2024
Amichi H, Merouani S, Dehane A, Bouchoucha H, Hamdaoui O (2024) Photo(solar)-Activated Hypochlorite Treatment: Radicals Analysis Using a Validated Model and Assessment of Efficiency in Organic Pollutants Degradation. Processes 12:1853
Environmental Sciences
Chemistry
Link
Angeli L, Morozova K, Dawid C, Scampicchio M, Stark TD (2024) UPLC-ESI-TOF MS Profiling Discriminates Biomarkers in Authentic and Adulterated Italian Samples of Saffron (Crocus sativus L.). ACS Food Science & Technology 4:1783–1794
Chemistry
Biochemistry
Link
Bennett T, Geue N, Timco G, Whitehead G, Vitorica-Yrezabal I, Barran P, McInnes E, Winpenny R ( (n.d.)) Studying Cation Exchange in Cr7Co Pseudorotaxanes: Preparatory Studies for Hybrid Molecular Machines. Chemistry 30:e202400432
Chemistry
Link
Bermejo-López A, Li M, Dharanipragada NVRA, Raeder M, Inge AK, Himo F, Martín-Matute B (2024) A general catalyst for the base-free mono-N-alkylation of aromatic and aliphatic amines with alcohols. Cell Reports Physical Science 5: 101991.
Chemistry
Link
Biosca M, Szabó KJ, Himo F (2024) Mechanism of Asymmetric Homologation of Alkenylboronic Acids with CF3-Diazomethane via Borotropic Rearrangement. Journal of Organic Chemistry 89:4538–4548
Chemistry
Link
Chen J, Prinsloo R, Ni X (2024) A Kinetic Study of a Photo-Oxidation Reaction between α-Terpinene and Singlet Oxygen in a Novel Oscillatory Baffled Photo Reactor. Technologies 12:29
Chemistry
Link
de la Vega-Hernández K, Suero MG, Ballester P (2024) Investing in entropy: the strategy of cucurbit[n]urils to accelerate the intramolecular Diels–Alder cycloaddition reaction of tertiary furfuryl amines. Chemical Science 15:8841–8849
Chemistry
Link
Dehane A, Merouani S (2024) A semi-empirical approach for determining the number density and void fraction of acoustic cavitation bubbles in sono-reactors. Vietnam Journal of Chemistry 62:141–150
Chemistry
Link
Deng M, Yu J, Blackmond DG (2024) Symmetry breaking and chiral amplification in prebiotic ligation reactions. Nature 626:1019–1024
Chemistry
Biochemistry
Link
Díaz-Ruiz M, Nieto-Rodríguez M, Maseras F (2024) Revealing the Mechanistic Features of an Electrosynthetic Catalytic Reaction and the Role of Redox Mediators through DFT Calculations and Microkinetic Modeling. ChemPhysChem 25:e202400402
Chemistry
Link
Eisenhardt KHS, Fiorentini F, Lindeboom W, Williams CK (2024) Quantifying CO2 Insertion Equilibria for Low-Pressure Propene Oxide and Carbon Dioxide Ring Opening Copolymerization Catalysts. Journal of the American Chemical Society 146:10451–10464
Chemistry
Link
Eisenhardt KHS, Fiorentini F, Williams CK (2024) Understanding the Effect of M(III) Choice in Heterodinuclear Polymerization Catalysts. Inorganic Chemistry 63:23438–23449
Chemistry
Link
Galeas DM, Tolbatov I, Colacino E, Maseras F (2024) Computational study on the mechanism for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions. Physical Chemistry Chemical Physics. 26:24288–24293
Chemistry
Link
Gondre C, Meille V, Ouali M, Postole G, Loridant S, Pinel C, Perret N (2024) Investigation of the bifunctionality of catalysts based on Rh associated with an oxophilic promoter in the hydrogenolysis of tetrahydrofurfuryl alcohol to 1,5-pentanediol. Journal of Catalysis 430:115305
Chemistry
Link
Lancaster HG, Goodall JC, Douglas SP, Ashfield LJ, Duckett SB, Perutz RN, Weller AS (2024) Platinum(II) Phenylpyridyl Schiff Base Complexes as Latent, Photoactivated, Alkene Hydrosilylation Catalysts. ACS Catalysis 14:7492–7505
Chemistry
Link
Li X, Fomitskaya P, Smaliak VA, Smith BS, Skorb EV, Semenov SN (2024) Selenium catalysis enables negative feedback organic oscillators. Nature Communications 15:3316
Chemistry
Link
MacHale LT, Whitehead CB, Finke RG (2024) Platinum Nanoparticle Formation Kinetics and Mechanistic Studies: Evidence for an Alternative 4-Step Mechanism Involving Size-Dependent Growth and Chloride Anion and Room-Dust-Dependent Nucleation. The Journal of Physical Chemistry C 128:13083–13096
Chemistry
Link
Marchetti T, Roberts BMW, Frezzato D, Prins LJ (2024) A Minimalistic Covalent Bond-Forming Chemical Reaction Cycle that Consumes Adenosine Diphosphate. Angewandte Chemie International Edition 63:e202402965
Chemistry
Biochemistry
Link
Poprawa SM, Stasi M, Kriebisch BAK, Wenisch M, Sastre J, Boekhoven J (2024) Active droplets through enzyme-free, dynamic phosphorylation. Nature Communications 15:4204
Chemistry
Synthetic Biology
Signaling
Link
Porey A, Fremin SO, Nand S, Trevino R, Hughes WB, Dhakal SK, Nguyen VD, Greco SG, Arman HD, Larionov OV (2024) Multimodal Acridine Photocatalysis Enables Direct Access to Thiols from Carboxylic Acids and Elemental Sulfur. ACS Catalysis 14:6973–6980
Chemistry
Link
Reißenweber L, Uhl E, Hampel F, Mayer P, Dube H (2024) Directionality Reversal and Shift of Rotational Axis in a Hemithioindigo Macrocyclic Molecular Motor. Journal of the American Chemical Society 146:23387–23397
Chemistry
Link
Rowett AC, Sweeting SG, Heard DM, Lennox AJJ (2024) A Stoichiometric Haloform Coupling for Ester Synthesis with Secondary Alcohols. Angewandte Chemie 136:e202400570
Chemistry
Link
Sánchez-Campillo I, Blanco-Canosa JB (2024) Kinetic and Mechanistic Studies of Native Chemical Ligation with Phenyl α-Selenoester Peptides. JACS Au 4:4374–4382
Chemistry
Biochemistry
Link
Sannes DK, Pulumati SH, Skúlason E, Nova A, Olsbye U (2024) CO 2 hydrogenation to methanol over Pt functionalized Hf-UiO-67 versus Zr-UiO-67. Philosophical Transactions of the Royal Society A 382:20230269
Chemistry
Link
Sharma AK, Maseras F (2024) The Subtle Mechanism of Nickel-Photocatalyzed C(sp3)–H Cross-Coupling. Inorganic Chemistry 63:13801–13806
Chemistry
Link
Seno C, Pokratath R, Unniram Parambil AR, Van den Eynden D, Dhaene E, Prescimone A, De Roo J (2024) Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides. Dalton Transactions 53:9862–9873
Chemistry
Link
Sneddon D (2024) The Anhydride-HDDA Reaction and Further Expansion of Hexadehydro-Diels–Alder-based Reaction Methodologies. PhD Thesis, University of Minnesota, Twin Cities, MN, USA.
