The Effects of Humidity on Spontaneous Cocrystallization: A Survey of Diacid Cocrystals with Caffeine, Theophylline, and Nicotinamide

Davies, Riley D.; Vigilante, Nicolas J.; Frederick, Aaron D.; Mandala, Venkata S.; Mehta, Manish

doi:10.1007/s10870-022-00922-8

Cited by 8 publications

(7 citation statements)

References 32 publications

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“…In 2009, Maheshwari first demonstrated that carbamazepine (CBZ) anhydrous monoclinic form III could spontaneously form cocrystals with nicotinamide (NCT) form I or saccharin (SAC) under prolonged storage circumstances, and the spontaneous formation of new phases from directly mixed reactants is typically a thermodynamically stable phase with a negative change in free energy . Gradually, this approach has been used successfully in other systems, including caffeine and urea, theophylline-nicotinamide, and caffeine, theophylline, and nicotinamide with different dibasic chain carboxylic acids. , Visualization analysis using atomic force microscopy (AFM) reveals that typically volatile solids are more susceptible to spontaneous cocrystallization through surface reactions . Notably, this kinetic reaction process can be facilitated by many factors, including high temperature, high RH, and mechanochemical activation …”

Section: Strategies Of Mechanochemistrymentioning

confidence: 99%

“…82 Gradually, this approach has been used successfully in other systems, including caffeine and urea, 83 theophylline-nicotinamide, 84 and caffeine, theophylline, and nicotinamide with different dibasic chain carboxylic acids. 85,86 Visualization analysis using atomic force microscopy (AFM) reveals that typically volatile solids are more susceptible to spontaneous cocrystallization through surface reactions. 87 Notably, this kinetic reaction process can be facilitated by many factors, including high temperature, high RH, and mechanochemical activation.…”

Section: Resonant Acoustic Mixing (Ram)mentioning

confidence: 99%

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Mechanochemical Synthesis of Cocrystal: From Mechanism to Application

Xiao

et al. 2023

Crystal Growth & Design

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Cocrystal engineering is gaining interest across various disciplines since it can effectively tune the properties of solid substances via noncovalent synthesis by introducing new components into the lattice. Mechanochemistry is without a doubt the most valuable tool for the research of cocrystals, which combines the pursuit of efficient and sustainable process pathways with the exploration of supramolecular synthons that cannot be discovered using solution methods. In this review, concerning the significance of the mechanochemical synthesis of cocrystals, we begin by outlining the strategies for mechanochemical preparation of cocrystals. We then elaborate on the theoretical mechanisms of the mechanochemically induced formation of cocrystals and their polymorphs. On this foundation, several cross-fields in which mechanochemistry enhances the application value of cocrystal engineering are shown to overcome existing limitations, which are difficult or impossible to access using conventional solution methods. More importantly, we demonstrate that the introduction of new methods, such as cultivating single crystals from melt microdroplets, and new techniques, such as microelectron diffraction (Micro-ED), has harmoniously united the fields of cocrystal engineering and mechanochemistry. Finally, a brief conclusion and outlook are presented, including current challenges and future opportunities for the cooperation of mechanochemistry and cocrystal engineering.

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Section: Strategies Of Mechanochemistrymentioning

confidence: 99%

Section: Resonant Acoustic Mixing (Ram)mentioning

confidence: 99%

Mechanochemical Synthesis of Cocrystal: From Mechanism to Application

Xiao

et al. 2023

Crystal Growth & Design

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“…Other researchers underlined a possible participation of atmospheric moisture in facilitating cocrystal formation processes, as was the case of neat grinding of glycine and malonic acid, which form a very hygroscopic mixture, [24] as well as of spontaneous formation of caffeine, theophylline and nicotinamide cocrystals with diacid coformers, accelerated by an increase in humidity. [25] Typically, knowledge on mechanochemical formation of binaries is limited to information on the composition of the starting materials (input data) and the structure of the final products (output data). Attempts at in situ analysis of intermediate products are still rather rare and most conclusions about the reaction mechanism are based on ex situ analysis and macroscopic observations.…”

Section: Introductionmentioning

confidence: 99%

“…On the other hand, in the case of low‐melting eutectic mixtures even such an increase may cause local melting of components, which justifies the question about common aspects between ball milling and melting methods. Other researchers underlined a possible participation of atmospheric moisture in facilitating cocrystal formation processes, as was the case of neat grinding of glycine and malonic acid, which form a very hygroscopic mixture, [24] as well as of spontaneous formation of caffeine, theophylline and nicotinamide cocrystals with diacid coformers, accelerated by an increase in humidity [25] …”

Section: Introductionmentioning

confidence: 99%

A New Look at the Mechanism of Cocrystal Formation and Coformers Exchange in Processes Forced by Mechanical and/or Thermal Stimuli –ex situandin situStudies of Low‐Melting Eutectic Mixtures

