Project

CORE - European Training Network on Continuous Resolution and Deracemization of Chiral Compounds by Crystallization

Goal: CORE is a Horizon2020 Marie Skłodowska-Curie Innovative Training Network on Continuous Resolution and Deracemization of Chiral Compounds by Crystallization to start on the 1st of October 2016. CORE brings together 8 academic and 7 industrial partners from 6 European countries resulting in an unparalleled combination of chirality, synthesis and crystallization training and research covering the areas of Chemical Engineering, Chemistry and Applied Physics.

Methods: Towards Continuous Resolution, Hybrid Resolution Processes, Enabling Resolution

Date: 1 October 2016 - 30 September 2020

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Claire Scott
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Congratulations to CORE Innovative Training Network ESRs, Carola Tortora and Francesca Cascella whose image was chosen as the cover for ChemPhysChem [online: 24 August 2020]
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Abstract
The Cover Feature summarizes the results of a joint computational and experimental study demonstrating that faster racemization through water‐catalyzed enolization could result in faster deracemization of a scalemic slurry of a chiral hydrazine derivative. More information can be found in the Article by Carola Tortora and Francesca Cascella et al.
 
Claire Scott
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Abstract: A significant amount of attention has been given to the design and synthesis of cocrystals by both industry and academia because of its potential to change a molecule’s physicochemical properties. Yet, difficulties arise when searching for adequate combinations of molecules (or coformers) to form cocrystals, hampering the efficient exploration of the target’s solid‐state landscape. This paper reports on the application of a data‐driven cocrystal prediction method, based on two types of artificial neural network models and cocrystal data present in the Cambridge Structural Database. The models accept pairs of coformers and predict whether a cocrystal is likely to form. By combining the output of multiple models of both types, our approach shows to have excellent performance on the proposed cocrystal training and validation sets, and has an estimated accuracy of 80% for molecules for which previous cocrystallization data is unavailable.
 
Claire Scott
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Claire Scott
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Abstract: Solid-state deracemization via temperature cycles is a technique that has been shown to be effective to isolate the pure enantiomer of a conglomerate-forming compound. This process has a large number of operating parameters that can be adjusted according to system-specific properties. On the one hand, this feature makes the process flexible and prone to optimization. On the other hand, the design space is so large that experimental optimization of the process can become long and cumbersome. In this work, we achieve two results. First, we show that deracemization via temperature cycles works very effectively for two new experimental systems, namely, the chiral compounds 2-(benzylideneamino)-2-(2-chlorophenyl)acetamide (CPG) and 3,3-dimethyl-2-((naphthalen-2-ylmethylene)amino)butanenitrile (tLEU). Second, we propose a new approach for the design of an effective deracemization process via temperature cycles for a new compound. Therefore, in this work, we investigate the effect of different operating conditions, namely, the initial enantiomeric excess, the cooling rate, the temperature range, and the catalyst concentration, on the performance of deracemization via temperature cycles for the new compounds CPG and tLEU and for N-(2-methylbenzylidene)phenylglycine amide (NMPA), which was already studied in a previous paper. On the basis of these outcomes, we conclude by proposing a model-free screening strategy for the design of an effective deracemization process via temperature cycles for a new compound.
 
Claire Scott
added an update
Chiral molecules separation is an important topic for pharmaceutical industries and the world of drug manufacturing. Due to differences for enantiomers in terms of interactions with the human body, properties and effects of chiral compounds are strictly watched when designing a medicine. Often, separation of one pure enantiomer (active form) is required, but this process is complicated by the physicochemical properties of enantiomers that are exactly the same. This educational video tackles this problem through the example of Praziquantel, a drug used to treat schistosomiasis disease. It explains the aim of the CORE project, whose expertise focuses on separation of enantiomers by crystallization.
Check out the video here: https://youtu.be/_r-rFPIJGNg
#molecules #chiral #chirality #deracemization #chiralmolecules, #chiralseparation #enantiomers #enantiomerseparation #crystals #crystallization #mariecurie #MSCAITN #MSCA #europeanproject #H2020 #ITN #drug #medicine #health #industrialcrystallization #crystallisation #chemistry #drugdesign #drugmanufacturing #physics #materialsscience #praziquantel #schistosomiasis #CORE #science #pharmaceutical #medicalscience #research #racemicseparation #racemicmixture #chiralresolution
 