Chemistry
Link
Sollin M, Hosseininasab S, Malenfant J, El-Akhrass M, Lopez de Arbina A, Montulet A, Frenette M (2024) Oxidation of secondary hydroperoxides via αC–H abstraction to form ketones and hydroxyl radicals: fluorene autoxidation as a model system. Canadian Journal of Chemistry 102:1–6
Chemistry
Link
Steiner MR, Schmallegger M, Donner L, Hlina JA, Marschner C, Baumgartner J, Slugovc C (2024) Using the phospha-Michael reaction for making phosphonium phenolate zwitterions. Beilstein Journal of Organic Chemistry 20:41–51
Chemistry
Link
Stindt CN, Crespi S, Feringa BL (2024) Synthesis of Styrylbenzazole Photoswitches and Evaluation of their Photochemical Properties. Chemistry 30:e202401409
Chemistry
Link
Su P, Liang H, Li Y, Ke Z (2024) Insight into Roles of Rare-Earth Metals in Heterobimetallic Ni–Y Bifunctional Catalysis for Alkyne Semihydrogenation. ACS Catalysis 14:18278–18291
Chemistry
Link
Tonis E, Tzouras NV, Bracho Pozsoni N, Saab M, Bhandary S, Van Hecke K, Nelson DJ, Nahra F, Nolan SP, Vougioukalakis GC (2024) Modular Synthesis of Azines Bearing a Guanidine Core from N-Heterocyclic Carbene (NHC)-Derived Selenoureas and Diazo Reagents. Chemistry – A European Journal 30:e202401816
Chemistry
Link
Yang Y, Stanbury DM (2024) Oxidation of Methanesulfinate by Hexachloroiridate(IV) and the Standard Electrode Potential of the Aqueous Methanesulfonyl Radical. Inorganic Chemistry 63:1625–1632
Chemistry
Link
33 publications
2023
Absalyamov DZ, Vitkovskaya NM, Orel VB, Schmidt EYu, Trofimov BA (2023) Quantum-Chemical Insight into Self-Organization of Complex Molecules from Acetylene and Anilines Catalyzed by Superbase KOH/DMSO: One-Pot Cascade Assembly of 1,3-Bis(arylamines). Asian Journal of Organic Chemistry 12:e202300042
Chemistry
Link
Bukvic AJ, Kesselring V, Aeschlimann M, Albrecht M (2023) Pincer Platinum(II) Hydrides: High Stability Imparted by Donor-Flexible Pyridylidene Amide Ligands and Evidence for Adduct Formation before Protonation. Inorganic Chemistry 62:2905–2912
Chemistry
Link
Campeau D, Pommainville A, Gorodnichy M, Gagosz F (2023) Copper and Silver Catalysis in the (3 + 2) Cycloaddition of Neutral Three-Atom Components with Terminal Alkynes. Journal of the American Chemical Society 145:19018–19029
Chemistry
Link
Collins S, Linnolahti M (2023) Ionization of Cp2ZrMe2 and Lewis Bases by Methylaluminoxane: Computational Insights. ChemPhysChem 24:e202200759
Chemistry
Link
Cruz E, Montoya A, Ágreda J (2023) Linear stability analysis of chemical mechanism, Listanalchem: A tool for the search of spontaneous mirror symmetry breaking. MethodsX 11:102307
Chemistry
Software
Link
Dalligos DM, Pilling MJ, Dimitrakis G, Ball LT (2023) Coaxial Dielectric Spectroscopy as an In-Line Process Analytical Technique for Reaction Monitoring. Organic Process Research & Development 27:1094–1103
Laboratory Method
Chemistry
Link
Deem M (2023) Application of time course-based kinetic methods to complex catalytic systems. Ph.D. Thesis, University of British Columbia, Vancouver, Canada
Chemistry
Link
Doellerer D, Pooler DRS, Guinart A, Crespi S, Feringa BL (2023) Highly Efficient Oxindole-Based Molecular Photoswitches. Chemistry 29:e202301634
Chemistry
Link
Dougher M, Soh L, Bala AM (2023) Techno-Economic Analysis of Interesterification for Biodiesel Production. Energy & Fuels 37:2912–2925
Chemistry
Link
Eisele N (2023) Electrospray-Ionization Mass Spectrometry for the Analysis and Quantification of Carbanions. Ph.D. Thesis, Georg-August University, Göttingen, Germany
Chemistry
Laboratory Method
Link
Eisele NF, Peters M, Koszinowski K (2023) Live Monitoring of Anionic Living Polymerizations by Electrospray-Ionization Mass Spectrometry. Chemistry – A European Journal 29:e202203762
Chemistry
Link
Jabbari-Hichri A, Bourouina A, Biard P-F, Denicourt-Nowicki A, Roucoux A, Zanota M-L, Campoli F, De Bellefon C, Meille V (2023) Open cell foam materials as Pd reservoirs for Suzuki-Miyaura coupling catalysis at ppb level. Reaction Chemistry & Engineering 8:1799–1804
Chemistry
Link
Jannsen N, Jurrat J, Neumann H, Fischer C, Thede R, Heller D (2023) Major–minor concept revisited: causes for the reversal of thermodynamically determined intermediate ratios under reaction conditions. Catalysis Science & Technology 13:4498–4505
Chemistry
Biochemistry
Link
Keypour H, Kouhdareh J, Alavinia S, Rabiei K, Mohammadi M, Maryamabadi A, Babaei S (2023) Post-synthetic modification of dual-porous UMCM-1-NH2 with palladacycle complex as an effective heterogeneous catalyst in Suzuki and Heck coupling reactions. Journal of Organometallic Chemistry 989:122646
Chemistry
Link
Kyrimis S (2023) Towards realistic large-scale simulations of fixed bed chemical reactors: Bridging the gap between discrete element and porous media computational fluid dynamics models. Ph.D. Thesis, University of Southampton, UK
Chemistry
Link
Land MA, Ren J, Roberts NJ, Bamford KL, Shayan M, Kutulska A, George T, Masuda JD, Chitnis SS (2023) An Improved Synthesis of PN-adamantanoid Cages P4(NR)6 and a Mechanistic Study of their Fourfold Oxidation. Chemistry – An Asian Journal 18:e202300561
Chemistry
Link
Larbi Djaballah M, Belghit A, Dehane A, Merouani S, Hamdaoui O, Ashokkumar M (2023) Radicals (●OH, Cl●, ClO● and Cl2●–) concentration profiles in the intensified degradation of reactive green 12 by UV/chlorine process: Chemical kinetic analysis using a validated model. Journal of Photochemistry and Photobiology 439:114557
