Angela Altomare
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View article: The AI-based phase-seeding (AI-PhaSeed) method: early applications and statistical analysis
The AI-based phase-seeding (AI-PhaSeed) method: early applications and statistical analysis Open
The crystallographic challenge of structure determination is nowadays effectively supported by advanced computational methods, such as direct methods and Patterson techniques, implemented in sophisticated software. With the rapid expansion…
View article: The phase-seeding method for solving non-centrosymmetric crystal structures: a challenge for artificial intelligence
The phase-seeding method for solving non-centrosymmetric crystal structures: a challenge for artificial intelligence Open
The overall crystallographic process involves acquiring experimental data and using crystallographic software to find the structure solution. Unfortunately, while diffracted intensities can be measured, the corresponding phases – needed to…
View article: Choline Chloride/Urea – Promoted Iodocyclization of 3‐Alkynylthiophene‐2‐carboxamides: A Green Synthesis of 4‐Iodo‐7<i>H</i>‐thieno[2,3‐<i>c</i>]pyran‐7‐imines and Their Coupling Reactions in Deep Eutectic Solvents
Choline Chloride/Urea – Promoted Iodocyclization of 3‐Alkynylthiophene‐2‐carboxamides: A Green Synthesis of 4‐Iodo‐7<i>H</i>‐thieno[2,3‐<i>c</i>]pyran‐7‐imines and Their Coupling Reactions in Deep Eutectic Solvents Open
A green approach to a previously unknown class of iodine‐containing heterocycles, namely 4‐iodo‐7 H ‐thieno[2,3‐ c ]pyran‐7‐imines, by iodocyclization of readily available 3‐alkynylthiophene‐2‐carboxamides in a deep eutectic solvent (DES) …
View article: Front Cover: Unveiling the Structural Complexity of Lithium Organozinc Alkoxo Clusters and their Applications to Enantioselective Michael Addition Reactions (Eur. J. Inorg. Chem. 34/2024)
Front Cover: Unveiling the Structural Complexity of Lithium Organozinc Alkoxo Clusters and their Applications to Enantioselective Michael Addition Reactions (Eur. J. Inorg. Chem. 34/2024) Open
View article: Unveiling the Structural Complexity of Lithium Organozinc Alkoxo Clusters and their Applications to Enantioselective Michael Addition Reactions
Unveiling the Structural Complexity of Lithium Organozinc Alkoxo Clusters and their Applications to Enantioselective Michael Addition Reactions Open
We report three novel lithium zincate alkoxo clusters, which can be accessed through a convenient co‐complexation reaction of the corresponding dialkylzinc derivatives with lithium alkoxides of the formula [LiO(CH 2 ) 2 N(CH 3 ) 2 ], or vi…
View article: New Findings on the Crystal Polymorphism of Imepitoin
New Findings on the Crystal Polymorphism of Imepitoin Open
Scientific and industrial reasons dictate the study of the solid state of imepitoin, a highly safe and tolerable anticonvulsant drug used in the therapy of epileptic dogs that was approved in the Europe Union in 2013. Our investigations al…
View article: CCDC 2281317: Experimental Crystal Structure Determination
CCDC 2281317: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Re-examination of vesbine in vanadate-rich sublimate-related associations of Vesuvius (Italy): Mineralogical features and origin
Re-examination of vesbine in vanadate-rich sublimate-related associations of Vesuvius (Italy): Mineralogical features and origin Open
A set of 23 vesbine-bearing samples from Vesuvius volcano (Italy), preserved in the collection of the Royal Mineralogical Museum of Naples, University Federico II (RMMN), have been investigated to identify the mineral assemblages and their…
View article: A further pocket or conformational plasticity by mapping COX-1 catalytic site through modified-mofezolac structure-inhibitory activity relationships and their antiplatelet behavior
A further pocket or conformational plasticity by mapping COX-1 catalytic site through modified-mofezolac structure-inhibitory activity relationships and their antiplatelet behavior Open
View article: Resolving a structural issue in cerium-nickel-based oxide: a single compound or a two-phase system?
Resolving a structural issue in cerium-nickel-based oxide: a single compound or a two-phase system? Open
Preparation of CeNiO 3 in order to elucidate the actual crystal structure with the aim of establishing a structure–property relationship. Three different structural models were proposed accompanied by detailed structural analysis.