Claire Scott
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The MSCA ETN CORE Network has just published a new video which we created about the network, its general aims and the experience of our early stage researchers within the network.
 
Claire Scott
added an update
Abstract: Viedma deracemization is based on solution phase racemization, dissolution of racemic or scalemic conglomerates and crystal growth through autocatalytic cluster formation. With rate limiting racemization, its acceleration by appropriate catalysts may result in speeding up deracemization. A conglomerate forming chiral compound may principally racemize directly, or via reverse of its formation reaction. For a hydrazine derivative, we investigated available racemization pathways in presence of pyrrolidine or thiourea amine as base catalysts: via Mannich or aza‐Michael reaction steps and their reverse, or by enolization. Racemization by enolization was computationally found to dominate, both under water‐free conditions and in presence of water, involving a multitude of different pathways. Faster racemization in presence of water resulted indeed in more rapid deracemization, when base was pyrrolidine. Under water‐free conditions, role of water as enolization catalyst is assumed by chiral hydrazine itself ‐ in autocatalytic racemization and in which both reactant and product are catalysts.
 
Claire Scott
added an update
Abstract: A cocrystal screening of the chiral drug “proxyphylline” (PXL) and achiral coformers was performed using dry or solvent as-sisted grinding and evaporation methods, yielding 10 different original solid forms with a 1:1 stoichiometry. Among them three anhydrous cocrystals and a monohydrated conglomerate forming system have been identified with salicylic acid (SA). The crystal structures of the monohydrate and one of the race-mic anhydrous forms were determined by X-ray single crystal experiments. The dehydration mechanism of the hydrate has been investigated by thermal analysis, X-Ray powder diffrac-tion, and water sorption-desorption cycles. The importance of water molecule in the crystal structure and the concomitant loss of both water and SA (cocrystal former) during the dehy-dration suggest a destructive mechanism.
 
Claire Scott
added a research item
A cocrystal screening of the chiral drug “proxyphylline” (PXL) and achiral coformers was performed using dry or solvent as-sisted grinding and evaporation methods, yielding 10 different original solid forms with a 1:1 stoichiometry. Among them three anhydrous cocrystals and a monohydrated conglomerate forming system have been identified with salicylic acid (SA). The crystal structures of the monohydrate and one of the race-mic anhydrous forms were determined by X-ray single crystal experiments. The dehydration mechanism of the hydrate has been investigated by thermal analysis, X-Ray powder diffrac-tion, and water sorption-desorption cycles. The importance of water molecule in the crystal structure and the concomitant loss of both water and SA (cocrystal former) during the dehy-dration suggest a destructive mechanism.
Claire Scott
added 2 research items
The monohydrated co‐crystal composed of the chiral active pharmaceutical ingredient proxyphyline, of salicylic acid and of water, was successfully resolved by preferential crystallization (PC) from a water/ethanol mixture. To the best of our knowledge, this is the first report of PC applied to such system and the results highlight unusually high enantiomeric excess values attainable in the mother liquor. Our robust and reproducible results underline the potential of PC to resolve co‐crystal systems.
We have established that ethylammonium chlocyphos also belongs to a family of conglomerate-forming systems composed of chlocyphos and alkyl-amine. The pure enantiomer and racemic mixture exhibit very close X-ray powder diffraction patterns but with some peak shifts. This led to consider that ethylammonium chlocyphos could crystallize as a conglomerate but with partial solid solutions close to the pure enantiomer. The crystal structures of the pure (S)- and (R)-ethylammonium chlocyphos have been solved using single crystal data. The temperature-composition binary phase diagram between the two enantiomers of ethylammonium chlocyphos system has been investigated to determine the limit of the solid solutions. This was confirmed by a Tammann plot related to the eutectic invariant characterizing the melting of the conglomerate. The limit of the composition range of the partial solid solutions was confirmed by X-ray powder diffraction measurements on different enantiomeric compositions.
Claire Scott
added an update
"Resolution by Preferential Crystallization of Proxyphylline by using its Salicylic Acid Monohydrate Co‐crystal" Lina Harfouche, Clément Brandel, Yohann Cartigny, Samuel Petit & Gérard Coquerel 2020) Chemical Engineering & Technology
Abstract
The monohydrated co‐crystal composed of the chiral active pharmaceutical ingredient proxyphyline, of salicylic acid and of water, was successfully resolved by preferential crystallization (PC) from a water/ethanol mixture. To the best of our knowledge, this is the first report of PC applied to such system and the results highlight unusually high enantiomeric excess values attainable in the mother liquor. Our robust and reproducible results underline the potential of PC to resolve co‐crystal systems.
 