Chemistry
Link
Li Y, Liang H, Liu Y, Lin J, Ke Z (2023) Unraveling the Role of Silyl and Silane in Si–Ni Catalysts for Hydrogenation. ACS Catalysis 13:13008–13020
Chemistry
Link
Liang H, Borys AM, Hevia E, Perrin M-EL, Payard P-A (2023) Shedding Light on the Hidden Roles of Lithium in the Nickel-Catalyzed Cross-Coupling of Aryl Ethers. Journal of the American Chemical Society 145:19989–19999
Chemistry
Link
Liu E, Cherraben S, Boulo L, Troufflard C, Hasenknopf B, Vives G, Sollogoub M (2023) A molecular information ratchet using a cone-shaped macrocycle. Chem 9:1147–1163
Chemistry
Link
Liu S, Conley MP, Schrock RR (2023) Synthesis of Mo(IV) para-Substituted Styrene Complexes and an Exploration of Their Conversion to 1-Phenethylidene Complexes. Organometallics 42:1087–1093
Chemistry
Link
Marcos-Ayuso G, Peñas de Frutos MN, Gallego AM, García-Melchor M, Martínez-Ilarduya JM, Espinet P (2023) Problematic ArF-Alkynyl Coupling with Fluorinated Aryls. From Partial Success with Alkynyl Stannanes to Efficient Solutions via Mechanistic Understanding of the Hidden Complexity. Journal of the American Chemical Society 145:527–536
Chemistry
Link
Medasani B, Kasiraju S, Vlachos DG (2023) OpenMKM: An Open-Source C++ Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic Reactions. Journal of Chemical Information and Modeling 63:3377–3391
Software
Chemistry
Link
Mekic M, Schaefer T, Hoffmann EH, Aiyuk MBE, Tilgner A, Herrmann H (2023) Temperature-Dependent Oxidation of Hydroxylated Aldehydes by •OH, SO4•–, and NO3• Radicals in the Atmospheric Aqueous Phase. The Journal of Physical Chemistry 127:6495–6508
Chemistry
Environmental Sciences
Link
Nabintu Kajoka C, Gasperi J, Brosillon S, Caupos E, Mebold E, Oliveira M, Rocher V, Chebbo G, Le Roux J (2023) Reactivity of Performic Acid with Organic and Inorganic Compounds: From Oxidation Kinetics to Reaction Pathways. ACS EST Water 3:3121–3131
Environmental Sciences
Chemistry
Link
Osypenko A, Cabot R, Armao IV JJ, Kovaříček P, Santoro A, Lehn J-M (2023) Behavior of Constitutional Dynamic Networks: Competition, Selection, Self-sorting in Cryptate Systems. ChemistryEurope 1:e202300017
Chemistry
Link
Palermo JC, Carllinni Colombo M, Semelak JA, Scocozza MF, Boubeta FM, Murgida DH, Estrin DA, Bari SE (2023) Autocatalytic Mechanism in the Anaerobic Reduction of Metmyoglobin by Sulfide Species. Inorganic Chemistry 62:11304–11317
Chemistry
Link
Pokratath R, Lermusiaux L, Checchia S, Mathew JP, Cooper SR, Mathiesen JK, Landaburu G, Banerjee S, Tao S, Reichholf N, Billinge SJL, Abécassis B, Jensen KMØ, De Roo J (2023) An Amorphous Phase Precedes Crystallization: Unraveling the Colloidal Synthesis of Zirconium Oxide Nanocrystals. ACS Nano 17:8796–8806
Chemistry
Link
Rowett BC (2023) A Stoichiometric Haloform Coupling for Ester Synthesis. Ph.D. Thesis, The University of Bristol, UK
Chemistry
Link
Sader S (2023) Quantum Chemical Studies on the Catalytic Potential of Anionic Transition Metal Compounds in Methane to Methanol and Carbon Dioxide Carboxylation Reactions. Ph.D. Thesis, Auburn University, Alabama.
Chemistry
Link
Sagmeister P, Schiller C, Weiss P, Silber K, Knoll S, Horn M, Hone CA, Williams JD, Kappe CO (2023) Accelerating reaction modeling using dynamic flow experiments, part 1: design space exploration. Reaction Chemistry & Engineering 8:2818–2825
Chemistry
Link
31 publications
2022
Akbulut D, Özkar S (2022) A review of the catalytic conversion of glycerol to lactic acid in the presence of aqueous base. RSC Advances 12:18864–18883
Chemistry
Link
Altus K (2022) Synthesis and characterisation of platinum(II) methyl complexes and their reactivity towards carbon-hydrogen (C-H) and carbon-halogen bonds (C-X). Ph.D. Thesis, University of British Columbia, Vancouver, Canada.
Chemistry
Link
Angelini AAR, Gache SAM, Lurdes Sabeckis M, Melian NA, Flecha FLG (2022) On the role of citrate in 12-molybdophosphoric-acid methods for quantification of phosphate in the presence of ATP. New Journal of Chemistry 46:12401–12409
Chemistry
Biochemistry
Link
Bourdon-García RD, Ágreda J, Burgos-Salcedo J, Hochberg D, Ribó JM, Bargueño P, Salamanca AE (2022) Stoichiometric network analysis in reaction networks yielding spontaneous mirror symmetry breaking in a prebiotic atmosphere. Physical Chemistry Chemical Physics 24:20788–20802
Biochemistry
Chemistry
Link
Das A, Mandal SC, Pathak B (2022) Mechanistic exploration of CO2 conversion to dimethoxymethane (DMM) using transition metal (Co, Ru) catalysts: an energy span model. Physical Chemistry Chemical Physics 24:8387–8397
Chemistry
Link
de la Sovera V, Martínez S, Umpiérrez D, Vila MA, Gonzalez D, Seoane G, Veiga N, Carrera I (2022) Synthesis of Azido-Dienediols by Enzymatic Dioxygenation of Benzylazides: An Experimental and Theoretical Study. European Journal of Organic Chemistry 2022:e202101156
Chemistry
Enzymology
Link
Deem MC, Derasp JS, Malig TC, Legard K, Berlinguette CP, Hein JE (2022) Ring walking as a regioselectivity control element in Pd-catalyzed C-N cross-coupling. Nature Communications 13:2869
Chemistry
Link
Fernández Moyano S (2022) Análisis de los procesos de intercambio arilo/haluro en AuIII y revisión de los conceptos retrodonación e influencia trans en sistemas MIIICp*. Ph.D. Thesis, Universidad de Valladolid, Spain.