View article: CCDC 2270114: Experimental Crystal Structure Determination
CCDC 2270114: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2270776: Experimental Crystal Structure Determination
CCDC 2270776: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2278132: Experimental Crystal Structure Determination
CCDC 2278132: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2270145: Experimental Crystal Structure Determination
CCDC 2270145: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Synthesis of benzothienofuranones and dihydrobenzothienopyranones by palladium iodide-catalyzed carbonylative double cyclization
Synthesis of benzothienofuranones and dihydrobenzothienopyranones by palladium iodide-catalyzed carbonylative double cyclization Open
3-(2-(Methylthio)phenyl)prop-2-yn-1-ols have been successfully converted in one synthetic step into benzo[4,5]thieno[2,3-c]furan-1-ones by a PdI2/KI-catalyzed oxidative carbonylative double cyclization process, performed in MeCN under rela…
View article: Navigating the Complex Solid Form Landscape of the Quercetin Flavonoid Molecule
Navigating the Complex Solid Form Landscape of the Quercetin Flavonoid Molecule Open
Data related to the paper published in Crystal Growth & Design, with doi:https://doi.org/10.1021/acs.cgd.3c00584. Quercetin, a naturally occurring bioflavonoid substance widely used in the nutraceutical and food industries, exists in vario…
View article: CCDC 2248118: Experimental Crystal Structure Determination
CCDC 2248118: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Navigating the Complex Solid Form Landscape of the Quercetin Flavonoid Molecule
Navigating the Complex Solid Form Landscape of the Quercetin Flavonoid Molecule Open
Data related to the paper published in Crystal Growth & Design, with doi:https://doi.org/10.1021/acs.cgd.3c00584. Quercetin, a naturally occurring bioflavonoid substance widely used in the nutraceutical and food industries, exists in vario…
View article: Navigating the Complex Solid Form Landscape of the Quercetin Flavonoid Molecule
Navigating the Complex Solid Form Landscape of the Quercetin Flavonoid Molecule Open
Quercetin, a naturally occurring bioflavonoid substance widely used in the nutraceutical and food industries, exists in various solid forms that can have different physicochemical properties, thus impacting this compound's performance in v…
View article: Electrochemical and Structural Characterization of Lanthanum-Doped Hydroxyapatite: A Promising Material for Sensing Applications
Electrochemical and Structural Characterization of Lanthanum-Doped Hydroxyapatite: A Promising Material for Sensing Applications Open
In the quest to find powerful modifiers of screen-printed electrodes for sensing applications, a set of rare earth-doped Ca10−xREx(PO4)6(OH)2 (RE = La, Nd, Sm, Eu, Dy, and Tm and x = 0.01, 0.02, 0.10, and 0.20) hydroxyapatite (HAp) samples…
View article: CCDC 2165724: Experimental Crystal Structure Determination
CCDC 2165724: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2165723: Experimental Crystal Structure Determination
CCDC 2165723: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2165722: Experimental Crystal Structure Determination
CCDC 2165722: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Structural Characterization of Low-Sr-Doped Hydroxyapatite Obtained by Solid-State Synthesis
Structural Characterization of Low-Sr-Doped Hydroxyapatite Obtained by Solid-State Synthesis Open
Strontium-substituted Ca10(PO4)6(OH)2 hydroxyapatite (HAp) powders, with Sr wt% concentrations of 2.5, 5.6 and 10%, were prepared by a solid-state synthesis method. The chemical composition of the samples was accurately evaluated by using …
View article: Ag2WO4 as a multifunctional material: Fundamentals and progress of an extraordinarily versatile semiconductor
Ag2WO4 as a multifunctional material: Fundamentals and progress of an extraordinarily versatile semiconductor Open
View article: Highly chemoselective conjugate addition of lithium tetraorganozincates to coumarin derivatives and functionalization with electrophiles
Highly chemoselective conjugate addition of lithium tetraorganozincates to coumarin derivatives and functionalization with electrophiles Open
The nucleophilic addition (alkylation/arylation) of lithium tetraorganozincate species (R4ZnLi2) to coumarin derivatives takes place cleanly, with a short reaction time (30 min) and with high chemoselectivity, when working under mild condi…
View article: 1,3‐Dipolar Cycloaddition of Alkanone Enolates with Azides in Deep Eutectic Solvents for the Metal‐Free Regioselective Synthesis of Densely Functionalized 1,2,3‐Triazoles
1,3‐Dipolar Cycloaddition of Alkanone Enolates with Azides in Deep Eutectic Solvents for the Metal‐Free Regioselective Synthesis of Densely Functionalized 1,2,3‐Triazoles Open
An eco‐friendly metal‐free protocol was developed for the regioselective synthesis of densely functionalized 1,2,3‐triazoles through a 1,3‐dipolar cycloaddition reaction of alkanone enolates with azides performed in the environmentally res…
View article: Solving molecular compounds from powder diffraction data: are results always reliable?
Solving molecular compounds from powder diffraction data: are results always reliable? Open
Commentary is given on a paper [Schlesinger et al. (2022). IUCrJ, 9, 406-424.] reporting on ambiguous structure determination from powder data using four different structural models of 4,11-difluoroquinacridone with si…
View article: Dynamic Phenomena and Complexation Effects in the α-Lithiation and Asymmetric Functionalization of Azetidines
Dynamic Phenomena and Complexation Effects in the α-Lithiation and Asymmetric Functionalization of Azetidines Open
In this work it is demonstrated that enantiomerically enriched N-alkyl 2-oxazolinylazetidines undergo exclusive α-lithiation, and that the resulting lithiated intermediate is chemically stable but configurationally labile under the given e…
View article: CCDC 1996155: Experimental Crystal Structure Determination
CCDC 1996155: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …