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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen.
- Published in:
- Molecules, 2024, v. 29, n. 10, p. 2296, doi. 10.3390/molecules29102296
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- Article
Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents.
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- Molecules, 2024, v. 29, n. 8, p. 1743, doi. 10.3390/molecules29081743
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- Article
Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations.
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- Molecules, 2024, v. 29, n. 6, p. 1261, doi. 10.3390/molecules29061261
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- Article
Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions.
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- Polimery w Medycynie, 2024, v. 54, n. 1, p. 15, doi. 10.17219/pim/177235
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- Article
Predicting sulfanilamide solubility in the binary mixtures using areference solvent approach.
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- Polimery w Medycynie, 2024, v. 54, n. 1, p. 27, doi. 10.17219/pim/178284
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- Article
Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study.
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- Molecules, 2023, v. 28, n. 19, p. 6877, doi. 10.3390/molecules28196877
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- Article
Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures.
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- Materials (1996-1944), 2023, v. 16, n. 18, p. 6336, doi. 10.3390/ma16186336
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- Article
Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide.
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- Molecules, 2023, v. 28, n. 13, p. 5008, doi. 10.3390/molecules28135008
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- Article
Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations.
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- Molecules, 2023, v. 28, n. 2, p. 629, doi. 10.3390/molecules28020629
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- Article
Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations.
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- Molecules, 2023, v. 28, n. 1, p. 154, doi. 10.3390/molecules28010154
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- Article
Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media.
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- Pharmaceutics, 2022, v. 14, n. 12, p. 2828, doi. 10.3390/pharmaceutics14122828
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- Article
New Insights into Thermodynamics of Solutes in Neat and Complex Solvents.
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- Molecules, 2022, v. 27, n. 18, p. 6131, doi. 10.3390/molecules27186131
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- Article
Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols.
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- Molecules, 2022, v. 27, n. 16, p. 5274, doi. 10.3390/molecules27165274
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- Article
Quantification of Caffeine Interactions in Choline Chloride Natural Deep Eutectic Solvents: Solubility Measurements and COSMO-RS-DARE Interpretation.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 14, p. 7832, doi. 10.3390/ijms23147832
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- Article
New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide.
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- Molecules, 2022, v. 27, n. 10, p. 3323, doi. 10.3390/molecules27103323
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- Article
Application of the Solute–Solvent Intermolecular Interactions as Indicator of Caffeine Solubility in Aqueous Binary Aprotic and Proton Acceptor Solvents: Measurements and Quantum Chemistry Computations.
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- Materials (1996-1944), 2022, v. 15, n. 7, p. 2472, doi. 10.3390/ma15072472
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- Article
Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study.
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- Materials (1996-1944), 2022, v. 15, n. 2, p. 463, doi. 10.3390/ma15020463
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- Article
Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility.
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- Materials (1996-1944), 2021, v. 14, n. 20, p. 5915, doi. 10.3390/ma14205915
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- Article
Experimental and Theoretical Study on Theobromine Solubility Enhancement in Binary Aqueous Solutions and Ternary Designed Solvents.
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- Pharmaceutics, 2021, v. 13, n. 8, p. 1118, doi. 10.3390/pharmaceutics13081118
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- Article
Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 14, p. 7347, doi. 10.3390/ijms22147347
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- Article
Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 14, p. 7365, doi. 10.3390/ijms22147365
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- Article
Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents.
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- Molecules, 2021, v. 26, n. 13, p. 4078, doi. 10.3390/molecules26134078
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- Article
Special Issue Editorial: Eutectic Solvents.
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- 2020
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- Publication type:
- Editorial
Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin.
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- Pharmaceutical Research, 2019, v. 36, n. 8, p. N.PAG, doi. 10.1007/s11095-019-2643-2
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- Article
Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String.
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- Symmetry (20738994), 2019, v. 11, n. 7, p. 922, doi. 10.3390/sym11070922
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- Article
Application of the Consonance Solvent Concept for Accurate Prediction of Buckminster Solubility in 180 Net Solvents using COSMO-RS Approach.
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- Symmetry (20738994), 2019, v. 11, n. 6, p. 828, doi. 10.3390/sym11060828
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- Article
Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String.
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- Journal of Chemistry, 2019, p. 1, doi. 10.1155/2019/9858371
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- Article
Application of a computational model of natural deep eutectic solvents utilizing the COSMO-RS approach for screening of solvents with high solubility of rutin.
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- Journal of Molecular Modeling, 2018, v. 24, n. 7, p. 1, doi. 10.1007/s00894-018-3700-1
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- Article
Intermolecular interaction as a direct measure of water solubility advantage of meloxicam cocrystalized with carboxylic acids.
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- Journal of Molecular Modeling, 2018, v. 24, n. 5, p. 1, doi. 10.1007/s00894-018-3649-0
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- Article
Screening of ionic liquids for efficient extraction of methylxanthines using COSMO-RS methodology.