Chemistry
Link
Hamsath A, Lederberg OL, Cui Q, Shieh M, Lam Y, Brummett BJ, Xu S, Robinson JR, Xian M (2022) Intramolecular tetrazine-acryloyl cycloaddition: chemistry and applications. Chemical Science 13:10336–10341
Chemistry
Link
Holman SDL, Wills AG, Fazakerley NJ, Poole DL, Coe DM, Berlouis LA, Reid M (2022) Electrochemical Synthesis of Isoxazolines: Method and Mechanism. Chemistry 28:e202103728
Chemistry
Link
Huang Q, Lee GY, Li J, Wang C, Zhao RL, Deng Z, Houk KN, Zhao Y-L (2022) Origin of iodine preferential attack at sulfur in phosphorothioate and subsequent P-O or P-S bond dissociation. Proceedings of the National Academy of Sciences USA 119:e2119032119
Chemistry
Link
Kathan M, Crespi S, Thiel NO, Stares DL, Morsa D, de Boer J, Pacella G, van den Enk T, Kobauri P, Portale G, Schalley CA, Feringa BL (2022) A light-fuelled nanoratchet shifts a coupled chemical equilibrium. Nature Nanotechnology 17:159–165
Chemistry
Biotechnology
Macromolecular Biochemistry
Link
Kurokhtina AA, Larina EV, Lagoda NA, Schmidt AF (2022) The Role of Catalyst Formation–Deactivation Processes and Evidence for a Nonlinear Mechanism in the Mizoroki–Heck Reaction with Aryl Chlorides. Kinetics and Catalysis 63:543–554
Chemistry
Link
Li G-Q, Huo Z-Y, Wu Q-Y, Chen Z, Wu Y-H, Lu Y, Hu H-Y (2022) Photolysis of free chlorine and production of reactive radicals in the UV/chlorine system using polychromatic spectrum LEDs as UV sources. Chemosphere 286:131828
Chemistry
Link
Li M, Liao R-Z (2022) Water Oxidation Catalyzed by a Bioinspired Tetranuclear Manganese Complex: Mechanistic Study and Prediction. ChemSusChem 15:e202200187
Chemistry
Link
Li Y, Cheng H (2022) Autocatalytic effect of in situ formed (hydro)quinone intermediates in Fenton and photo-Fenton degradation of non-phenolic aromatic pollutants and chemical kinetic modeling. Chemical Engineering Journal 449:137812
Chemistry
Link
Lueckheide MJ, Ertem MZ, Michon MA, Chmielniak P, Robinson JR (2022) Peroxide-Selective Reduction of O2 at Redox-Inactive Rare-Earth(III) Triflates Generates an Ambiphilic Peroxide. Journal of the American Chemical Society 144:17295–17306
Chemistry
Link
MacKeown H, von Gunten U, Criquet J (2022) Iodide sources in the aquatic environment and its fate during oxidative water treatment - A critical review. Water Research 217:118417
Chemistry
Environmental Sciences
Link
Mayer RJ, Hampel N, Ofial AR, Mayr H (2022) Resolving the Mechanistic Complexity in Triarylborane-Induced Conjugate Additions. ACS Catalysis 12:15298–15309
Chemistry
Link
Mayr S, Zipse H (2022) Annelated Pyridine Bases for the Selective Acylation of 1,2-Diols. European Journal of Organic Chemistry 2022:e202101521
Chemistry
Link
McDaniel T, Smith NE, Cueny ES, Landis CR (2022) Dual-Chain Polymerization at an Early Transition-Metal Single-Site Catalyst. ACS Catalysis 12:10680–10689
Chemistry
Link
Mirabella CFM, Aragay G, Ballester P (2022) Influence of the solvent in the self-assembly and binding properties of [1 + 1] tetra-imine bis-calix[4]pyrrole cages. Chemical Science 14:186–195
Chemistry
Link
Német N, Miele Y, Shuszter G, Tóth EL, Maróti JE, Szabó PJ, Rossi F, Lagzi I (2022) Inhibition of the urea-urease reaction by the components of the zeolite imidazole frameworks-8 and the formation of urease-zinc-imidazole hybrid compound. Reaction Kinetics, Mechanisms and Catalysis 135:15–28
Chemistry
Link
Pallu J, Rabin C, Hui P, Moreira TS, Creste G, Calvet C, Limoges B, Mavré F, Branca M (2022) Exponential amplification by redox cross-catalysis and unmasking of doubly protected molecular probes. Chemical Science 13:2764–2777
Chemistry
Link
Pérez-Saavedra B, Velasco-Rubio Á, Rivera-Chao E, Varela JA, Saá C, Fañanás-Mastral M (2022) Catalytic Lewis Base Additive Enables Selective Copper-Catalyzed Borylative α-C-H Allylation of Alicyclic Amines. Journal of the American Chemical Society 144:16206–16216
Chemistry
Link
Pini F, Francés-Soriano L, Peruffo N, Barbon A, Hildebrandt N, Natile MM (2022) Spatial and Temporal Resolution of Luminescence Quenching in Small Upconversion Nanocrystals. ACS Applied Materials & Interfaces 14:11883–11894
Chemistry
Link
Rivas FJ (2022) Monopersulfate in water treatment: Kinetics. Journal of Hazardous Materials 430:128383
Chemistry
Link
Sader S, Miliordos E (2022) Being negative can be positive: metal oxide anions promise more selective methane to methanol conversion. Physical Chemistry Chemical Physics 24:21583–21587
Chemistry
Link
Sarang K (2022) Atmospheric Secondary Organic Aerosol: Kinetic and Chemical Studies of in-Cloud Reactions of Selected Plant Volatiles. Ph.D. Thesis, Institute of Physical Chemistry of the Polish Academy of Sciences, Warsaw, Poland.
Chemistry
Environmental Sciences
Link
Schmallegger M, Grützmacher H, Gescheidt G (2022) Bis(acyl)phosphine Oxides as Stoichiometric Photo-Reductants for Copper Nanoparticle Synthesis: Efficiency and Kinetics. ChemPhotoChem 6:e202200155
Chemistry
Link
Sun Y, Zhou P, Zhang P, Meng S, Zhou C, Liu Y, Zhang H, Xiong Z, Duan X, Lai B (2022) New insight into carbon materials enhanced Fenton oxidation: A strategy for green iron(III)/iron(II) cycles. Chemical Engineering Journal 450:138423
Chemistry
Link
Tamosiunaite N, Logie LC, Neale SE, Singh K, Davies DL, Macgregor SA (2022) Experimental and Computational Studies on the Acetate-Assisted C–H Activation of N-Aryl Imidazolium Salts at Rhodium and Iridium: A Chloride Additive Changes the Selectivity of C–H Activation. Journal of Organic Chemistry 87:1445–1456
Chemistry
Link
Wang M (2022) Bottom-up synthesis of Nicotinamide Adenine Dinucleotide (NAD) regeneration modules for artificial cells. Ph.D. Thesis, Otto von Guericke Universität Magdeburg, Germany
Synthetic Biology
Chemistry
Link
Zhang Y-Q, Li Y-Y, Maseras F, Liao R-Z (2022) Mechanism and selectivity of photocatalyzed CO2 reduction by a function-integrated Ru catalyst. Dalton Transactions 51:3747–3759
Chemistry
Link
34 publications
2021
Abdallah P, Dossier-Berne F, Karpel Vel Leitner N, Deborde M (2021) Methylparaben chlorination in the presence of bromide ions and ammonia: kinetic study and modeling. Environmental Science and Pollution Research 28:31256–31267
Chemistry
Environmental Sciences
Link
Berezovets V, Kytsya A, Zavaliy I, Yartys VA (2021) Kinetics and mechanism of MgH2 hydrolysis in MgCl2 solutions. International Journal of Hydrogen Energy 46:40278–40293
Chemistry
Link
Berezovets V, Kytsya A, Verbovytskyy Yu, Zavaliy I, Yartys VA (2021) Hydrolysis of MgH2 in MgCl2 solutions as an effective way for hydrogen generation. In: Hydrogen Based Energy Storage: Status and Recent Developments. Institute for Problems in Materials Science, 38–52.