Dudek,

Trzeciak,

Tajber

et al. 2024

Chemistry A European J

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Three different devices: ball‐mill, hot stage melting, and magic angle spinning (MAS) NMR rotor were used for the preparation of ethenzamide (ET) cocrystals with glutaric acid (GLU), ethylmalonic acid (EMA) and maleic acid (MAL) as coformers. The common features of the solvent‐free methods of cocrystal formation (grinding, melting) are presented on the basis of arguments obtained by solid state NMR spectroscopy. Thermal analysis proved that the eutectic phase arises over a wide range of molar ratios of components for each binary system. Experimental and theoretical methods allowed to provide details about the pathway of the reaction mechanism. It was found that the formation of ET cocrystals is a complex process that requires five steps. Variable temperature 1D and 2D MAS NMR experiments allowed to track physico‐chemical processes taking place in a molten state. Moreover, it was found that in a multicomponent mixture consisting of ET, EMA, GLU, and MAL, ET in the molten phase behaves as a specific selector choosing only one partner to form binary cocrystals according to energy preferences. The stabilization energies (Estab) and molecular electrostatic potential (MEP) maps computed for the cocrystals and their individual components rationalize the selection rules and explain the relationships between individual species.

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“…As a further indication of the scope of Jerry's research and the affection in which he was held by collaborators around the world, this special issue is being published in parallel with another in the Journal of Chemical Crystallography. The papers in that journal reflect more of Jerry's scientific interests including copper compounds, 1,2,4-triazoles, hydrogen and halogen bonding and other interactions, computational studies and pharmaceuticals (Amaral et al, 2022;Baraskar et al, 2022;Bhattacharjee et al, 2021;Boehm et al, 2022;Bu ¨lbu ¨l et al, 2021;Davies et al, 2022;Elshani et al, 2022;Kumari et al, 2022;Lobana et al, 2021;Lopez et al, 2021;Peloquin et al, 2022;Satheesh et al, 2022;Singh et al, 2022).…”

mentioning

confidence: 99%

Foreword to the special virtual issue in tribute to Jerry P. Jasinski

Manke¹,

Zeller²,

Butcher³

2022

Acta Cryst E

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When people think of science and scientists, often the picture of a lone genius, or of a renaissance man comes to mind. Somebody who, being extraordinary but not well understood, overcomes all obstacles on their own. Such times, even if we cherish the thought, are long gone. Today science, and crystallography even more so than most, is done in collaboration, with teams of people spanning many universities, countries, and continents, with each member contributing their unique abilities, joining together to solve today's challenges. Alone, we are little compared to what we can achieve together.Even among those masses that are each a small wheel that keeps the gears moving, there are unique and extraordinary people who stand out. People like Jerry P. Jasinski. People who take collaboration and service for others to a new level. Crystallography is, by its nature, something rarely done in a vacuum; most crystallographers routinely work and collaborate with others. But even in this field, Jerry Jasinski has been one of a kind. Those who knew him can confirm, he never said no when asked for help. He always stepped in, helped out, explained how things worked, and sparked the curiosity of others. The people Jerry worked with spanned the globe. From colleagues in the US, just down the road from Keene State, to research groups from dozens of countries from all inhabited continents of this planet.Jerry was born in Newport, New Hampshire, obtained his BA from the University of New Hampshire, did graduate work at UNH and Worcester Polytechnic Institute and obtained his PhD from the University of Wyoming. He worked as a secondary school teacher of chemistry and physics in New York, Vermont and New Hampshire, and eventually started as an Assistant Professor of Chemistry at Keene State College in 1978, where he remained for the rest of his career. In 1989, Jerry established the New England Molecular Structure Center with NSF funding, and thereafter established a framework for others to follow on doing crystallographic research at an undergraduate institution. His accomplishments are too long to list (Butcher, 2022), but his impact is evident on all who worked with him.Jerry was known throughout the New England chemistry community, most notably as Chair of the Northeastern Section of the American Chemical Society and the president of the New England Institute of Chemists. Beyond his very active involvement in professional societies, Jerry was known by all he interacted with as a caring and selfless man who would gladly put out his hand to help others. He touched chemists in High Schools, students and teachers, in Universities, students and faculty, and took special pride in helping younger chemists progress. His kind heart and boisterous laugh will be sadly missed.Jerry was a prolific scientific author and a strong contributor to Acta Crystallographica, having published 365 articles in this journal alone! He also served as a Co-editor from 2009-2012 and was always happy to help authors to improve their submissions. To honor his me...

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The Effects of Humidity on Spontaneous Cocrystallization: A Survey of Diacid Cocrystals with Caffeine, Theophylline, and Nicotinamide

Cited by 8 publications

References 32 publications

Mechanochemical Synthesis of Cocrystal: From Mechanism to Application

Mechanochemical Synthesis of Cocrystal: From Mechanism to Application

A New Look at the Mechanism of Cocrystal Formation and Coformers Exchange in Processes Forced by Mechanical and/or Thermal Stimuli –ex situandin situStudies of Low‐Melting Eutectic Mixtures

Foreword to the special virtual issue in tribute to Jerry P. Jasinski

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