Search Results - "Santos, Adenilson O."
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Molecular spectroscopy, solvent effect, and DFT studies of azithromycin solvate
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15-01-2025)“…[Display omitted] •Azithromycin ethanol solvate monohydrate (AZM-MH-EtOH) was synthesized by low evaporation method.•Electronic and spectroscopic properties…”
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Batch Statistical Process Monitoring Approach to a Cocrystallization Process
Published in Journal of pharmaceutical sciences (01-12-2015)“…Cocrystals are defined as crystalline structures composed of two or more compounds that are solid at room temperature held together by noncovalent bonds. Their…”
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Tutton salt (NH4)2Zn(SO4)2(H2O)6: thermostructural, spectroscopic, Hirshfeld surface, and DFT investigations
Published in Journal of molecular modeling (2024)“…Context Ammonium Tutton salts have been widely studied in recent years due to their thermostructural properties, which make them promising compounds for…”
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Ambient pressure colossal magnetocaloric effect tuned by composition in Mn1-xFexAs
Published in Nature materials (01-10-2006)“…The magnetocaloric effect (MCE) is the basis for magnetic refrigeration, and can replace conventional gas compression technology due to its superior efficiency…”
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Crystalline Films of L‐Threonine Complexed with Copper (II) Dispersed in a Galactomannan Solution: A Structural, Vibrational, and Thermal Study
Published in Polymer engineering and science (01-01-2020)“…The study's aim was to synthesize a crystalline film formed by L‐threonine crystals complexed with Cu2+ ions (LTCu) dispersed in a galactomannan (Gal) solution…”
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Assessing the Novel Mixed Tutton Salts K2Mn0.03Ni0.97(SO4)2(H2O)6 and K2Mn0.18Cu0.82(SO4)2(H2O)6 for Thermochemical Heat Storage Applications: An Experimental–Theoretical Study
Published in Molecules (Basel, Switzerland) (01-12-2023)“…In this paper, novel mixed Tutton salts with the chemical formulas K2Mn0.03Ni0.97(SO4)2(H2O)6 and K2Mn0.18Cu0.82(SO4)2(H2O)6 were synthesized and studied as…”
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On the solid–liquid phase diagrams of binary mixtures of even saturated fatty alcohols: Systems exhibiting peritectic reaction
Published in Thermochimica acta (10-08-2014)“…•SLE of binary mixtures of saturated fatty alcohols was studied.•Experimental data were obtained using DSC and stepscan DSC.•Microscopy and X-ray diffraction…”
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Exploring the Diversity and Dehydration Performance of New Mixed Tutton Salts (K2V1−xM’x(SO4)2(H2O)6, Where M’ = Co, Ni, Cu, and Zn) as Thermochemical Heat Storage Materials
Published in Physchem (01-09-2024)“…Tutton salts form an isomorphic crystallographic family that has been intensively investigated in recent decades due to their attractive thermal and optical…”
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Comprehensive analysis of the electronic, thermodynamic, and spectroscopic properties of a Cu(II)-based complex with 1,10-phenanthroline and L-glutamine
Published in Heliyon (30-10-2024)“…This study reports additional information's of geometric, electronic, thermodynamic, and vibrational properties of a Cu(II) complex with 1,10-phenanthroline…”
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Exploring Thermal Stability, Vibrational Properties, and Biological Assessments of Dichloro(l‑histidine)copper(II): A Combined Theoretical and Experimental Study
Published in ACS omega (29-10-2024)“…Dichloro(l-histidine)copper(II) crystal ([Cu(l-His)Cl2] complex) was obtained by the slow evaporation method and characterized concerning its thermal…”
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Synthesis, electronic and vibrational properties, solvation effects, ADME and cytotoxic assay of aqua-(1,10-phenanthroline)-tyrosinato-copper(II) nitrate dihydrate complex: experimental and theoretical studies
Published in Journal of materials science (01-06-2024)“…The present work reports the antitumor activity and a comprehensive study of the Cu(II) complex with 1,10-phenanthroline and l -tyrosine, synthesized by slow…”
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Assessment of phase transition and thermal expansion coefficients by means of secondary multiple reflections of Renninger scans
Published in Journal of applied crystallography (01-12-2019)“…This paper reports the successful extension of the basis of the X‐ray multiple diffraction phenomenon in the assessment of structural phase transitions and the…”
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Statistical process control of cocrystallization processes: A comparison between OPLS and PLS
Published in International journal of pharmaceutics (30-03-2017)“…[Display omitted] Orthogonal partial least squares regression (OPLS) is being increasingly adopted as an alternative to partial least squares (PLS) regression…”
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Phase Transformations of Azithromycin Crystals Investigated by Thermal and Spectroscopic Analyses Combined with Ab Initio Calculations
Published in Crystal growth & design (02-06-2021)“…In this research, we employed thermal analyses, X-ray diffraction, and Raman spectroscopy techniques to study the thermodynamic stability of the azithromycin…”
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Kröhnkite-type K2Mn(SO4)2(H2O)2 double salt: synthesis, structure, and properties
Published in Journal of materials science (01-05-2022)“…A comprehensive study of the K 2 Mn(SO 4 ) 2 (H 2 O) 2 double salt crystal with a kröhnkite-type framework is presented. Structural, morphological, thermal,…”
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New polymorphic phase of arachidic acid crystal: structure, intermolecular interactions, low-temperature stability and Raman spectroscopy combined with DFT calculations
Published in RSC advances (16-11-2023)“…Saturated monocarboxylic fatty acids with long carbon chains are organic compounds widely used in several applied fields, such as energy production, thermal…”
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Physicochemical properties calculated using DFT method and changes of 5-methyluridine hemihydrate crystals at high temperatures
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15-11-2022)“…[Display omitted] •5-methyluridine hemihydrate (5 mU) crystals were obtained by slow evaporation method.•Properties and vibrational spectra calculated by DFT…”
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Characterization of the Structural Environment of Dithionate Ions Associated with Their Role in the Crystal Habit Modification of Sodium Chlorate
Published in Crystal growth & design (06-06-2018)“…Sodium chlorate (NaClO3) crystals change from a cuboid to a tetrahedron of {1̅1̅1̅} morphology when crystallized in the presence of sodium dithionate (Na2S2O6)…”
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