Chemistry
Link
Biswas S, Blessent MJ, Gordon BM, Zhou T, Malakar S, Wang DY, Krogh-Jespersen K, Goldman AS (2021) Origin of Regioselectivity in the Dehydrogenation of Alkanes by Pincer–Iridium Complexes: A Combined Experimental and Computational Study. ACS Catalysis 11:12038–12051
Chemistry
Link
Carrasco D, Casares JA (2021) Experimental study of the [ZnCl2(THF)2] catalyzed cis/trans-isomerization of [Pd(C6Cl2F3)Me(PPh3)2] and of the transmetalation of trans-[PdCl(C6Cl2F3)(PPh3)2] with [ZnMeCl(THF)2]. Inorganica Chimica Acta 517:120206
Chemistry
Link
Collins S, Joshi A, Linnolahti M (2021) Formation and Structure of Hydrolytic Methylaluminoxane Activators. Chemistry 27:15460–15471
Chemistry
Link
Coste SC, Brezny AC, Koronkiewicz B, Mayer JM (2021) C-H oxidation in fluorenyl benzoates does not proceed through a stepwise pathway: revisiting asynchronous proton-coupled electron transfer. Chemical Science 12:13127–13136
Chemistry
Link
Das A, Mandal SC, Pathak B (2021) Unraveling the catalytically preferential pathway between the direct and indirect hydrogenation of CO2 to CH3OH using N-heterocyclic carbene-based Mn(I) catalysts: a theoretical approach. Catalysis Science & Technology 11:1375–1385
Chemistry
Link
de Barros HR, Tanaka LY, da Silva RTP, Santiago-Arcos J, de Torresi SIC, López-Gallego F (2021) Assembly of Nano-Biocatalyst for the Tandem Hydrolysis and Reduction of p-Nitrophenol Esters. Particle & Particle Systems Characterization 38:2100136
Chemistry
Link
de Gracia Retamosa M, Ruiz-Olalla A, Agirre M, de Cózar A, Bello T, Cossío FP (2021) Additive and Emergent Catalytic Properties of Dimeric Unnatural Amino Acid Derivatives: Aldol and Conjugate Additions. Chemistry 27:15671–15687
Chemistry
Link
Del Giudice D, Spatola E, Valentini M, Bombelli C, Ercolani G, Di Stefano S (2021) Time-programmable pH: decarboxylation of nitroacetic acid allows the time-controlled rising of pH to a definite value. Chemical Science 12:7460–7466
Chemistry
Laboratory Method
Link
Djaballah ML, Merouani S, Bendjama H, Hamdaoui O (2021) Development of a free radical-based kinetics model for the oxidative degradation of chlorazol black in aqueous solution using periodate photoactivated process. Journal of Photochemistry and Photobiology 408:113102
Chemistry
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Escala DM (2021) Hydrodynamic instabilities coupled with complex chemical reactions: control, characterization and their modeling. Ph.D. Thesis, Universidad de Santiago de Compostela, Spain.
Chemistry
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Farinelli G, Di Luca A, Kaila VRI, MacLachlan MJ, Tiraferri A (2021) Fe-chitosan complexes for oxidative degradation of emerging contaminants in water: Structure, activity, and reaction mechanism. Journal of Hazardous Materials 408:124662
Biotechnology
Chemistry
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Frolova AY, Pakhomov AA, Martynov VI (2021) Physicochemical Properties of Photoconvertible Fluorescent Protein from Montastraea cavernosa. Russian Journal of Bioorganic Chemistry 47:244–251
Chemistry
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Genovese D, Baschieri A, Vona D, Baboi RE, Mollica F, Prodi L, Amorati R, Zaccheroni N (2021) Nitroxides as Building Blocks for Nanoantioxidants. ACS Applied Materials & Interfaces 13:31996–32004
Chemistry
Materials Science
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Guo Y, Baschieri A, Mollica F, Valgimigli L, Cedrowski J, Litwinienko G, Amorati R (2021) Hydrogen Atom Transfer from HOO. to ortho-Quinones Explains the Antioxidant Activity of Polydopamine. Angewandte Chemie International Edition 60:15220–15224
Chemistry
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Haque MA, Morozova K, Lawrence N, Ferrentino G, Scampicchio M (2021) Radical Scavenging Activity of Antioxidants by Cyclic Voltammetry. Electroanalysis 33:23–28
Chemistry
Biophysics
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Héron JDJ (2021) C-H Activation and CuAAC Reactions with 1,8-Naphthyridine Based Dicopper Complexes from a Computational Perspective. Ph.D. Thesis, University of Oslo, Norway.