Claire Scott
added an update
Aliou Mbodji: “Evidence of conglomerate with partial solid solutions in ethylammonium chlocyphos“ Aliou Mbodji, Gabin Gbabode, Morgane Sanselme, Yohann Cartigny, Nicolas Couvrat, Michel Leeman, Valérie Dupray, Richard M. Kellogg and Gérard Coquerel (2019) Crystal Growth & Design
ABSTRACT: We have established that ethylammonium chlocyphos also belongs to a family of conglomerateforming systems composed of chlocyphos and alkyl-amine. The pure enantiomer and racemic mixture exhibit very close X-ray powder diffraction patterns but with some peak shifts. This led to consider that ethylammonium chlocyphos could crystallize as a conglomerate but with partial solid solutions close to the pure enantiomer. The crystal structures of the pure (S)- and (R)-ethylammonium chlocyphos have been solved using single crystal data. The temperaturecomposition binary phase diagram between the two enantiomers of ethylammonium chlocyphos system has been investigated to determine the limit of the solid solutions. This was confirmed by a Tammann plot related to the eutectic invariant characterizing the melting of the conglomerate. The limit of the composition range of the partial solid solutions was confirmed by X-ray powder diffraction measurements on different enantiomeric compositions.
 
Claire Scott
added an update
Read the latest CORE Blog post "An Interview with Two CORE Early Career Researchers" @COREITN https://www.researchgate.net/project/CORE-European-Training-Network-on-Continuous-Resolution-and-Deracemization-of-Chiral-Compounds-by-Crystallization #H2020 #phdlife #ResearchImpactEU #STEM #publishing #writing #crystals #crystallisation #crystallization #chirality
We asked two Early Stage Researchers – Ghufran ur Rehman and Francesca Cascella – from the CORE Innovative Training Network about their background, their research and their experience over the last three years. … Continue reading https://coreitn.wordpress.com/2020/01/30/an-interview-with-two-core-early-career-researchers/
 
Claire Scott
added an update
Read the latest CORE Blog post "An Industry Perspective" by @COREITN @MSCActions Industry Partner Mihaela Pop from TeraCrystal https://www.teracrystal.com/ #H2020 #phdlife #ResearchImpactEU #STEM #publishing #writing #crystals #crystallisation #crystallization #chirality
Through participation as an associate partner of the CORE Innovative Training Network, in June 2019, TeraCrystal hosted three Early Stage Researchers: Giuseppe Belletti, Jan-Joris Devogelaer, and Aliou Mbodji. As an industrial partner of CORE, who specialise in research and solid-state crystallisation of pharmaceuticals, it was our duty and great pleasure to introduce Aliou, Giuseppe, and … Continue reading https://coreitn.wordpress.com/2020/01/23/an-industry-perspective/
 
