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Robert Pollice

@robpollice.mstdn.science.ap.brid.gy
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Weekly #RobSelects Assistant Professor for Computer-Aided Organic Synthesis at the Stratingh Institute for Chemistry, University of Groningen (he/him/his) [bridged from mstdn.science/@robpollice on the fediverse by fed.brid.gy ]

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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 28/09/2026
#RobSelects paper of the week #J_A_C_S: 4-Dimethylaminopyridine-trapped hydroxycarbenes as nucleophiles reacting with aldehydes to form cross-benzoin products. #orgchem doi.org/10.1021/jacs.6c14714
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 28/09/2026
#RobSelects preprint of the week #ChemRxiv: Mimicking human solid manipulation with a bimanual robot platform. #autochem doi.org/10.26434/chemrxiv.15009421/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 21/09/2026
#RobSelects preprint of the week #ChemRxiv: Electron-transfer-catalyzed dearomative bis-silylation of diarylketones. #catalysis doi.org/10.26434/chemrxiv.15008908/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 14/09/2026
#RobSelects preprint of the week #ChemRxiv: An efficient, reciprocal-space, and rotationally invariant power spectrum descriptor for crystalline materials. #cheminf doi.org/10.26434/chemrxiv.15008615/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 06/09/2026
#RobSelects preprint of the week #ChemRxiv: Intermolecular photocatalyzed aza-Paternò-Büchi reaction between n-phosphinyl imines and unactivated alkenes. #catalysis doi.org/10.26434/chemrxiv.15007906/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 23/08/2026
#RobSelects preprint of the week #ChemRxiv: A thio-Mannich type three-component reaction with a carbon nucleophile and a sulfur nucleophile using sodium hydroxymethylsulfinate as one-carbon source. #orgchem doi.org/10.26434/chemrxiv.15007512/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 15/08/2026
#RobSelects preprint of the week #ChemRxiv: Phenoxythiazoline-supported cobalt-catalyzed cross-coupling of aryl bronic acids with alkyl halides promoted by triisopropyl borate. #catalysis doi.org/10.26434/chemrxiv.15007381/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 10/08/2026
#RobSelects preprint of the week #ChemRxiv: Reformulating g-xTB in the overlapping subsystem-based divide-and-conquer approach. #compchem doi.org/10.26434/chemrxiv.15007156/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 04/08/2026
#RobSelects preprint of the week #ChemRxiv: Dithiophosphoric acids as organocatalysts for radical chemistry. #catalysis doi.org/10.26434/chemrxiv.15006758/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 27/07/2026
#RobSelects preprint of the week #ChemRxiv: Mitsunobu reaction via iminophosphoranes formed in situ from aryl azides and trialkyl phosphines. #orgchem doi.org/10.26434/chemrxiv.15006188/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 13/07/2026
#RobSelects preprint of the week #ChemRxiv: Nickel-catalyzed enantioselective cross-coupling of alpha-bromo amides with alkylzirconocenes under blue light irradiation #catalysis doi.org/10.26434/chemrxiv.15005912/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 06/07/2026
#RobSelects paper of the week #angew_chem: Deaminative alkynylation of aliphatic primary amines with alkynyl bromides. #orgchem doi.org/10.1002/anie.1809869
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 06/07/2026
#RobSelects preprint of the week #ChemRxiv: Nickel(0)-olefin pincer-catalyzed hydrogenation of carbonyls under mild conditions. #catalysis doi.org/10.26434/chemrxiv.15005286/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 03/07/2026
#RobSelects paper of the week #angew_chem: Chiral phosphine-ligated enantioselective palladium-catalyzed aminoarylation of protected ortho-allyl anilines with aryl bromides. #catalysis doi.org/10.1002/anie.8602143
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 03/07/2026
#RobSelects preprint of the week #ChemRxiv: Telemetry enables continuous thermometric and calorimetric monitoring of chemical reactions. #autochem doi.org/10.26434/chemrxiv.15005162/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 24/06/2026
#RobSelects paper of the week #Chem: Copper-catalyzed enantioconvergent coupling of alkyl radicals with secondary phosphine oxides. #catalysis doi.org/10.1016/j.chempr.2026.103100
linkinghub.elsevier.com
Redirecting
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 24/06/2026
#RobSelects preprint of the week #ChemRxiv: Photocatalyzed sulfonylative Pauson-Khand type reaction on 1,6-enynes. #catalysis doi.org/10.26434/chemrxiv.15004788/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 15/06/2026
#RobSelects paper of the week #NatureChemistry: Switchable copper-catalyzed N-alpha or N-beta arylation of 3-substituted pyrazoles via ligand choice #catalysis doi.org/10.1038/s41557-026-02148-z
nature.com
Copper-catalysed site-selective arylation of pyrazoles - Nature Chemistry
N-aryl pyrazole is a prevalent motif among pharmaceuticals across various therapeutic areas but can be challenging to synthesize due to the high similarity of the two nitrogen atoms. Now it has been shown that the use of copper catalysis and arynes provides a switchable protocol to access both regioisomers.