Chemistry
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Kalkman ED, Hartwig JF (2021) Direct Observation of Diastereomeric α-C-Bound Enolates during Enantioselective α-Arylations: Synthesis, Characterization, and Reactivity of Arylpalladium Fluorooxindole Complexes. Journal of the American Chemical Society 143:11741–11750
Chemistry
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Leopold M, Siebert M, Siegle AF, Trapp O (2021) Reaction Network Analysis of the Ruthenium-Catalyzed Reduction of Carbon Dioxide to Dimethoxymethane. ChemCatChem 13:2807–2814
Chemistry
Link
Li Y, Cheng H (2021) Chemical kinetic modeling of organic pollutant degradation in Fenton and solar photo-Fenton processes. Journal of the Taiwan Institute of Chemical Engineers 123:175–184
Chemistry
Environmental Sciences
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Lin Q, Fu Y, Liu P, Diao T (2021) Monovalent Nickel-Mediated Radical Formation: A Concerted Halogen-Atom Dissociation Pathway Determined by Electroanalytical Studies. Journal of the American Chemical Society 143:14196–14206
Chemistry
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Liu S, Boudjelel M, Schrock RR, Conley MP, Tsay C (2021) Interconversion of Molybdenum or Tungsten d2 Styrene Complexes with d0 1-Phenethylidene Analogues. Journal of the American Chemical Society 143:17209–17218
Chemistry
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Matsuura R, Karunananda MK, Liu M, Nguyen N, Blackmond DG, Engle KM (2021) Mechanistic Studies of Pd(II)-Catalyzed E/Z Isomerization of Unactivated Alkenes: Evidence for a Monometallic Nucleopalladation Pathway. ACS Catalysis 11:4239–4246
Chemistry
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Meftah Y, Boumedjane Y, Fleurat-Lessard P, Delbecq F, Michel C (2021) Enantioselective reduction of prochiral ketones promoted by amino amide ruthenium complexes: A DFT study. Journal of Organometallic Chemistry 939:121765
Chemistry
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Pham J, Jarczyk CE, Reynolds EF, Kelly SE, Kim T, He T, Keith JM, Chianese AR (2021) The key role of the latent N–H group in Milstein’s catalyst for ester hydrogenation. Chemical Science 12:8477–8492
Chemistry
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Salamanca V, Albéniz AC (2021) Faster palladium-catalyzed arylation of simple arenes in the presence of a methylketone: beneficial effect of an a priori interfering solvent in C–H activation. Organic Chemistry Frontiers 8:1941-1951
Chemistry
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Sánchez Pladevall B (2021) Beyond conventional DFT catalysis: Mechanochemistry and solid reductants. Ph.D. Thesis, Universitat Rovira i Virgili, Tarragona, Spain.
Chemistry
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Sarang K, Otto T, Rudzinski K, Schaefer T, Grgić I, Nestorowicz K, Herrmann H, Szmigielski R (2021) Reaction Kinetics of Green Leaf Volatiles with Sulfate, Hydroxyl, and Nitrate Radicals in Tropospheric Aqueous Phase. Environmental Science & Technology 55:13666–13676
Chemistry
Environmental Sciences
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Sollin M (2021) Analyse quantitative de l’oxydation radicalaire de matériaux organiques : étude cinétique et théorique de l’oxydation des hydroperoxydes. Masters Thesis, Université Du Québec À Montréal, Canada.
Chemistry
Link
Suàrez LA (2021) Computational Study on the Deaminative Hydrogenation of Amides Catalyzed by Base Metal Complexes. Ph.D. Thesis, University of Oslo, Norway.
Chemistry
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Valletti N, Budroni MA, Lagzi I, Marchettini N, Sanchez-Dominguez M, Rossi F (2021) Interfacial Mass Transfer in Trichloroethylene/Surfactants/ Water Systems: Implications for Remediation Strategies. Reactions 2:312–322
Chemistry
Environmental Sciences
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Wang JY, Choi K, Zuend SJ, Borate K, Shinde H, Goetz R, Hartwig JF (2021) Cross-Coupling between Hydrazine and Aryl Halides with Hydroxide Base at Low Loadings of Palladium by Rate-Determining Deprotonation of Bound Hydrazine. Angewandte Chemie International Edition 60:399–408
Chemistry
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Whitehead CB, Handwerk DR, Shipman PD, Li Y, Frenkel AI, Ingham B, Kirby NM, Finke RG (2021) Nanoparticle Formation Kinetics, Mechanisms, and Accurate Rate Constants: Examination of a Second-Generation Ir(0)n Particle Formation System by Five Monitoring Methods Plus Initial Mechanism-Enabled Population Balance Modeling. Journal of Physical Chemistry 125:13449–13476
Chemistry
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Yin Q, Xu Z, Lian T, Musaev DG, Hill CL, Geletii YV (2021) Tafel Slope Analyses for Homogeneous Catalytic Reactions. Catalysts 11:87
Chemistry
Link
Younas SL, Streuff J (2021) Kinetic Analysis Uncovers Hidden Autocatalysis and Inhibition Pathways in Titanium(III)-Catalyzed Ketone-Nitrile Couplings. ACS Catalysis 11:11451–11458
Chemistry
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Zaccaria F, Zuccaccia C, Macchioni A (2021) Hemi-metallocene Ti(IV) η3-allyl-type complexes: Structure, dynamics in solution and exploration of reactivity. Inorganica Chimica Acta 527:120565
Chemistry
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Zhu N, Hu X, Fang Z, Guo K (2021) Chemoselective Polymerizations. Progress in Polymer Science 117:101397
Chemistry
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39 publications
2020
Alexander JR, Packard MH, Hildebrandt AM, Ott AA, Topczewski JJ (2020) Divergent Mechanisms of the Banert Cascade with Propargyl Azides. Journal of Organic Chemistry 85:3174–3181
Chemistry
Link
