Results 11 to 20 of about 769 (146)

LFER and 3D-QSAR Analysis of Febrifugine Derivatives against Plasmodium falciparum FCR-3 Strain [PDF]

, 2023
Malaria is a serious disease caused by Plasmodium through the bite of the female Anopheles mosquito. Due to resistance to artemisin, a first-line antimalarial, new compounds are needed.
Nur Aina, Tegar Achsendo Yuniarta, Dini Kesuma   +2 more
openaire   +2 more sources

QSAR Analysis of Rocaglamide Derivatives Cytotoxic Activities Using LFER Hansch Model

Indonesian Journal of Cancer Chemoprevention, 2010
Rocaglamide derivatives are the compounds which have featuring cyclopenta[b]tetra-hydrobenzofuran skeleton. Until now it includes more than 50 naturally occurring derivatives. They were chosen to be interesting candidates for possible therapeutic agents primarily in the field of cancer chemotherapy due to their cytotoxic activities data against various
Firdayani Firdayani, Susi Kusumaningrum, Doddy Irawan Setyo Utomo, Agung Eru Wibowo, Chaidir Chaidir   +4 more
openaire   +4 more sources

CORRELATION ANALYSIS OF IR, 1 H- AND 13 C-NMR SPECTRAL DATA OF N-ALKYL AND N-CYCLOALKYL CYANOACETAMIDES [PDF]

Chemical Industry and Chemical Engineering Quarterly, 2011
Linear free energy relationships (LFER) were applied to the IR, 1H- and 13C--NMR spectral data in N-alkyl and N-cycloalkyl cyanoacetamides. N-alkyl and N-cycloalkyl cyanocetamides were synthesized from corresponding amine and ethyl cyanoacetate. A number
Aleksandar D. Marinković, Jelena Nedeljković, Dušan Ž. Mijin, Nataša Ilić, Slobodan D. Petrović   +4 more
doaj   +3 more sources

Intermolecular Interactions, Solute Descriptors, and Partition Properties of Neutral Per- and Polyfluoroalkyl Substances (PFAS). [PDF]

Environ Sci Technol, 2023
The environmental partition properties of perfluoroalkyl and polyfluoroalkyl substances (PFAS) must be understood for their transport and fate analysis.
Endo S.
europepmc   +3 more sources

Streamlining Linear Free Energy Relationships of Proteins through Dimensionality Analysis and Linear Modeling. [PDF]

J Chem Inf Model
Linear free energy relationships (LFERs) are pivotal in predicting protein–water partition coefficients, with traditional one-parameter (1p-LFER) models often based on octanol.
Khawar MI, Arshad M, Achterberg EP, Nabi D.   +3 more
europepmc   +2 more sources

Extended Grunwald-Winstein Analysis - LFER Used to Gauge Solvent Effects in p-Nitrophenyl Chloroformate Solvolysis [PDF]

International Journal of Molecular Sciences, 2008
Specific rates of solvolysis at 25oC for p-nitrophenyl chloroformate (1) are analyzed using the extended (two-term) Grunwald-Winstein equation. For 39 solvents, the sensitivities (l = 1.68±0.06 and m = 0.46±0.04) towards changes in solvent nucleophilicity (l) and solvent ionizing power (m) obtained, are similar to those previously observed for phenyl ...
Malcolm J. D’Souza, Kevin E. Shuman, Shannon E. Carter, Dennis N. Kevill   +3 more
openaire   +2 more sources

A LFER analysis of the singlet-triplet gap in a series of sixty-six carbenes

Chemical Physics Letters, 2018
This work was carried out with financial support from the Ministerio de Economía, Industria y Competitividad of Spain (Project No. CTQ2015-63997-C2-2-P) and Comunidad Autónoma de Madrid (S2013/MIT2841, Fotocarbon).
Alkorta, Ibon, Elguero, José
openaire   +2 more sources

N-(substituted phenyl)-2-chloroacetamides: LSER and LFER study [PDF]

, 2015
The UV absorption spectra of twelve N-(substituted phenyl)-2-chloroacetamides were recorded in eighteen solvents. The effect of specific and non-specific solvent–solute interactions on the absorption maxima shifts was evaluated by using the Kamlet–Taft ...
Petrović, Slobodan, Miloš K. Milčić, Apostolov, Suzana Lj., Marinković, Aleksandar, Vaštag, Đenđi, Matijević, Borko M., Apostolov, Suzana L., Aleksandar D. Marinković, Marinković, Aleksandar D., Borko M. Matijević, Apostolov, Suzana, Petrović, Slobodan D., Suzana Lj. Apostolov, Milčić, Miloš K., Milčić, Miloš, Vaštag, Đenđi Đ., Slobodan D. Petrović, Đenđi Đ. Vaštag   +17 more
core   +1 more source

Considerations in Pursuing Reaction Scope Generality

Angewandte Chemie, Volume 137, Issue 41, October 6, 2025.
Synthetic methods that are applicable to a broad range of substrates are sought after, owing to their utility in industrial settings. This minireview describes considerations associated with how chemists define and identify general methods, especially with the emergence of modern analytical, high‐throughput, and data science tools in chemistry, and ...
Samson B. Zacate, Juliana A. Dantas, Song Lin, Abigail G. Doyle, Matthew S. Sigman   +4 more
wiley   +2 more sources

Kinematics and brightness temperatures of transition discs [PDF]

, 2023
Context. In recent years, high-angular-resolution observations of the dust and gas content in circumstellar discs have revealed a variety of morphologies, naturally triggering the question of whether these substructures are driven by forming planets ...
Benisty, M., Izquierdo, A., Teague, R., N. van der Marel, M. Benisty, van der Marel, N., L. W??lfer, Bohn, A., L. Francis, Wölfer, L.B., R. D. Teague, Izquierdo Cartagena, A.F., A. J. Bohn, Wölfer, L., A. F. Izquierdo, Dishoeck, E., Teague, R.D., Marel, N. van der, Francis, L., Bohn, A.J., Dishoeck, E.F. van, L. Wölfer, E. F. van Dishoeck, S. Facchini, Facchini, S.   +24 more
core   +1 more source