tree barks, by-product of forestry industry, constitute an abundant and sustainable source of natural compounds. Toxoplasma gondii is the parasite responsible for toxoplasmosis, posing a threat to fetuses, newborns, and immunocompromised individuals. The current therapeutics, limited and poorly tolerated, are now confronted to chemoresistant phenomena. This doctoral project aims to explore the chemical space associated with tree barks from the Champagne-Ardenne region, as relevant protein targets to fight T. gondii. An initial in silico evaluation using reverse docking (AMIDEv2.0) was carried out to identify biological target for triterpenes derived from betulone, isolated from the European alder, which had exhibited in vitro anti-toxoplasmosis activity. Among 87 proteins of T. gondii, CDPK3 was identified as the most probable target. Subsequently, a bank of 25 essential 3D protein structures for parasite survival, including 19 homology-modeled structures, was compiled. Thereafter, compounds from the Essential National Chemical Library were screened against this protein bank, using AMIDEv2.0. Two proteins were identified as potential targets; one of them was ATG3, a protein structure modeled from homologs with less than 50% identity. Subsequently, the barks of European Larch, whose n-heptane extract had shown significant activity (58% inhibition of parasitic growth at 100 µg/ml), were subjected to a chemical profiling. First, through a fractionation process using Centrifugal Partition Chromatography, and then a dereplication approach combining data from nuclear magnetic resonance and mass spectrometry. Tools like VersaDB and CATHEDRAL were developed to facilitate the creation of custom-databases and assess the confidence level of annotations. 52 molecules were annotated and associated with a confidence score. Simultaneously, in vitro tests demonstrated that 2 out of the 12 CPC fractions, primarily composed of terpenic derivatives, inhibited the parasite's survival by more than 40% at 25 µg/ml. Ultimately, the annotated compounds from L. decidua were subjected to AMIDEv2.0. The overlap between in vitro and in silico results highlighted 7-oxo-dehydroabietic acid and daniellic acid, strongly correlated with the in vitro inhibitory activity of the barks. CDPK1 and the SET-containing Protein are likely protein targets for these two ligands, thereby providing initial insights into their mechanism of action. These two hits are currently undergoing in vitro evaluation to verify the efficiency of developed approach during this doctoral project
Conference papers on the topic "Lc-Hrms2 | 13c nmr":
Cordonnier, J., S. Remy, A. Kotland, R. Leroy, A. Martinez, N. Borie, C. Sayagh, et al. "Enhancing natural products annotation in dual 13C-NMR and LC-HRMS2 based complex mixtures chemical profiling through custom in silico databases." In GA – 70th Annual Meeting 2022. Georg Thieme Verlag KG, 2022. http://dx.doi.org/10.1055/s-0042-1759205.
Cordonnier, J., S. Remy, A. Kotland, R. Leroy, A. Martinez, N. Borie, C. Sayagh, et al. "Short Lecture 11 “Enhancing natural products annotation in dual 13C-NMR and LC-HRMS2 based complex mixtures chemical profiling through custom in silico databases”." In GA – 70th Annual Meeting 2022. Georg Thieme Verlag KG, 2022. http://dx.doi.org/10.1055/s-0042-1758890.
Hussein, Ola, Feras Alali, Ala-Eddin Al Moustafa, and Ashraf Khalil. "Design, Synthesis and Biological Evaluation of Novel Chalcone Analogs as Potential Therapeutic Agents for Castration-Resistant Prostate Cancer." In Qatar University Annual Research Forum & Exhibition. Qatar University Press, 2020. http://dx.doi.org/10.29117/quarfe.2020.0179.