Claire Scott
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"Exploiting ternary solubility phase diagrams for resolution of enantiomers: An instructive example” F. Cascella, A. Seidel-Morgenstern, H. Lorenz (2019) Chemical Engineering & Technology
"Efficient resolution of racemic guaifenesin via batch preferential crystallization processes“ F. Cascella, E. Temmel, A. Seidel-Morgenstern, H. Lorenz (2019) Organic Process Research & Development
 
Claire Scott
added a research item
The picture displays a population of racemic conglomerate crystals of a BINOL derivative undergoing deracemization through Viedma ripening, leading to the formation of enantiopure crystals. The combined use of UV light and an organic base is an essential prerequisite to allow the compound to continuously racemize in solution via an ESPT (excited state proton transfer) mechanism. This research represents the first successful Viedma ripening deracemization of a chiral compound with the use of a cheap and green source, such as UV light, as a racemization tool. More information can be found in the Full Paper by S. B. Tsogoeva, E. Vlieg et al. (DOI: 10.1002/chem.201904382).
Claire Scott
added an update
Congratulations to CORE Innovative Training Network ESRs, Giuseppe Belletti and Carola Tortora whose image from their article was chosen as the cover for Chemistry - A European Journal [online: 11 December 2019] To read a profile on the cover, click here
 
Claire Scott
added an update
Congratulations to CORE Innovative Training Network ESR, Ryusei Oketani whose image from an article was chosen as the cover for volume 25, issue 61 of Chemistry - A European Journal To read a profile on the cover, click here https://onlinelibrary.wiley.com/doi/10.1002/chem.201904004
 
Claire Scott
added a research item
Viedma ripening is a deracemization process that has been used to deracemize a range of chiral molecules. The method has two major requirements: the compound needs to crystallize as a conglomerate and it needs to be racemizable under the crystallization conditions. While conglomerate formation can be induced in different ways, the number of racemization methods is still rather limited. In order to extend the scope of Viedma ripening, in the present research we applied UV light‐induced racemization in a Viedma ripening process, and report the successful deracemization of a BINOL derivative crystallizing as a conglomerate. Irradiation by UV light activates the target compound in combination with an organic base, required to promote the excited‐state proton transfer ( ESPT ), leading thereafter to racemization . This offers a new tool towards the development of Viedma ripening processes, by using a cheap and “green” catalytic source like UV light to racemize suitable chiral compounds.
Claire Scott
added an update
Brigitta Bodak: “Effect of Initial Conditions on Solid-State Deracemization via Temperature Cycles: A Model-Based Study“ Brigitta Bodák, Giovanni Maria Maggioni and Marco Mazzotti* (2019) Crystal Growth & Design
Abstract
Solid-state deracemization via temperature cycles is a technique to obtain a pure powder of the desired enantiomer of a conglomerate forming compound from an initial mixture of both solid enantiomers, through a combination of dissolution and growth due to size-dependent solubility, in the presence of racemization in solution. The complexity of the process requires a mathematical model to understand the effect of initial conditions and operating parameters on the process outcome and performance. To this aim, we use our recently developed population balance based model of deracemization through temperature cycles to explain the large variations in deracemization time and in process outcome that are observed in experiments. We show how the direction of the evolution toward one or the other pure enantiomer is influenced by the initial asymmetries between the crystal populations of the two enantiomers. We observe how the process response varies to changes in the initial conditions and compare performance based on productivity. As for the operating conditions, we have performed simulations in the presence of attrition to investigate the effect of process conditions and system properties.
 