Artús Suàrez L, Jayarathne U, Balcells D, Bernskoetter WH, Hazari N, Jaraíz M, Nova A (2020) Rational selection of co-catalysts for the deaminative hydrogenation of amides. Chemical Science 11:2225–2230
Chemistry
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Bourouina A, Oswald A, Lido V, Dong L, Rataboul F, Djakovitch L, de Bellefon C, Meille V (2020) Kinetic Study of the Herrmann–Beller Palladacycle-Catalyzed Suzuki–Miyaura Coupling of 4-Iodoacetophenone and Phenylboronic Acid. Catalysts 10:989
Chemistry
Link
Cabré A, Rafael S, Sciortino G, Ujaque G, Verdaguer X, Lledós A, Riera A (2020) Catalytic Regioselective Isomerization of 2,2-Disubstituted Oxetanes to Homoallylic Alcohols. Angewandte Chemie International Edition 59:7521–7527
Chemistry
Link
Dooley III CJ, Burtea A, Mitilian C, Dao WT, Qu B, Salzameda NT, Rychnovsky SD (2020) Using the Competing Enantioselective Conversion Method to Assign the Absolute Configuration of Cyclic Amines with Bode’s Acylation Reagents. Journal of Organic Chemistry 85:10750–10759
Chemistry
Link
Eastwood JB, Hammarback LA, McRobie MT, Clark IP, Towrie M, Fairlamb IJS, Lynam JM (2020) Time-resolved infra-red spectroscopy reveals competitive water and dinitrogen coordination to a manganese(I) carbonyl complex. Dalton Transactions 49:5463–5470
Chemistry
Link
Finke RG, Watzky MA, Whitehead CB (2020) Response to “Particle Size Is a Primary Determinant for Sigmoidal Kinetics of Nanoparticle Formation: A ‘Disproof’ of the Finke–Watzky (F-W) Nanoparticle Nucleation and Growth Mechanism”. Chemistry of Materials 32:3657–3672
Chemistry
Materials Science
Link
Foth PJ, Malig TC, Yu H, Bolduc TG, Hein JE, Sammis GM (2020) Halide-Accelerated Acyl Fluoride Formation Using Sulfuryl Fluoride. Organic Letters 22:6682–6686
Chemistry
Link
Frühwirt P, Kregar A, Törring JT, Katrašnik T, Gescheidt G (2020) Holistic approach to chemical degradation of Nafion membranes in fuel cells: modelling and predictions. Physical Chemistry Chemical Physics 22:5647–5666
Chemistry
Link
Gallego AM, Peñas de Frutos MN, Marcos-Ayuso G, Martin-Alvarez JM, Martínez-Ilarduya JM, Espinet P (2020) Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling. Dalton Transactions 49:11336–11345
Chemistry
Link
Gutterød ES, Pulumati SH, Kaur G, Lazzarini A, Solemsli BG, Gunnæs AE, Ahoba-Sam C, Kalyva ME, Sannes JA, Svelle S, Skúlason E, Nova A, Olsbye U (2020) Influence of Defects and H2O on the Hydrogenation of CO2 to Methanol over Pt Nanoparticles in UiO-67 Metal-Organic Framework. Journal of the American Chemical Society 142:17105–17118
Chemistry
Link
Handwerk DR, Shipman PD, Özkar S, Finke RG (2020) Dust Effects on Ir(0)n Nanoparticle Formation Nucleation and Growth Kinetics and Particle Size-Distributions: Analysis by and Insights from Mechanism-Enabled Population Balance Modeling. Langmuir 36:1496–1506
Chemistry
Materials Science
Link
Jones SM, Heppner DE, Vu K, Kosman DJ, Solomon EI (2020) Rapid Decay of the Native Intermediate in the Metallooxidase Fet3p Enables Controlled FeII Oxidation for Efficient Metabolism. Journal of the American Chemical Society 142:10087–10101
Chemistry
Link
Malig TC, Tan Y, Wisniewski SR, Higman CS, Carrasquillo-Flores R, Ortiz A, Purdum GE, Kolotuchin S, Hein JE (2020) Development of a telescoped synthesis of 4-(1H)-cyanoimidazole core accelerated by orthogonal reaction monitoring. Reaction Chemistry & Engineering 5:1421–1428
Chemistry
Laboratory Method
Link
Maquilón C, Limburg B, Laserna V, Garay-Ruiz D, González-Fabra J, Bo C, Martínez Belmonte M, Escudero-Adán EC, Kleij AW (2020) Effect of an Al(III) Complex on the Regio- and Stereoisomeric Formation of Bicyclic Organic Carbonates. Organometallics 39:1642–1651
Chemistry
Link
Martin DJ, Wise CF, Pegis ML, Mayer JM (2020) Developing Scaling Relationships for Molecular Electrocatalysis through Studies of Fe-Porphyrin-Catalyzed O2 Reduction. Accounts of Chemical Research 53:1056–1065
Chemistry
Link
Panigrahi A, Whitaker D, Vitorica-Yrezabal IJ, Larrosa I (2020) Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides. ACS Catalysis 10:2100–2107
Chemistry
Link
Peñas de Frutos MN (2020) Combining modern tools in the study of physical properties, reaction processes and mechanisms. Ph.D. Thesis, Universidad de Valladolid, Spain
Chemistry
Link
Potter ME, Armstrong L-M, Carravetta M, Mezza TM, Raja R (2020) Designing Multi-Dopant Species in Microporous Architectures to Probe Reaction Pathways in Solid-Acid Catalysis. Frontiers in Chemistry 8:171
Chemistry
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Ribó JM, Hochberg D (2020) Spontaneous mirror symmetry breaking: an entropy production survey of the racemate instability and the emergence of stable scalemic stationary states. Physical Chemistry Chemical Physics 22:14013–14025
Chemistry
Theory
Link
Sanders JN, Jun H, Yu RA, Gleason JL, Houk KN (2020) Mechanism of an Organocatalytic Cope Rearrangement Involving Iminium Intermediates: Elucidating the Role of Catalyst Ring Size. Journal of the American Chemical Society 142:16877–16886
Chemistry
Link
Schluschaß B (2020) N2 Splitting and Functionalization in the Coordination Sphere of Tungsten. Ph.D. Thesis, Georg-August University Göttingen, Germany.
Chemistry
Link
Septian A, Shin WS (2020) Slow-release persulfate candle-assisted electrochemical oxidation of 2-methylnaphthalene: Effects of chloride, sulfate, and bicarbonate. Journal of Hazardous Materials 400:123196
Chemistry
Link
Solís RR, Rivas FJ, Chávez AM, Dionysiou DD (2020) Peroxymonosulfate/solar radiation process for the removal of aqueous microcontaminants. Kinetic modeling, influence of variables and matrix constituents. Journal of Hazardous Materials 400:123118
Chemistry
Link
Sotorríos L (2020) Computational Methods Applied to Transition Metal Catalysis and Pericyclic Reactions. Ph.D. Thesis, Universidad del Pais Vasco, Spain.