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- Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2017, v. 122, p. 176, doi. 10.1016/j.cherd.2017.04.015
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- Article
In silico screening of dicarboxylic acids for cocrystallization with phenylpiperazine derivatives based on both cocrystallization propensity and solubility advantage.
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- Journal of Molecular Modeling, 2017, v. 23, n. 4, p. 1, doi. 10.1007/s00894-017-3287-y
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- Article
The improvement of ecological characteristics of coatings from cured epoxy resins by hot water extraction.
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- Journal of Coatings Technology & Research, 2016, v. 13, n. 6, p. 1047, doi. 10.1007/s11998-016-9816-2
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- Article
The control and optimization of the curing process of epoxy coatings: a case of poly(glycidoxy siloxane) resins.
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- Journal of Polymer Engineering, 2016, v. 36, n. 8, p. 819, doi. 10.1515/polyeng-2015-0276
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- Article
Effects of Heart Rate Variability Biofeedback on EEG Alpha Asymmetry and Anxiety Symptoms in Male Athletes: A Pilot Study.
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- Applied Psychophysiology & Biofeedback, 2016, v. 41, n. 2, p. 141, doi. 10.1007/s10484-015-9319-4
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- Article
Structure and properties of alizarin complex formed with alkali metal hydroxides in methanol solution.
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- Journal of Molecular Modeling, 2016, v. 22, n. 6, p. 1, doi. 10.1007/s00894-016-2988-y
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- Article
Spectroscopic and nonlinear optical properties of new chalcone fluorescent probes for bioimaging applications: a theoretical and experimental study.
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- Journal of Molecular Modeling, 2016, v. 22, n. 6, p. 1, doi. 10.1007/s00894-016-2990-4
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- Article
Exploring the cocrystallization potential of urea and benzamide.
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- Journal of Molecular Modeling, 2016, v. 22, n. 5, p. 103, doi. 10.1007/s00894-016-2964-6
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- Article
Pressure-imposed changes of benzoic acid crystals.
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- Journal of Molecular Modeling, 2015, v. 21, n. 4, p. 1, doi. 10.1007/s00894-015-2635-z
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- Article
On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation.
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- Journal of Molecular Modeling, 2015, v. 21, n. 3, p. 1, doi. 10.1007/s00894-015-2599-z
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- Article
Apparent basicities of the surfaces characterizing the dominant crystal habits of distinct polymorphic forms of 4-aminosulfonamide.
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- Journal of Molecular Modeling, 2014, v. 20, n. 7, p. 1, doi. 10.1007/s00894-014-2276-7
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- Article
Accuracy of color prediction of anthraquinone dyes in methanol solution estimated from first principle quantum chemistry computations.
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- Journal of Molecular Modeling, 2013, v. 19, n. 10, p. 4089, doi. 10.1007/s00894-012-1717-4
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- Article
Structural and energetic properties of canonical and oxidized telomeric complexes studied by molecular dynamics simulations.
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- Journal of Molecular Modeling, 2013, v. 19, n. 8, p. 3339, doi. 10.1007/s00894-013-1859-z
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- Article
Mechanism of the acidic hydrolysis of epichlorohydrin.
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- Journal of Physical Organic Chemistry, 2011, v. 24, n. 11, p. 1045, doi. 10.1002/poc.1825
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- Article
Quantification of thermal ring flexibilities of aromatic and heteroaromatic compounds.
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- Journal of Molecular Modeling, 2011, v. 17, n. 9, p. 2249, doi. 10.1007/s00894-010-0901-7
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- Article
Nonadditive nature of nucleobases interactions in model d(GpG) dinucleotide steps.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 3, p. 616, doi. 10.1002/qua.22435
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- Article
Environment influences on the aromatic character of nucleobases and amino acids.
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- Journal of Molecular Modeling, 2010, v. 16, n. 11, p. 1709, doi. 10.1007/s00894-010-0806-5
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- Article
Non-additive interactions of nucleobases in model dinucleotide steps occurring in B-DNA crystals.
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- Journal of Molecular Modeling, 2010, v. 16, n. 11, p. 1721, doi. 10.1007/s00894-010-0722-8
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- Article
Structural and energetic consequences of oxidation of d(ApGpGpGpTpT) telomere repeat unit in complex with TRF1 protein.
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- Journal of Molecular Modeling, 2010, v. 16, n. 11, p. 1797, doi. 10.1007/s00894-010-0730-8
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- Article
The post-SCF quantum chemistry characteristics of inter- and intra-strand stacking interactions in d(CpG) and d(GpC) steps found in B-DNA, A-DNA and Z-DNA crystals.
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- Journal of Molecular Modeling, 2009, v. 15, n. 6, p. 1, doi. 10.1007/s00894-008-0378-9
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- Article
Structural and energetic heterogeneities of canonical and oxidized central guanine triad of B-DNA telomeric fragments.
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- Journal of Molecular Modeling, 2009, v. 15, n. 6, p. 607, doi. 10.1007/s00894-008-0438-1
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- Article