iiinova — where your digital self keeps evolving

Mathias Christmann @christmann.bsky.social · 01/09/2026

Interested in a collaboration? Contact me #OpenScience #ChemSky (5/5)

Mathias Christmann @christmann.bsky.social · 01/09/2026

The resolver also flags a significant number of cases where different compound identifiers are associated with identical compound names or #NMR passages, both in #preprints and in published material from multiple publishers #DataQuality (4/5)

120

Mathias Christmann @christmann.bsky.social · 01/09/2026

A molecule can be described with different names. The tool links structures thus making it easier to connect #ChemicalData across your document collection. (3/5)

110

Mathias Christmann @christmann.bsky.social · 01/09/2026

For example, a folder of 38 most recent @chemrxiv.org PDFs covering synthetic #chemistry (~500 MB) yields 1,453 structures, locally resolved on my laptop in under 30 seconds #ResearchSoftware (2/5)

110

Mathias Christmann @christmann.bsky.social · 01/09/2026

An inspiring conference in St. Anton sparked a project: turning chemistry PDFs into a searchable, local knowledge base. The prototype extracts chemical names, resolves them to structures and links the results to their sources #Cheminformatics #ChemPython (1/5)

1121

Mathias Christmann @christmann.bsky.social · 10/04/2026

How could I have missed Angine de Poitrine for so long. Glad to see them coming to Berlin in October. youtu.be/Te1HkBx7rDw?...

youtu.be

Angine de Poitrine - Mata Zyklek (Live on KEXP)

YouTube video by KEXP

120

Mathias Christmann @christmann.bsky.social · 19/02/2026

Congrats Christian! Well deserved.

000

Reposted by Mathias Christmann

Synthesis Journal @synthesis1969.bsky.social · 05/12/2025

Seven new P(V)-stereogenic #organocatalysts synthesized! 🔬 Mathias Christmann ( @christmann.bsky.social ) & co-workers explore #squaramide & #thiourea linkers in asymmetric transfer hydrogenation & Mukaiyama–Mannich reactions — showing promising first results✨ #phosphorus 👉 buff.ly/zSmzJqJ

022

Mathias Christmann @christmann.bsky.social · 29/11/2025

The "Ether Rim" 🔥 is an absolute staple of experimental lectures in Organic Chemistry and one of my favorites. Never gets old! 🧪 #ChemSky #RealTimeChem

2130

Reposted by Mathias Christmann

Paula Rossi @elementalmusings.bsky.social · 21/09/2025

Try to imagine chemistry without JJ Berzelius, who, after thousands of experiments, published the first precise list of atomic weights (1818). Yet Berzelius might have remained a mere physician had he never met Anders Ekeberg. Teachers can influence the course of history. 🧪 #chemsky #chemistry

cen.acs.org

8 chemists with disabilities who left their mark on history

Scientists with disabilities ascended to the forefronts of their fields long before labs were accessible and civil rights were codified

14111

Mathias Christmann @christmann.bsky.social · 15/09/2025

Don’t miss Timothy Noël @tnoel82.bsky.social (University of Amsterdam) giving an online @gdch.de lecture organized by the Liebig-Vereinigung. #ChemSky Details and registration: gdch.app/event/from-b...

0103

Mathias Christmann @christmann.bsky.social · 08/09/2025

Beautiful blood moon over Berlin, captured from Drachenberg last night. #BloodMoon #Eclipse #NightSky #Berlin

0192

Mathias Christmann @christmann.bsky.social · 25/08/2025

Our collaboration with @riedellab.bsky.social @fubcp.bsky.social on photomediated C–H trifluoromethoxylation with bis(trifluoromethyl)peroxide has been published in @chemicalscience.rsc.org pubs.rsc.org/en/content/a... #OpenScience #FluorineChemistry #RadicalChemistry #ChemSky

0103

Mathias Christmann @christmann.bsky.social · 19/08/2025

Kids have a special eye for spotting the little things we often overlook. Challenge them to ‘find something cool’ and you will be amazed at what they discover.

040

Reposted by Mathias Christmann

Chemistry World @chemistryworld.com · 26/06/2025

New research shows that simply changing how a reaction vessel is positioned on a magnetic stirrer can significantly change a reaction's speed and product quality, influencing the reproducibility of results. #ChemSky #ScienceSky #EduSky

chemistryworld.com

Position of flask on magnetic stirrers can drastically affect reproducibility of experiments

Comprehensive examination reveals improper siting of reaction vessels can affect catalyst formation, alter nanoparticle formation and change yields

32612

Mathias Christmann @christmann.bsky.social · 17/06/2025

Today, part of the team of the Institute of Chemistry and Biochemistry @fubcp.bsky.social enjoyed great food 🍽️ and discussions at Luise Dahlem before heading together to the university elections at FU Berlin. Thanks to everyone who joined for the wonderful gathering! #ChemSky #BiochemSky #CampusLife