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 15/06/2026
#RobSelects preprint of the week #ChemRxiv: A density functional approximation incorporating a multilayer perceptron having integrals of local descriptors as features. #theochem doi.org/10.26434/chemrxiv.15004450/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 08/06/2026
#RobSelects paper of the week #J_A_C_S: Ortho-carbon-hydrogen-alyklation of bromoarenes catalyzed by an imidazole-olefin-ligated palladium complex. #catalysis doi.org/10.1021/jacs.6c02010
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 08/06/2026
#RobSelects preprint of the week #ChemRxiv: Multi-agent framework for planning and evaluating safety in chemistry and materials laboratories. #aichem doi.org/10.26434/chemrxiv.15004378/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 04/06/2026
#RobSelects paper of the week #OrgLett: Isothiourea-catalyzed enantioselective higher-order cycloaddition of photochemically generated ketenes with triflate-substituted tropolones. #catalysis doi.org/10.1021/acs.orglett.6c01642
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 04/06/2026
#RobSelects preprint of the week #ChemRxiv: Reaction of iron carbenes with diazenes to form metallacyclobutanes that undergo subsequent cycloreversion. #orgmet doi.org/10.26434/chemrxiv-2025-10kz…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 18/05/2026
#RobSelects paper of the week #J_A_C_S: Pincer-ligated cobalt-catalyzed four-component carbocarbonylation to form unsymmetric aliphatic ketones. #catalysis doi.org/10.1021/jacs.6c06343
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 18/05/2026
#RobSelects preprint of the week #ChemRxiv: Nickel-catalyzed Suzuki-Miyaura cross coupling of ketones with boronic esters via in-situ ketone derivatization. #catalysis doi.org/10.26434/chemrxiv.15003005/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 11/05/2026
#RobSelects paper of the week #J_A_C_S: Coupling between two tetrahedral carbon centers from an amine and a carboxylic acid catalyzed by an iron porphyrin forming quaternary carbons. #catalysis doi.org/10.1021/jacs.6c05065
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 11/05/2026
#RobSelects preprint of the week #ChemRxiv: Palladium-copper co-catalyzed carbenylative Buchwald-Hartwig coupling between aryl halides, N-tosylhydrazones, and anilines. #catalysis doi.org/10.26434/chemrxiv.15002705/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 04/05/2026
#RobSelects paper of the week #JCTC: Incorporating neural networks into the PBE functional for local density-dependent reparameterization of exchange and correlation terms. #aichem doi.org/10.1021/acs.jctc.6c00270
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 04/05/2026
#RobSelects preprint of the week #ChemRxiv: Stereoselective nickel metallaphotoredox-catalyzed carbon-carbon cross-coupling of alcohols with gem-dibromoalkenes. #catalysis doi.org/10.26434/chemrxiv.15002635/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 27/04/2026
#RobSelects paper of the week ScienceMagazine: Diastereoselective silver-catalyzed carbon-hydrogen activation and carbon-nitrogen bond formation with chiral sulfonimidamide reactants. #catalysis doi.org/10.1126/science.aee3321
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 27/04/2026
#RobSelects preprint of the week #ChemRxiv: Addition of hydroxylamines across cyclooctynes to form nitrones. #orgchem doi.org/10.26434/chemrxiv.15002347/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 20/04/2026
#RobSelects paper of the week #NatureCatalysis: Atroposelective nucleophilic aromatic substitution of fluoronaphthalenes with phenols catalyzed by a chiral phosphonium salt. #catalysis doi.org/10.1038/s41929-026-01522-x
nature.com
Atroposelective organocatalytic nucleophilic aromatic substitution for C–O bond construction - Nature Catalysis
Catalytic access to axially chiral diaryl ethers remains limited by the difficulty of enantioselective C–O bond formation. Now peptide-mimic phosphonium salts enable atroposelective nucleophilic aromatic substitution-driven C–O bond construction, affording axially enantioenriched diaryl ethers.