Claire Scott
added an update
Congratulation to the CORE Early Stage Researchers who have recently had their work published:
Jan-Joris Devogelaer: "Cocrystal design by network-based link prediction" J. Devogelaer, S. Brugman, H. Meekes, P. Tinnemans, E. Vlieg and R. de Gelder (2019) CrystEngComm.
Lina Harfouche: “Enabling direct Preferential Crystallization in a Stable Racemic Compound System“ L C. Harfouche, C. Brandel, Y. Cartigny, J. H. ter Horst, G Coquerel, and S Petit (2019) Molecular Pharmaceutics
Giuseppe Belletti and Raghunath Venkatramanan: “Towards Continuous Deracemization via Racemic Crystal Transformation monitored by in-situ Raman Spectroscopy“ C. Xiouras, G. Belletti, R. Venkatramanan, A. Nordon, H. Meekes, E. Vlieg, G. D. Stefanidis, and J. H. Ter Horst (2019) Crystal Growth & Design
Shashank Bhandari: “Shortcut Model for Describing Isothermal Batch Preferential Crystallization of Conglomerates and Estimating the Productivity“ S. Bhandari, T. Carneiro, E. Temmel, H. Lorenz, and A. Seidel-Morgenstern (2019) Crystal Growth & Design
 
Claire Scott
added 4 research items
Invited for the cover of this issue is the group of Gérard Coquerel at Université de Rouen Normandie. The image depicts pyramid‐like tetrahedron of the quaternary phase diagram showing where symmetry breaking can take place. Read the full text of the article at 10.1002/chem.201903338. “In our daily life, map apps are essential for many people to access their destinations. Phase diagrams play a similar role to map apps in the crystallization.” Read more about the story behind the cover in the Cover Profile and about the research itself on page ▪ ▪ ff. (DOI: 10.1002/chem.201903338).
In this work, we demonstrate a semi-batch solid-state deracemization process for N-(2-chlorobenzylidene)-phenylglycine amide (NCPA), a complex chiral polymorphic system that involves three types of crystalline racemates (racemic compound and conglomerate forms I and II). In this process, gradually fed metastable racemic compound crystals are converted in situ to crystals of the preferred (seeded) enantiomer under grinding conditions through a series of solvent-mediated transformations in a racemizing solution. The phase diagram for this system shows that while conglomerate form II is stable at the conditions examined (acetonitrile at 21°C), form I crystals of a single enantiomer (used as seeds) are unstable at (nearly) racemic compositions and convert to the racemic compound upon addition of the racemization catalyst. Thus, care needs to be exercised in order to fully convert form I to form II before addition of the racemization catalyst in order to prevent the undesired crystallization of the racemic compound. This can be achieved by adding a small amount of water, which is found to enhance the nucleation and growth kinetics of the most stable conglomerate form II, eventually leading to complete deracemization. Importantly, we show that this special deracemization process can be easily monitored online by Raman spectroscopy, which gives access to the evolution of the solid phase composition. For the studied system, this information can in turn be used to directly estimate the solid-phase enantiomeric excess online throughout the process, as long as conglomerate crystals of the counter enantiomer do not form.
Phase diagrams play a critical role for tuning crystallization. This study explains the basics of phase diagrams starting from the ternary system to a quaternary system with and without fast racemization in the liquid phase. Experimentally, an atropisomeric naphthamide derivative in MeOH/H2O serves as an example. Deracemization is ensured by a second‐order asymmetric transformation up to 97% ee. Readers are encouraged to look at the animation (in the Supporting Information) detailing the construction of the degenerated quaternary system in a step‐by‐step manner. More information can be found in the Full Paper by G. Coquerel et al. (DOI: 10.1002/chem.201903338).
Claire Scott
added an update
Read the latest CORE Blog post "Experiences of a Newcomer" by @COREITN @MSCActions ESR Maxime Charpentier based at University of Strathclyde, UK #H2020 #phdlife #ResearchImpactEU #STEM #publishing #writing #crystals #crystallisation #crystallization #chirality https://coreitn.wordpress.com/2019/10/22/experiences-of-a-newcomer/
 