0231

Mathias Christmann @christmann.bsky.social · 30/05/2025

Catch mass (m) & substance amount (n) errors in PDFs! This tool comes handy, but expect false positives for now. Link: huggingface.co/spaces/Match... Explore more #OpenChemTools: Accurate Mass: huggingface.co/spaces/Match... SI Check: huggingface.co/spaces/Match... #ChemPython #ChemSky

062

Reposted by Mathias Christmann

Philippe Schwaller @pschwllr.bsky.social · 14/05/2025

We demonstrate granular and steerable synthesizability control in molecular generation, allowing to specify reaction and building block constraints while optimizing for molecules with desired properties. Super proud of Jeff Guo and Víctor Sabanza Gil leading this exciting study! #chemsky

1224

Mathias Christmann @christmann.bsky.social · 12/05/2025

In a world full of AI hype, Dr. Waku (@drwaku.bsky.social) is a calm, clear, and deeply thoughtful voice. Watch ‘On a knife’s edge’ for one of the most grounded takes on why AI might change everything. youtu.be/nTFMPWyN7gU

youtu.be

On a knife’s edge: why AI will change everything

YouTube video by Dr Waku

141

Reposted by Mathias Christmann

TeichertLab @TUC @teichertlab.bsky.social · 10/04/2025

Are you interested in a PhD combining asymmetric transition metal catalysis and data-driven analysis? We have two PhD positions as part of the EU network CATALOOP (cataloop.eu) that are open to apply: euraxess.ec.europa.eu/jobs/334833 euraxess.ec.europa.eu/jobs/334837 #ChemSky

093

Reposted by Mathias Christmann

FU Berlin Dept. Biology, Chemistry, Pharmacy @fubcp.bsky.social · 01/04/2025

Hi Bluesky! We’re the Department of Biology, Chemistry, and Pharmacy at Freie Universität Berlin. Follow us for a look into research, teaching, and life at our institutes—plus news and events. Welcome to all students, researchers, employees – and every other curious species out there! 🦠🪲🍃🧪🧬

Upper glass front of the Biology, Chemistry, Pharmacy Building at Arnimallee 22 in Berlin with blue sky above reflecting in its windows. Some branches of a tree with golden leaves hanging from above

1154

Mathias Christmann @christmann.bsky.social · 04/04/2025

Gemini 2.5 Pro's reasoning on domain-specific topics is amazing (and a bit scary, too). Tested it with today’s Chemdl #182 (reaction scheme). The logical steps to the correct answer were spot on. Wow. #AI #ChemSky #LLM

120

Mathias Christmann @christmann.bsky.social · 31/03/2025

Impressed by Gemini 2.5 Pro to create lecture material: "Can you write a python script that generates a ball and stick model of a rotating water molecule that also show the two planes of symmetry and the c2 axis in a semitransparent Fashion“ #AI #GeminiAI #ChemPython #ChemSky #SciVis @GoogleAI

1120

Mathias Christmann @christmann.bsky.social · 29/03/2025

A fantastic day celebrating my PhD advisor’s retirement with friends and the academic family. So many great memories! #ChemSky

030

Mathias Christmann @christmann.bsky.social · 24/03/2025

Great to have Prof. Xiaoguang Lei of Peking University at FU Berlin for his talk, “Opportunities for Merging Chemical and Biological Synthesis”! #ChemicalBiology #Synthesis #ChemBioSky

050

Mathias Christmann @christmann.bsky.social · 24/03/2025

Need to proofread a thesis or lengthy SI? 📄✨ Just drop your PDF into the SI-Check demo on Hugging Face! 👉 huggingface.co/spaces/Match... DM with feedback or suggestions and help making the tool better! #Proofreading #AcademicWriting #HuggingFace #OpenScience #ChemSky

090

Reposted by Mathias Christmann

FACCTs @faccts.de · 07/03/2025

We are delighted to support Benjamin Pölloth's Comp-Chem-Lab project, which uses ORCA to introduce high school students to quantum chemistry. Check out the article and the website of the project: doi.org/10.1021/acs.... www.comp-chem-lab.de/en #ORCAqc #ChemicalEducation #CompChemSky #ChemSky

doi.org

High School Students Experimenting with Computational Chemistry: Design-Based Research on and through the “Comp-Chem-Lab”

Despite the profound impact of Computational Chemistry (CC) on chemical research and understanding, it plays a negligible role in high school chemistry curricula. Integrating CC into high school educa...

0186

Mathias Christmann @christmann.bsky.social · 06/03/2025

Thanks, I found one that we made in the list. Now, I have to find it in the picture 🔍

120

Mathias Christmann @christmann.bsky.social · 06/03/2025

Looks great! Do you have a list of names?

