Nicolas

Picture taken at the ocean bottom near Mar del Plata, Argentina, of several species, a kind of crab, an orange starfish and other animals which I can't describe properly

These are some highlights of the expedition. Found the picture in the social network formerly known as twitter.

Lance 39.1 Mar Del Plata Canyon | SOI Divestream 818 PART 2 YouTube video by Schmidt Ocean

There is currently a live stream of a robot exploring and taking samples at the bottom of the ocean near Mar del Plata, Argentina. Around 50k people are watching! #science

www.youtube.com/live/Fa-iwwx...

While I have everyone's attention, the genocide happening in Palestine -- in Gaza AND the West Bank -- is a crime against humanity.

Please raise your voice in defense of Palestinian lives. They are depending on us to remind those with power that they have a right to live.

Thank you! Very nice of you to say that!

Very nice! I saw the graph before seeing who posted it, congratulations! Send my regards to Rafael and Rosana

Cover on Angewandte Chemie showing a molecule composed of a mesoionic imine and a carbodiimide fragment, featuring an N(I) center. The atoms in the molecule are displayed in a shiny metallic style, and the background shows lightning and stars over a lake with mountains, before a red and blue illuminated sky, in a cartoonish style.

At last, the cover of our work in Angewandte Chemie was published! Very proud and happy of being able to collaborate with awesome chemists (Alok Mahata, R. Rudolf, R. Walter and Prof. Biprajit Sarkar) in super interesting projects!
#chemsky #academicchatter

onlinelibrary.wiley.com/doi/abs/10.1...

Postdoc results for the 2024 (actually 2025) CONICET call just announced. The candidate I proposed didn't make the cut (although recommended by the committee). Only 22 PDs in chemistry for the whole country we're awarded. It's hard to keep going without new people joining the labs. A lost generation

For most researchers in Argentina it would be a huge burden. Most PIs would pay out of their own pockets is my guess.

Selfie of me in front of a backyard garden with vines, with no leaves or grapes as it is winter. In the background some mountains can be seen. Cafayate, Salta, Argentina.

Balcony view from a holiday house showing a house under construction on the opposite side of the street. The background shows mountains and a blue sky. Cafayate, Salta, Argentina

Took a well deserved holiday with the family. Beautiful vineyards in the mountains, in the Province of Salta, Argentina. Also the Blue Sky!

Our article (Alok Mahata, Richard Rudolf, Robert Walter, myself and Prof. Biprajit Sarkar) will be Front Cover in Angewandte!! Super happy and very eager to show the Cover when it is available as Early View!!
I'm so grateful for many wonderful collaborations with Prof. Sarkar and his group! #chemsky

Plot of simulated epr spectrum with a large number of hyperfine lines, in a very symmetric pattern. The simulation is very close to the experimental spectrum. It corresponds to an organic Thiele-like radical

I did not have the pleasure of acquiring this beautiful EPR spectrum, but I did have fun fitting it! @esr-group.bsky.social #epr #chemsky

The measurements were quite good for the first tests. The peptide binds Ca2+, and we removed it with EDTA, which allows us not only to titrate de Ca2+, but also we have a hint about which amino acids bind it. Of course now I need to read a lot about protein NMR.

Today we are measuring NMR of a peptide. First time in my life. Recently I measured 19F NMR of PFOA degradation, and I'm trying to convince people to measure 31P of RNA. Economic crises really forces us to innovate.

I'm so impressed by this paper! Just beautiful!
#corroles #chemsky

Reduced Cobalt Corroles: Isolation, Reactivity, and Electronic Structure | ChemRxiv - doi.org/10.26434/che...

Screen capture of YouTube statistics of my channel @niconeuman showing 2500 subscribers

We have to celebrate every small milestone! 2500 subscribers is much more than I initially expected to reach!

#youtube #science #openscience #chemistry #compchem #tutorial

Why is it sunny during the week and the weekend is rainy and cold? We spent the whole day inside, I'm tired.

