ChemRxiv

ChemRxiv is the open preprint server for the global chemistry community. Contact us at [email protected] for assistance.

[ChemRxiv @ChemRxiv]

We're now on BlueSky! Come find us at https://t.co/kSXWWX2yv8

[Carbohydrate Group-University of Almeria @CarbohydrateUAL]

🚨 New Preprint Alert! 🧪

Fresh off the press on @ChemRxiv! Check out our latest work on phosphonated cyclodextrin derivatives as novel molecular receptors: https://t.co/Pvs4aMH6Vm

Full manuscript submitted soon! Feedback is welcome! 👇 #SupramolecularChemistry #NMR #Preprint

[David Cagan @cagan_da]

Introducing kSAR: Conjugation kinetics was leveraged to identify key scaffolds for med chem ! Here we show the power of blending phys org with synthetic chemistry for medicinal applications

[Kyle F. Biegasiewicz @KFBChem]

KFB Lab Alert: Our latest report using a vanadium chloroperoxidase to perform decarboxylative chlorination on cinnamic acids and acetylenic acids is now available @ChemRxiv! Congratulations to both @HJLChem and @KID_Chem for co-leading this work! https://t.co/KoaIcfbI0b

[Baran Lab @BaranLabReads]

A Kinetics-first Approach Reveals Optimum Vinylaminopyrimidines for Cysteine-Based Antibody Conjugation – an exciting collaboration with @scrippsresearch colleagues @Dawson_Group and the Blackmond group along with BMS – appearing now in @ChemRxiv : https://t.co/4f4UdZSkZ0

[Dongari Yadagiri @DgYadagiri]

Check out our recent work on “Carbyne Capturing”

[YD Group @YDGroup_IITR]

Check out our recent work deposited on @ChemRxiv: “On Carbyne Capturing: To Access Functionalized Heteroarenes.” Thanks to @serbonline and @CSIR_HRDG for funding. Congratulations to @abhishekp031299 and @Mohamma61784286
https://t.co/rxNrS3S3DN

[Olexandr Isayev 🇺🇦🇺🇸 @olexandr]

New @ChemRxiv preprint: AIMNet2(Score), a label-free way to score protein-ligand complexes. No experimental affinity data. Just QM-level physics from AIMNet2 MLIPs: interaction energy + ligand desolvation + conformational strain, on a single bound structure. #compchem🧵

[The Agou Group @MGEC_UoH]

ジベンゾアザボリンジカチオンの開拡性制御に関する論文を@ChemRxiv に掲載しました！M2守屋君が頑張りました。
https://t.co/5wZcIdvpDI

[Olexandr Isayev 🇺🇦🇺🇸 @olexandr]

In our new @ChemRxiv preprint, we introduce AIMNet2-CPCM: a neural network potential with continuum solvation that enables solvent- and charge-aware global-minimum searches across ~8K PDB ligands at screening scale.

[Olexandr Isayev 🇺🇦🇺🇸 @olexandr]

In structure-based drug design, ligand conformational strain helps answer a key question: is this bound pose chemically plausible? But the usual gas-phase shortcut can misestimate strain, especially for charged and highly polar ligands. #compchem

[Daniel Broere @BroereDaniel]

A passive hydride in ketone hydrosilylation!? Check out our pre-print, wherein Felix from @baikkaist and @BienenmannR uncover how our previously reported dicopperhydride catalyzes ketone hydrosilylation using MMC and step-wise MLC. Now on @ChemRxiv : https://t.co/74SVx3kIQY

[EZ-C Group @ezc_group]

Check out our latest in @ChemRxiv (https://t.co/T90r4QsVpR). We disclose the 1st example of dual mechano-Lewis base-photocatalysis via thermo-photo-kinetic analysis, how reaction rates are affected by the choice of LB, the use of LAG, & temperature. @StAndrewsChem @StAndrewsOsc

[⌬ Debabrat Goswami ⌬ @Debo_Goswami]

Take a look at our working paper on synthetic cell models that mimic enzyme activity! on @ChemRxiv

https://t.co/1khTqO9vWM

[Sakabe, M. @MSakabe51]

"Heptacoordinated Antimony(V) Cations" is now on @ChemRxiv https://t.co/rxICI8bz5p
これまで報告例のなかった7配位Sb(V)カチオンを2つ合成単離し、置換基によって異なる構造を取ることを明らかにしました。
なぜ置換基によって構造が変わるかを、理論化学計算から考察しました。
査読頑張ります。

[Dr. Harpal Saharan @Dr_Harpal_]

Exciting news! Our new preprint is live on @ChemRxiv! We’ve achieved solution-state magnetic bistability in cobalt corrole complexes using switchable sidearms.

Huge thanks to Prof. Sankar & Prof. Rajaraman!

📖 https://t.co/vHFzp50rFS

[Waser Group @LcsoLab]

"Strained ring preprint hat trick" at @LcsoLab with the last work of @CarloBalda97 with @IBMResearch @NCCR_Catalysis on the aminoarylation of cyclopropanes using complementary photo- and copper-catalyzed approaches now available at @ChemRxiv
https://t.co/yqawNWlPq3

[EZ-C Group @ezc_group]

Check out our latest in @ChemRxiv (https://t.co/HQ08nHvBCr), a collaborative effort between the @Dr_Escudero and @BOsmialowski groups that introduces an all-new motif for #mrtadf emitters. @StAndrewsChem @StAndrewsOsc

[Jones Research Group @Jones_Research]

Dat (@ng_tiendat) and Corinna's (@C_Czernetzki) joint study on ligand and metal specific outcomes of K reductions of flexible, extremely bulky NON-group 2 metal (inc. Be) complexes has appeared as a pre-print @ChemRxiv. https://t.co/WxfAVpe74L #ozchem @AFOSR @arc_gov_au

[Carter Brzezinski @sp3intermediate]

Check out our recent work on a systemic analysis of N-heterocycle halogenation with our favorite chloroperoxidase! Big thanks to Sergio, Hannah, and @jbacsa1 for the help!

Got a tricky halogenation with poor selectivity or yield? Please let us know, we’d love to give it a try!

[Kyle F. Biegasiewicz @KFBChem]

KFB Lab Alert: One Biocatalyst, LOTS of N-Heterocycle Halogenations! Our latest work on the development of an efficient screening workflow for VHPO halogenation is now online @ChemRxiv. Huge congratulations to @sp3intermediate for leading this work with an awesome team of Sergio, @HannahSlocumb5, and @jbacsa1! #Haloplates
https://t.co/kb6V7CSpNZ