110

Mathias Christmann @christmann.bsky.social · 03/03/2025

I was surprised by the positive response to our Org. Lett. on analyzing mass data from 3000+ SI files: 🔗 pubs.acs.org/doi/full/10.... For those who’d rather not install Python, you can now check PDFs using a simple #Streamlit app, hosted on Hugging Face: ⚡ huggingface.co/spaces/Match... #ChemSky

0357

Mathias Christmann @christmann.bsky.social · 27/02/2025

Great job, Alessandro! Awesome PhD work @molloylab.bsky.social. Good luck for your future endeavors! #ChemSky

010

Mathias Christmann @christmann.bsky.social · 22/02/2025

Thanks to everyone on #ChemSky who shared suggestions via DM or in the comments on expanding 🧪 SI checking. It’s evolving, thanks to #vibecoding #ChemPython

090

Mathias Christmann @christmann.bsky.social · 21/02/2025

Hi Christophe, I tried to paste an older post. Hope it works

010

Mathias Christmann @christmann.bsky.social · 09/02/2025

Of course, you can search for the expressions (as I did for a small test set), but without reviewing the context, it is difficult to make a definitive decision. Maybe a neutral alert is appropriate.

000

Mathias Christmann @christmann.bsky.social · 09/02/2025

Lab report grading got you down? 😩 We're building an automated feedback tool! Share your common lab report errors that drive you nuts as regular expression (regex) in combination with a comment line. Example: r'\b\d+(?:.\d+)?\s+ml\b' catches "ml" vs "mL". #ChemEd #LabLife #LLM #ChemSky #ChemPython

270

Mathias Christmann @christmann.bsky.social · 27/01/2025

Love this one! I use it in lectures to lighten up dry topics like stereochemistry. Just realized, though, that as my audience gets younger relative to myself, some of the cultural references lose their grip over the years. #Teaching #GenZ

010

Mathias Christmann @christmann.bsky.social · 26/01/2025

LLM-assisted tool generation is awesome. To extend the HRMS checker (doi.org/10.1021/acs....) to automated experimental checking, a peptide sequence parser function (ca. 200 lines of code) was generated in under 2 hours. #ChemSky

0101

Mathias Christmann @christmann.bsky.social · 23/01/2025

Fantastic talk, ‘Organic Chemistry to Shine Light on Biology,’ by Johannes Broichhagen (@broichhagenj.bsky.social) from the Forschungsinstitut für Molekulare Pharmakologie (FMP) in Berlin. For a comprehensive overview of his work, check out: doi.org/10.1002/anie... #ChemSky #ChemBioSky

0100

Mathias Christmann @christmann.bsky.social · 22/01/2025

Intriguing yet strange to watch a large language model deconstruct the steps to provide the simple answer ‘No.’ A brilliant comparison by @emollick.bsky.social to Marvin, the paranoid android from The Hitchhiker’s Guide to the Galaxy. #ChemSky

010

Reposted by Mathias Christmann

Matt Saucier @mattsaucier.bsky.social · 13/01/2025

This #OrgLett cover by Guillermo Correa Otero demonstrates human error in mass spec report checking. Instead use CheckAMM! Editorial by EIC Marisa Kozlowski introducing CheckAMM: pubs.acs.org/doi/10.1021/... What @christmann.bsky.social found checking AMM reports: pubs.acs.org/doi/10.1021/...

012

Reposted by Mathias Christmann

Scott Bagley @bagphos.bsky.social · 12/01/2025

#ChemSky Having a blast playing Chemdle everyday but I need to resist trying before 6am (and before coffee kicks in)

chemdle.com

Chemdle

Curated daily chemistry problems. Six attempts to solve the questions, on topics from named reactions to total synthesis.

0113

Mathias Christmann @christmann.bsky.social · 09/01/2025

Thx! This exercise focused on 3 aspects: 1. Identifying the longest chain, even when a shorter chain w/ multiple bonds is present 2. Ignoring multipliers (di-, tri-, tetra-) when alphabetizing substituents 3. Assigning configurations, especially with vinyl vs. quaternary carbon substituents

110

Mathias Christmann @christmann.bsky.social · 08/01/2025

I think both names are okay. Here is what Perplexity finds:

000

Mathias Christmann @christmann.bsky.social · 08/01/2025

Great! Just one small thing: if you used ‘vinyl’ instead of ‘ethenyl,’ the order of substituents would be correct. However, if you use ‘ethenyl,’ the alphabetical order should be (R)-7-ethenyl-3-ethyl-6,6-dimethyldodecane. I’d prefer vinyl over ethenyl for clarity.

100

Mathias Christmann @christmann.bsky.social · 07/01/2025

Here’s a great exercise question combining multiple concepts for the IUPAC nomenclature section of an introductory organic chemistry course! #ChemSky

271