Crystals of a corrole under magnifying glass. The solution looks light pink, possibly due to fluorescence, and the crystals are dark purple, needle like

These are #crystals of another free base #corrole (different from the one I posted before). Now two different compounds are traveling to the crystallographer! Awesome work by UG student Gianella. #chemsky #chemistry #science

As always, the awesomeness comes from the excellent synthetic, characterization and reactivity work of Alok Mahata. My contributions were mechanistic and electronic structure calculations to elucidate some of the properties of these nitreone systems.

Exploring Mesoionic Imine‐Carbodiimde (MII‐CDI) Adducts: 1,3 H‐Shift, N(I) Compounds and Guanidinate‐Type Ligands In this study, we report our recent findings on the synthesis and reactivity of a novel 1,2,3-triazolin-5-imine type mesoionic imine-carbodiimide (MII-CDI) adduct. Unlike reported NHC-CDI adducts, fo....

Check out our new article! Another awesome collaboration with the Sarkar group #chemsky #academicchatter #compchem
Exploring Mesoionic Imine‐Carbodiimide (MII‐CDI) Adducts: 1,3 H‐Shift, N(I) Compounds and Guanidinate‐Type Ligands onlinelibrary.wiley.com/doi/10.1002/...

RNA as a replacement for chemical pesticides Argentinian start-up Apolo Biotech is teaching plants to fight infections

With the aim of replacing chemical pesticides with a more environmentally benign alternative. Argentinian startup Apolo biotech is introducing small, stabilised RNA molecules into plants that can be incorporated into their immune response to block infections.

Here is the Zoom Link for the ORCA 6.1 Release Event - please share widely!

Hope to see many of you there!

Photos of small corrole crystals seen through magnifying glass. The solutions is purple and the crystals are very dark purple.

So happy about these unmetallated #corrole crystals. About to send them to my crystallographer friend! #realtimechem #chemsky

This is inverse hypercorrole behaviour, as described by Ghosh and colleagues in several publications. We conducted DFT and CASSCF calculations on the different species and showed that the active space needs to be expanded with the aryl orbitals to correctly describe these transitions.

In this work we prepared anionic copper corroles by reduction and free base corroles by deprotonation. We observed red-shifted intense Q-bands in the nitro-susbstituted analogy, corresponding to corrole to aryl charge transfer bands.

The ORCA 6.1 Release is approaching fast!
Save the date for June 17th, 12:00 CEST.

We will discuss many subjects at the event - here is another preview: improved Multiscale functionality in ORCA 6.1

#orca #FACCTs #compchem

I got together with some friends yesterday. We were discussing stuff and they would search Google and read what the AI wrote as an answer. I found it so depressing, they are 40 years old and losing the ability to distinguish facts from fantasy. Younger generations have no chance

Neutral and Anionic Free-base and Copper Corroles: Structural, spectroscopic and computational analysis and hypercorrole features We report the synthesis, crystal structure, spectroscopic and computational electronic structural characterization of two copper corroles, [Cu(5,15-bis(4-methylcarboxyphenyl)-10-(2-methylcarboxyphenyl...

New work in anionic #corroles with a healthy dose of #casscf calculations. Thx
@orca-qc-official.bsky.social #chemsky
Neutral and Anionic Free-base and Copper Corroles: Structural, spectroscopic and computational analysis and hypercorrole features | ChemRxiv - doi.org/10.26434/che...

I have spent most of May writing an application for a prof position, finishing a couple of papers, two UG thesis projects, teaching and writing other applications. I really miss programming and recording videos. I want to finish the automated force field parameterization program.

The Argentinian government is defunding the most important pediatric hospital in Argentina and much of Latin America, the Garrahan. Residents earn around 600-800 USD. The govt accuses them of being "Gnocchi" (people who don't go to work just when they get paid)

Mail extract to be part of scientific committee in conference. Benefits: certificate as scientific panel member, direct publication without peer review in Q3 journal, and 80 % discount s speaker

Wow my dream is to publish in a Q3 journal without peer review! What an irresistible offer! #chemsky #academicchatter