Newcastle Chemical Crystallography Service
@newcrystle.bsky.social
Providing crystal structure data and analysis at Newcastle University.
Updates | Publications | Musings
Updates | Publications | Musings
Check out our latest collab with @indicatrix.bsky.social and Sultan Qaboos University. Three crystal structures and a lot of weak hydrogen bonds: journals.iucr.org/c/issues/202...
Weak hydrogen bonding in the structures of three double-acylated aminoantipyrines
The structures of three doubly-acylated 4-aminoantipyrine compounds where the aryl substituent is varied are reported and analysed in terms of their relative conformation, intermolecular interac...
journals.iucr.org
November 11, 2025 at 10:33 AM
Check out our latest collab with @indicatrix.bsky.social and Sultan Qaboos University. Three crystal structures and a lot of weak hydrogen bonds: journals.iucr.org/c/issues/202...
Reposted by Newcastle Chemical Crystallography Service
Mardiana et al.: Weak hydrogen bonding in the structures of three double-acylated aminoantipyrines ##CrystalStructure##Arylation##CrystalPacking... ##IUCrhttps://journals.iucr.org/paper?S2053229625009581
Weak hydrogen bonding in the structures of three double-acylated aminoantipyrines
The structures of three doubly-acylated 4-aminoantipyrine compounds where the aryl substituent is varied are reported and analysed in terms of their relative conformation, intermolecular interactions and overall packing. The compounds were crystallized using the encapsulated nanodroplet crystallization (ENaCt) protocol.
journals.iucr.org
November 11, 2025 at 1:00 AM
Mardiana et al.: Weak hydrogen bonding in the structures of three double-acylated aminoantipyrines ##CrystalStructure##Arylation##CrystalPacking... ##IUCrhttps://journals.iucr.org/paper?S2053229625009581
November 8, 2025 at 3:56 PM
Reposted by Newcastle Chemical Crystallography Service
Excited to have proofs in hand of our crystallography children‘s book! Illustrated by an amazing undergrad Justine Wong!
More info coming soon…
#chemsky
More info coming soon…
#chemsky
October 22, 2025 at 10:33 PM
Excited to have proofs in hand of our crystallography children‘s book! Illustrated by an amazing undergrad Justine Wong!
More info coming soon…
#chemsky
More info coming soon…
#chemsky
Very happy to have contributed to this study from Roly Armstrong's group on N–N atropisomeric amides in @chemcomm.rsc.org: pubs.rsc.org/en/Content/A...
@chemistryncl.bsky.social #chemsky
@chemistryncl.bsky.social #chemsky
A multicomponent approach for the stereoselective synthesis of atropisomeric N–N peptide analogues
Peptide analogues featuring both central and N–N axial chirality were efficiently synthesised using a 4-component Ugi reaction. This method demonstrates a broad substrate scope, affording the target c...
pubs.rsc.org
October 16, 2025 at 10:10 AM
Very happy to have contributed to this study from Roly Armstrong's group on N–N atropisomeric amides in @chemcomm.rsc.org: pubs.rsc.org/en/Content/A...
@chemistryncl.bsky.social #chemsky
@chemistryncl.bsky.social #chemsky
October 11, 2025 at 4:48 PM
Reposted by Newcastle Chemical Crystallography Service
Roy et al.: Crystallographic and physicochemical characterization of salcaprozoic acid: a structural basis for SNAC-enabled drug delivery systems ##SalcaprozoicAcid##SalcaprozateSodium##SNAC... ##IUCrhttps://journals.iucr.org/paper?S2053229625008691
Crystallographic and physicochemical characterization of salcaprozoic acid: a structural basis for SNAC-enabled drug delivery systems
This study presents the first comprehensive crystallographic characterization of salcaprozoic acid (HNAC), the free acid form of salcaprozate sodium (SNAC), using single-crystal X-ray diffraction. A well-organized hydrogen-bonding framework underpins the robust crystal packing and thermal stability of the compound. Complementary IR spectroscopy highlighted the impact of hydrogen bonding on vibrational modes.
journals.iucr.org
October 7, 2025 at 12:00 AM
Roy et al.: Crystallographic and physicochemical characterization of salcaprozoic acid: a structural basis for SNAC-enabled drug delivery systems ##SalcaprozoicAcid##SalcaprozateSodium##SNAC... ##IUCrhttps://journals.iucr.org/paper?S2053229625008691
It's been a while but the publications are flowing again! Check our report on the structure of salcaprozoic acid in @actacrystc.iucr.org in collaboration with Oisín Kavanagh at @nclpharmacy.bsky.social: journals.iucr.org/c/issues/202...