Claire Scott
added 2 research items
The present study aimed at screening conglomerate derivatives of racemic chlocyphos (4-(2-chlorophenyl)-5, 5-dimethyl-2-hydroxy-1, 3, 2-dioxaphosphorinane 2-oxide) and to perform enantiomeric separation by preferential crystallization. A list of more than twenty chlocyphos salt derivatives were characterized by various techniques (SHG, DSC and X-ray powder diffraction). A family of salts formed with various alkyl amines crystallize as conglomerates is evidenced. The first attempts to resolve these conglomerates by preferential crystallization at small scale were successful. The mitigated performances of these entrainments are discussed.
We report herein, a productive deracemization process based on a quaternary phase diagram study of a naphthamide derivative. New racemic compounds of an atropisomeric naphthamide derivative were discovered, and a quarternay phase diagram was constructed which indicated that four solids were stable in a methanol/H2O solution. Based on the heterogeneous equilibria study showing the stable domain of the conglomerate, a second‐order asymmetric transformation was achieved up to 97% ee. Further, the methodology showcases the chiral separation of a stable racemic compound forming system and does not suffer from any typical limitations of deracemization, but application is still limited to conglomerate forming systems. We anticipate that this demonstration will serve as a fundamental model for the design of sophisticated chiral separation processes.
Claire Scott
added an update
The #EUfunded CORE project is developing ways for the pharmaceutical industry to produce safer, more effective medicines by researching better crystallisation methods for separating #chiral compounds. #EUHealthResearch #ResearchImpactEU
 
Claire Scott
added an update
Read the latest CORE Guest blog post “Learning is the only thing the mind never exhausts, never fears and never regrets”” by @COREITN Visiting Researcher Dr Christos Xiouras #H2020 #phdlife #ResearchImpactEU #STEM #publishing #writing #crystals #crystallisation #crystallization #chirality https://coreitn.wordpress.com/2019/04/05/interesting-and-unpublished-is-equivalent-to-non-exist/
 
Claire Scott
added an update
Congratulation to the CORE Early Stage Researchers who have recently had their work published:
Jan-Joris Devogelar: “Cocrystals in the Cambridge Structural Database: a network approach” Jan-Joris Devogelaer, Hugo Meekes, Elias Vlieg and René de Gelder (2019) Acta Crystallographica Section B: A Journal of the International Union of Crystallography
Ryusei OketaniResolution of an atropoisomeric naphthamide by second-order asymmetric transformation: A highly productive technique” Ryusei OKETANI, Marine Hoquante, Clément Brandel, Pascal Cardinael, and Gérard Coquerel (2019) Organic Process Research and Development
Franscesca Breveglieri: “Role of Racemization Kinetics in the Deracemization Process via Temperature Cycles” Francesca Breveglieri and Marco Mazzotti (2019) Crystal Growth & Design
Francesca Cascella: “Resolution of Racemic Guaifenesin Applying a Coupled Preferential Crystallization-Selective Dissolution Process: Rational Process Development” Erik Temmel, Matthias J. Eicke, Francesca Cascella, Andreas Seidel-Morgenstern, and Heike Lorenz (2019) Crystal Growth & Design
 