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 20/04/2026
#RobSelects preprint of the week #ChemRxiv: Integrating deep generative models into automated transition state discovery workflows. #aichem doi.org/10.26434/chemrxiv.15002135/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 14/04/2026
#RobSelects paper of the week #ScienceMagazine: Carbazole-substituted pyridine bis(oxazoline) complexes as a readily accessible family of potent chiral photocatalysts. #catalysis doi.org/10.1126/science.aeb5832
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 14/04/2026
#RobSelects preprint of the week #ChemRxiv: Methylbutyl boronate salt as methylation reagent in Suzuki-Miyaura cross couplings. #catalysis doi.org/10.26434/chemrxiv.15001572/…
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 09/04/2026
#RobSelects paper of the week #J_A_C_S: Excited-state nucleophilic aromatic substitution of nitroarenes. #orgchem doi.org/10.1021/jacs.5c21841
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 30/03/2026
#RobSelects paper of the week #ScienceMagazine: Approaching a liquid-liquid critical point in supercooled water via infrared ultrafast laser pulses. #physchem doi.org/10.1126/science.aec0018
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 15/03/2026
#RobSelects paper of the week J_A_C_S: Discovering approximate non-iterative algorithms for matrix-based electronic structure calculations via symbolic regression. #compchem doi.org/10.1021/jacs.5c22323
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 15/03/2026
#RobSelects paper of the week J_A_C_S: Discovering approximate non-iterative algorithms for matrix-based electronic structure calculations via symbolic regression. #compchem doi.org/10.1021/jacs.5c22323
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 13/03/2026
#RobSelects paper of the week #J_A_C_S: Asymmetric Sm-catalyzed carbon-carbon coupling between alkenes and ketones forming tertiary alcohols. #catalysis doi.org/10.1021/jacs.5c20884
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 03/03/2026
#RobSelects paper of the week #ScienceMagazine: Intramolecular peptide-catalyst-controlled stereoselective Michael addition between the enamine of an aldehyde and a ketovinylester. #catalysis doi.org/10.1126/science.aec8992
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 23/02/2026
#RobSelects paper of the week #ScienceMagazine: Single-molecule vibrational spectroscopy via tunable femtosecond infrared excitation and cryogenic ultra-high vacuum scanning tunneling microscopy. #physchem doi.org/10.1126/science.adz6643
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 16/02/2026
#RobSelects paper of the week #ChemicalScience: Electrochemical one-pot method for rhodium(II)-catalyzed cyclopropanation via in situ oxidation of tert-butyl hydrazones to diazo compounds. #catalysis doi.org/10.1039/D5SC08940A
pubs.rsc.org
eCyclopropanation – A Safe and Scalable Electrochemical Route to Cyclopropanes
Diazo compounds are among the most versatile intermediates in organic synthesis, enabling high-value transformations such as cyclopropanation, X–H insertion, and heterocycle formation. However, their intrinsic instability and hazardous nature have severely restricted their practical use, particularly at scal
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 10/02/2026
#RobSelects paper of the week #ACSCentSci: Systematic statistical analysis of 66,000 organic reactions from high-throughput experiments representative of pharmaceutical drug discovery. #orgchem doi.org/10.1021/acscentsci.5c02031
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 03/02/2026
#RobSelects paper of the week #J_A_C_S: Excited-state triplet thiazole-2-thione biradicals as radical covalent catalysts for skeletal reorganization of N-sulfonyl vinylaziridines. #catalysis doi.org/10.1021/jacs.5c20284
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 26/01/2026
#RobSelects paper of the week #J_A_C_S: Iridium-catalyzed reduction of beta-boryl amides triggers stereospecific cyclization to form aminocyclopropanes. #catalysis doi.org/10.1021/jacs.5c21144
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 21/01/2026
#RobSelects paper of the week #ACSCatalysis: Nickel-catalyzed dehydroxylative cross-coupling of 1-substituted cyclopropanols and boronic acids via gamma-carbon-carbon activation. #catalysis doi.org/10.1021/acscatal.5c07422
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 21/01/2026
#RobSelects preprint of the week #ChemRxiv: Photochemical conversion of aryl azides into pyridines via triplet aryl nitrenes. #orgchem doi.org/10.26434/chemrxiv-2026-jn9zb
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 15/01/2026
Are you interested in any aspect of molecular chemistry? Come and joins us for the first Groningen Molecular Chemistry Symposium (GroMoChem): gromochem.web.rug.nl We have an excellent line-up of speakers, covering a broad range of topics. Additionally, if you are within 4 years of […]
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Original post on mstdn.science
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 12/01/2026
#RobSelects paper of the week #ChemicalScience: Real-space analysis and visualization of steric repulsion based on the Pauli kinetic energy excess. #compchem doi.org/10.1039/D5SC07952G
pubs.rsc.org
A Visualizable and Widely Applicable Steric Repulsion Descriptor for Guiding Experimental Chemistry
While steric effects fundamentally shape molecular behavior and are experiencing renewed interest across chemistry, visualizing where they occur remains challenging. Indeed, steric interactions have traditionally been depicted in a qualitative, often sketchy manner. We present SELF (Steric Exclusion Localiza
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