Crystallographic and physicochemical characterization of salcaprozoic acid: a structural basis for SNAC-enabled drug delivery systems
This study presents the first comprehensive crystallographic characterization of salcaprozoic acid (HNAC), the free acid form of salcaprozate sodium (SNAC), using single-crystal X-ray diffraction. A ...
journals.iucr.org
October 6, 2025 at 3:22 PM
It's been a while but the publications are flowing again! Check our report on the structure of salcaprozoic acid in @actacrystc.iucr.org in collaboration with Oisín Kavanagh at @nclpharmacy.bsky.social: journals.iucr.org/c/issues/202...
Once more with feeling: 🎵 There's Sb, As, Al, Se...🎵
We're saddened to hear that the musical satirist Tom Lehrer passed away this weekend. His original and witty songs were loved by audiences worldwide, but to chemists he'll always be remembered for this classic: www.youtube.com/watch?v=AcS3...
Tom Lehrer - The Elements - LIVE FILM From Copenhagen in 1967
YouTube video by The Tom Lehrer Wisdom Channel
www.youtube.com
July 28, 2025 at 1:46 PM
Once more with feeling: 🎵 There's Sb, As, Al, Se...🎵
Reposted by Newcastle Chemical Crystallography Service
I'm happy to have worked with Johannes Voigt to tell this story about a structure with Z' > 1 that exhibits approximate symmetry and combines features of two previously published polymorphs. Pretty much everything I'm about!
Check it out in Crystals: www.mdpi.com/2073-4352/15...
Check it out in Crystals: www.mdpi.com/2073-4352/15...
July 18, 2025 at 10:22 AM
I'm happy to have worked with Johannes Voigt to tell this story about a structure with Z' > 1 that exhibits approximate symmetry and combines features of two previously published polymorphs. Pretty much everything I'm about!
Check it out in Crystals: www.mdpi.com/2073-4352/15...
Check it out in Crystals: www.mdpi.com/2073-4352/15...
Always great to work on these weird and wonderful (and unstable!) structures with Keith Izod and his group. Check them out here: chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...
chemistry-europe.onlinelibrary.wiley.com
July 14, 2025 at 9:41 AM
Always great to work on these weird and wonderful (and unstable!) structures with Keith Izod and his group. Check them out here: chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...
I’m told there is about 15 years of work in this article from Jason Gill, which includes a structure from the Service. Check it out! @nclpharmacy.bsky.social
www.tandfonline.com/doi/full/10....
www.tandfonline.com/doi/full/10....
Development of novel benzamide class I selective lysine deacetylase inhibitors as potent anticancer agents
Small molecule inhibitors of lysine deacetylases (KDACs), exemplified by histone deacetylases (HDACs), exhibit significant promise as cancer therapeutics. Using a modular combinatorial chemistry ap...
www.tandfonline.com
July 5, 2025 at 4:43 PM
I’m told there is about 15 years of work in this article from Jason Gill, which includes a structure from the Service. Check it out! @nclpharmacy.bsky.social
www.tandfonline.com/doi/full/10....
www.tandfonline.com/doi/full/10....
A great article from Simon Doherty’s group on the application of quaternary ammonium cations in anion-exchange membranes including seven structure determined by the Service: pubs.acs.org/doi/full/10....
#chemsky
#chemsky
Structure–Stability Correlations on Quaternary Ammonium Cations as Model Monomers for Anion-Exchange Membranes and Ionomers
Understanding the alkaline stability of quaternary ammonium (QA) cations tethered to polymer backbones in anion-exchange membranes (AEMs) is crucial to advance the long-term performance of anion-excha...
pubs.acs.org
July 3, 2025 at 12:47 AM
A great article from Simon Doherty’s group on the application of quaternary ammonium cations in anion-exchange membranes including seven structure determined by the Service: pubs.acs.org/doi/full/10....
#chemsky
#chemsky
June 29, 2025 at 2:47 PM
More great work from Roly Armstrong and Erli Lu (formally of this Parish) with two structures from the Service including a crazy cubic cluster: pubs.rsc.org/en/content/a...
C[double bond, length as m-dash]O methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects - Chemical Science (RSC Publishing) DOI:10.1039/D5SC02313K
pubs.rsc.org
June 28, 2025 at 12:03 AM
More great work from Roly Armstrong and Erli Lu (formally of this Parish) with two structures from the Service including a crazy cubic cluster: pubs.rsc.org/en/content/a...
Great to see this collaboration, including two fascinating structures from our service, in print in @chemicalscience.rsc.org. Take a look: pubs.rsc.org/en/content/a...
CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects
C [[double bond, length as m-dash]] O methylenation mediated by α-silyl organo-alkali metal reagents, namely Peterson methylenation, is a textbook organic reaction that has been widely employed in syn...
pubs.rsc.org
May 27, 2025 at 8:40 AM
Great to see this collaboration, including two fascinating structures from our service, in print in @chemicalscience.rsc.org. Take a look: pubs.rsc.org/en/content/a...
Shut up and take my money!