Claire Scott
added 3 research items
Herein, we report the chiral symmetry breaking of 2-methoxy-1-naphthamide atropisomers through temperature cycling with-out the use of any racemization reagent. The racemization rate (k1) controls the deracemization process when the cooling of the slurry is slow enough to keep the system close to equilibri-um. The productivity appears proportional to the racemization rate (k1) multiplied by the solubility.
Stable NH-form of the threonine-based Schiff base 4, (2S,3R)-3-((tert-butyldimethylsilyl)oxy)-2-(((E)-(2-hydroxynaphthalen-1-yl)methylene)amino)butanamide, was synthesized and characterized in the crystalline state by means of IR spectroscopy and X-ray crystallographic analysis. This is the first X-ray determination of an amino acid-based Schiff base that was locked in the NH-form. Comparison of the characteristic bond lengths based on the X-ray structure of 4 with previously reported NH-forms of other Schiff bases revealed that the structure of 4 was a hybrid of two canonical structures, namely, zwitterion and quinoid, contributing to the resonance. It was also found that 4 exist in the OH-form in solution and its phenolic proton is well-constrained via intramolecular hydrogen bonding with the imine functionality.
Temperature-cycle-induced deracemization (TCID) has been widely studied in the field of chiral separation, ranging from fundamental research to applications. In this study, the second-order asymmetric transformation (SOAT) of 2-methoxy-1-naphthamide in an azeotropic mixture of ethyl acetate and cyclohexane is compared with TCID, in terms of process productivity. The results indicate that the volumetric productivity using SOAT was over 100-times higher than that using TCID, such that a scale-up by a factor of 10 was easily implemented.
Claire Scott
added an update
Read the latest CORE blog post "“Interesting and Unpublished” Is Equivalent to “Non-existent”" by @COREITN @MSCActions ESR Ryusei Oketani based at University of Rouen, France #H2020 #phdlife #ResearchImpactEU #STEM #publishing #writing #crystals #crystallisation #crystallization #chirality https://coreitn.wordpress.com/2019/04/05/interesting-and-unpublished-is-equivalent-to-non-exist/
 
Claire Scott
added an update
Read the latest CORE blog post "A Window Into Your Future" by @COREITN @MSCActions ESR Francesca Cascella based at Otto -von- Guericke University Magdeburg, Germany #H2020 #phdlife #ResearchImpactEU #STEM #secondments #mobility #crystals #crystallisation #crystallization #chirality https://coreitn.wordpress.com/2019/02/27/a-window-into-your-future/
 
Claire Scott
added an update
New publication by CORE ITN MSCActions ESR Ryusei Oketani Hiroki Takahashi, Marine Hoquante, Clément Brandel, Pascal Cardinael, Gérard, Coquerel (2019) NH-form of a threonine-based Schiff base in the solid state, Journal of Molecular Structure, Pages 36-40
Highlights
• Crystal structure of threonine-based Schiff base was revealed by SC-XRD.
• Stable NH-form of imine-phenol/keto-amine tautomerism was observed in solid state.
• Disorder between the quinoid and zwiterionic forms have been proved.
 
Claire Scott
added an update
New publication by CORE ITN MSCActions ESR Brigitta Bodák, Giovanni Maria Maggioni and Marco Mazzotti, Population-Based Mathematical Model of Solid-State Deracemization via Temperature Cycles, Oct 2018, Crystal Growth & Design
 
Claire Scott
added an update
New publication by CORE ITN MSCActions ESR Giuseppe Belletti, Hugo Meekes , Floris P. J. T. Rutjes and Elias Vlieg Role of Additives during Deracemization Using Temperature Cycling, Oct 2018, Crystal Growth & Design
 
Claire Scott
added an update
The #CORECrystalGrowth competition entries can now be viewed on our web-site https://ift.tt/2oeshFy
CORE Early Stage Researchers (ESRs) have organised a European crystal growth competition for high schools in the neighbourhood of the ESR host institutions  (France, Germany, Netherlands, UK, Switzerland).  High school students were invited to the host institute for an introduction about the CORE Project, MSCA and their scientific work in crystallization and a lab tour. The students were then provided with the materials and methods to grow Sodium Bromate ( NaBrO3) crystals under safe conditions. Sodium bromate is a compound that allows growing large single crystals from water solutions with a simple natural cooling procedure of a hot clear solution. Sufficient materials have been provided to make crystals large enough to use normal photography for a good impression.
 