Heinrich Baumhauer’s 3D periodic table from 1870 may soon come to life as a Lego playset, if a Spanish scientist's 'Periodic Tower of Elements' bid comes to fruition. #ChemSky
Campaign launched to get Lego periodic table playset out there
Spanish scientist wants people to vote for his spiral table to get Lego to bring it to life
www.chemistryworld.com
May 23, 2025 at 10:44 AM
Shut up and take my money!
More from our colleagues at Indicatrix.
New HTP #cocrystals out now via @chemicalscience.rsc.org, >50 SCXRD structures. Amazing work by Jess Metherall, Mike Hall and Mike Probert as well as @astrazeneca.bsky.social
doi.org/10.1039/D4SC...
#chemistry #drugdiscovery #scxrd #pharma
doi.org/10.1039/D4SC...
#chemistry #drugdiscovery #scxrd #pharma
High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery
Co-crystals are composed of two or more chemically inequivalent molecular species, excluding solvents, generally in a stoichiometric ratio. Co-crystals are particularly important in pharmaceutical dev...
doi.org
May 9, 2025 at 9:05 AM
More from our colleagues at Indicatrix.
Very happy to have contributed to this work in @medchemres.bsky.social by Jon Sellars at @nclpharmacy.bsky.social developing new compounds that act against drug-resistant tuberculosis: link.springer.com/article/10.1...
Benzoxa-[2,1,3]-diazole substituted amino acid hydrazides as therapeutics for drug-resistant Mycobacterium tuberculosis - Medicinal Chemistry Research
The global burden of tuberculosis is on the rise and continues to be alarmingly high, with a notable prevalence of multidrug-resistant disease. Despite a promising drug development pipeline, the level...
link.springer.com
May 8, 2025 at 8:06 AM
Very happy to have contributed to this work in @medchemres.bsky.social by Jon Sellars at @nclpharmacy.bsky.social developing new compounds that act against drug-resistant tuberculosis: link.springer.com/article/10.1...
No way! Me too!
May 7, 2025 at 8:29 AM
No way! Me too!
Reposted by Newcastle Chemical Crystallography Service
Well done to 1st year PhD student Giovanna, for being awarded the IUCr Best Poster award at #BCA25 meeting at Leeds. With Prof MR Probert and Newcastle Chemistry
May 1, 2025 at 9:57 AM
Well done to 1st year PhD student Giovanna, for being awarded the IUCr Best Poster award at #BCA25 meeting at Leeds. With Prof MR Probert and Newcastle Chemistry
Reposted by Newcastle Chemical Crystallography Service
As Senior Tutors, @hopkinsonlab.bsky.social and I have been developing a new educational game, CHEMmunicate, that builds communication skills and encourages social interactions. Check it out in J Chem Ed @pubs.acs.org
pubs.acs.org/doi/full/10....
@chemistryncl.bsky.social @newcastleuni.bsky.social
pubs.acs.org/doi/full/10....
@chemistryncl.bsky.social @newcastleuni.bsky.social
CHEMmunicate: A Chemical Structure Drawing Game for Building Scientific Communication Skills and Enhancing Social Interactions among First Year Undergraduate Students
Students’ overall experience of university life and their assessment outcomes are partly determined by their engagement with teaching activities, which is in turn influenced by their sense of social cohesion with their peers. In addition to providing pastoral support, in our role as Senior Tutors, we encourage the formation of a more cohesive learning community among chemistry students post-COVID. With the aim of building better connections both between us and the new student cohort and between the students themselves, we have introduced new Senior Tutor Check-In sessions, which are built around a new chemical drawing game: CHEMmunicate. Across the first semester, we held 8 sessions with ca. 12–16 new first year chemistry undergraduate students in which two teams competed to draw chemical structures using yes/no questions (total: 200 participants over two separate cohorts). In this paper, we outline the rules of the game and provide tips for session leaders seeking to implement it at other institutions. Moreover, through analysis of student feedback from questionnaires and a focus group, we demonstrate how CHEMmunicate and the Senior Tutor Check-In sessions can prove beneficial in building student cohesion and enhancing students’ learning of organic chemistry.
pubs.acs.org
April 25, 2025 at 12:55 PM
As Senior Tutors, @hopkinsonlab.bsky.social and I have been developing a new educational game, CHEMmunicate, that builds communication skills and encourages social interactions. Check it out in J Chem Ed @pubs.acs.org
pubs.acs.org/doi/full/10....
@chemistryncl.bsky.social @newcastleuni.bsky.social
pubs.acs.org/doi/full/10....
@chemistryncl.bsky.social @newcastleuni.bsky.social
Don’t be fooled by my face, this was genuinely so much fun! #bca2025 #crystallography #scienceoutreach
Thank you to everyone who attended our outreach workshop this afternoon jointly hosted with the CCG and @ccdc.cam.ac.uk So much enthusiasm and ideas in one room! It was a lot of fun to brainstorm and share experiences 😊👩🏫🧠
April 17, 2025 at 2:22 PM
Don’t be fooled by my face, this was genuinely so much fun! #bca2025 #crystallography #scienceoutreach