Claire Scott
added an update
Read the latest blog post "CORE Family" by @COREITN @MSCActions ESR Ghufran ur Rehman based at the University of Manchester's School of Chemical and Analytical Science #H2020 #phdlife #ResearchImpactEU #crystals #crystallisation#crystallization #chirality https://coreitn.wordpress.com/2018/07/26/core-family/
 
Claire Scott
added an update
Read the latest blog post "Why not apply for a Marie Curie fellowship?" by @COREITN @MSCActions ESR Giulio Valenti based at @syncomBV #H2020 #phdlife #ResearchImpactEU #STEM http://ow.ly/j3pz30kBfsJ #crystals #crystallisation #crystallization #chirality
 
Claire Scott
added an update
Read the latest blog post "Conference report ~Symposium on Molecular chirality in Japan~" by CORE ITN MSCActions ESR Ryusei Oketani' #H2020 #phdlife #ResearchImpactEU #dissemination https://coreitn.wordpress.com/2018/05/29/conference-report-symposium-on-molecular-chirality-in-japan/
 
Claire Scott
added an update
Read the latest blog post "Behind the scenes of a Marie Curie PhD" by CORE ITN MSCActions ESR Francesca Cascella talking about her #MSCA experience #H2020 #phdlife #ResearchImpactEU https://coreitn.wordpress.com/2018/05/14/behind-the-scenes-of-a-marie-curie-phd/
 
Claire Scott
added an update
Read the latest blog post "Working Cross Borders" by CORE ITN MSCActions ESR Johannes Hoffmann talking about his #mobility experience in #MSCA #H2020 #phdlife #ResearchImpactEU https://wp.me/p8B95E-48
 
Claire Scott
added an update
CORE Innovative Training Network colleagues in ETH Zürich: Francesca Breveglieri, Giovanni Maggioni, and Marco Mazzotti have just had their paper accepted by Crystal Growth & Design -
 
Claire Scott
added an update
Read the latest blog post "A taste of #industry: interacting with the network’s #partners" by CORE ITN MSCA ESRs Carola Tortora and Jan-joris Devogelaer #H2020 #phdlife #ResearchImpactEU https://coreitn.wordpress.com/2017/12/12/244/
 
Gérard Coquerel
added a research item
The chiral symmetry breaking and deracemization of sodium chlorate was investigated when varying the agitation speed and cooling rate in cooling crystallization. At a low agitation speed, almost zero crystal enantiomeric excess occurred at the induction period. When increasing the agitation speed, the crystal enantiomeric excess at the induction period (called the ‘initial CEE’) increased due to the promotion of chiral symmetry breaking. The chiral symmetry breaking at the induction period (called the ‘initial chiral symmetry breaking’) also varied with the cooling rate. At a low cooling rate of 0.0738oC/min, the initial CEE reached up to about 90% and was rapidly reduced when increasing the cooling rate. The experiments also showed enhanced deracemization of the chiral crystals when increasing the initial CEE. Thus, complete deracemization was achieved when the initial CEE was over 60%. The influence of the agitation speed and cooling rate on the initial CEE originated from secondary nucleation depending on the supersaturation at the induction period (called the ‘induction supersaturation’). Using a nucleation rate equation, the initial CEE was found to correlate well with the induction supersaturation. Also, varying the final setting temperature and agitator confirmed that secondary nucleation was significantly involved in the chiral symmetry breaking at the induction period.
Claire Scott
added an update
MSCA COREITN summer school on #Crystallization, 3-6 July 2017 Radboud University Netherlands. This is an open event https://www.coreitn.eu/showNews.php?ID=36
sign up to our mailing list to stay informed http://bit.ly/2gSGgyw
 
J.H. Ter Horst
added an update
We are looking for PhD students: http://spider.science.strath.ac.uk/core/home.htm
 
J.H. Ter Horst
added a project goal
CORE is a Horizon2020 Marie Skłodowska-Curie Innovative Training Network on Continuous Resolution and Deracemization of Chiral Compounds by Crystallization to start on the 1st of October 2016. CORE brings together 8 academic and 7 industrial partners from 6 European countries resulting in an unparalleled combination of chirality, synthesis and crystallization training and research covering the areas of Chemical Engineering, Chemistry and Applied Physics.