Chemistry
Link
Stanbury DM (2020) Mechanisms of Advanced Oxidation Processes, the Principle of Detailed Balancing, and Specifics of the UV/Chloramine Process. Environmental Science & Technology 54:4658–4663
Chemistry
Environmental Sciences
Link
Townrow OPE, Chung C, Macgregor SA, Weller AS, Goicoechea JM (2020) A Neutral Heteroatomic Zintl Cluster for the Catalytic Hydrogenation of Cyclic Alkenes. Journal of the American Chemical Society 142:18330–18335
Chemistry
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Tsamba L, Cimetière N, Wolbert D, Correc O, Le Cloirec P (2020) Body fluid analog chlorination: Application to the determination of disinfection byproduct formation kinetics in swimming pool water. Journal of Environmental Sciences 87:112–122
Chemistry
Environmental Sciences
Link
Yang J, Postils V, Lipschutz MI, Fasulo M, Raynaud C, Clot E, Eisenstein O, Tilley TD (2020) Efficient Alkene Hydrosilation with Bis(8-quinolyl)phosphine (NPN) Nickel Catalysts. The Dominant Role of Silyl- over Hydrido-Nickel Catalytic Intermediates. Chemical Science 11:5043–5051
Chemistry
Link
29 publications
2019
Bakewell C, White AJP, Crimmin MR (2019) Reversible alkene binding and allylic C-H activation with an aluminium(i) complex. Chemical Science 10:2452–2458
Chemistry
Link
Belli RG, Wu Y, Ji H, Joshi A, Yunker LP, McIndoe JS, Rosenberg L (2019) Competitive Ligand Exchange and Dissociation in Ru Indenyl Complexes. Inorganic Chemistry 58:747–755
Chemistry
Link
Bockisch C, Lorance ED, Shaver G, Williams LB, Hartnett HE, Shock EL, Gould IR (2019) Selective hydrothermal reductions using geomimicry. Green Chemistry 21:4159–4168
Chemistry
Link
Bollu A, Sharma NK (2019) Cleavable Amide Bond: Mechanistic Insight into Cleavable 4-Aminopyrazolyloxy Acetamide at Low pH. Journal of Organic Chemistry 84:5596–5602
Chemistry
Link
Diccianni JB, Katigbak J, Hu C, Diao T (2019) Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction. Journal of the American Chemical Society 141:1788–1796
Chemistry
Link
Dietz M, Johnson A, Martínez-Martínez AJ, Weller AS (2019) The [Rh(Xantphos)]+ catalyzed hydroboration of diphenylacetylene using trimethylamine-borane. Inorganica Chimica Acta 491:9–13
Chemistry
Link
Escala DM, Muñuzuri AP (2019) Interface Fingering Instability Triggered by a Density-Coupled Oscillatory Chemical Reaction via Precipitation. Langmuir 35:13769–13781
Chemistry
Link
Fecteau KM, Gould IR, Glein CR, Williams LB, Hartnett HE, Shock EL (2019) Production of Carboxylic Acids from Aldehydes under Hydrothermal Conditions: A Kinetics Study of Benzaldehyde. ACS Earth and Space Chemistry 3:170–191
Chemistry
Link
Fedorova GF, Lapina VA, Menshov VA, Naumov VV, Trofimov AV, Tsaplev YB, Vasil’ev RF, Yablonskaya OI (2019) Updating the Chemiluminescence Oxygen-Aftereffect Method for Determining the Rate Constant of the Peroxy-Radical Self-Reaction: Oxidation of Cyclohexene. Photochemistry and Photobiology 95:780–786
Chemistry
Link
Green K-A, Hoover JM (2019) Intermediacy of Copper(I) under Oxidative Conditions in the Aerobic Copper-Catalyzed Decarboxylative Thiolation of Benzoic Acids. ACS Catalysis 10:1769–1782
Chemistry
Link
Kennedy CR, Zhong H, Macaulay RL, Chirik PJ (2019) Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes. Journal of the American Chemical Society 141:8557–8573
Chemistry
Link
Leischner T, Suarez LA, Spannenberg A, Junge K, Nova A, Beller M (2019) Highly selective hydrogenation of amides catalysed by a molybdenum pincer complex: scope and mechanism. Chemical Science 10:10566–10576
Chemistry
Link
Mandal M, Luke AM, Dereli B, Elwell CE, Reineke TM, Tolman WB, Cramer CJ (2019) Computational Prediction and Experimental Verification of ε-Caprolactone Ring-Opening Polymerization Activity by an Aluminum Complex of an Indolide/Schiff-Base Ligand. ACS Catalysis 9:885–889
Chemistry
Link
Mandal SC, Rawat KS, Nandi S, Pathak B (2019) Theoretical insights into CO 2 hydrogenation to methanol by a Mn–PNP complex. Catalysis Science & Technology 9:1867–1878
Chemistry
Link
McKay AI, Bukvic AJ, Tegner BE, Burnage AL, Martínez-Martínez AJ, Rees NH, Macgregor SA, Weller AS (2019) Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes. Journal of the American Chemical Society 141:11700–11712
Chemistry
Link
Molleti N, Martinez-Erro S, Carretero Cerdán A, Sanz-Marco A, Gómez-Bengoa E, Martín-Matute B (2019) Base-Catalyzed [1,n]-Proton Shifts in Conjugated Polyenyl Alcohols and Ethers. ACS Catalysis 9:9134–9139
Chemistry
Link
Nielsen CD-T, Mooij WJ, Sale D, Rzepa HS, Burés J, Spivey AC (2019) Reversibility and reactivity in an acid catalyzed cyclocondensation to give furanochromanes - a reaction at the “oxonium-Prins” vs. “ortho-quinone methide cycloaddition” mechanistic nexus. Chemical Science 10:406–412
Chemistry
Link
Özkar S, Finke RG (2019) Nanoparticle Formation Kinetics and Mechanistic Studies Important to Mechanism-Based Particle-Size Control: Evidence for Ligand-Based Slowing of the Autocatalytic Surface Growth Step Plus Postulated Mechanisms. Journal of Physical Chemistry 123:14047–14057
Chemistry
Link
Pallu J, Rabin C, Creste G, Branca M, Mavré F, Limoges B (2019) Exponential Molecular Amplification by H2O2-Mediated Autocatalytic Deprotection of Boronic Ester Probes to Redox Cyclers. Chemistry 25:7534–7546
Chemistry
Link
Pegis ML, Martin DJ, Wise CF, Brezny AC, Johnson SI, Johnson LE, Kumar N, Raugei S, Mayer JM (2019) Mechanism of Catalytic O2 Reduction by Iron Tetraphenylporphyrin. Journal of the American Chemical Society 141:8315–8326
Chemistry
Link
Peñas de Frutos MN, Bartolomé C, García-Melchor M, Espinet P (2019) RhIAr/AuIAr′ Transmetalation: A Case of Group Exchange Pivoting on the Formation of M−M′ Bonds through Oxidative Insertion. Angewandte Chemie 131:3539–3543
Chemistry
Link
Rawat KS, Mandal SC, Bhauriyal P, Garg P, Pathak B (2019) Catalytic upgrading of ethanol to n-butanol using an aliphatic Mn–PNP complex: theoretical insights into reaction mechanisms and product selectivity. Catalysis Science & Technology 9:2794–2805
Chemistry
Link
Robinson KJ, Gould IR, Fecteau KM, Hartnett HE, Williams LB, Shock EL (2019) Deamination reaction mechanisms of protonated amines under hydrothermal conditions. Geochimica et Cosmochimica Acta 244:113–128
Chemistry
Link
Rogers JA, Popp BV (2019) Operando Infrared Spectroscopy Study of Iron-Catalyzed Hydromagnesiation of Styrene: Explanation of Nonlinear Catalyst and Inhibitory Substrate Dependencies. Organometallics 38:4533–4538
Chemistry
Link
Smith NE, Bernskoetter WH, Hazari N (2019) The Role of Proton Shuttles in the Reversible Activation of Hydrogen via Metal-Ligand Cooperation. Journal of the American Chemical Society 141:17350–17360
Chemistry
Link
Sotorríos L, Demertzidou VP, Zografos AL, Gómez-Bengoa E (2019) DFT studies on metal-catalyzed cycloisomerization of trans -1,5-enynes to cyclopropane sesquiterpenoids. Organic & Biomolecular Chemistry 17:5112–5120
Chemistry
Link
Stanbury DM, Harshman J (2019) Large-Scale Models of Radiation Chemistry and the Principle of Detailed Balancing. Journal of Physical Chemistry 123:10240–10245
Chemistry
Computational Method
Link
Taran O, Patel V, Lynn DG (2019) Small molecule reaction networks that model the ROS dynamics of the rhizosphere. Chemical Communications 55:3602–3605
Chemistry
Link
Whitehead CB, Finke RG (2019) Nucleation Kinetics and Molecular Mechanism in Transition-Metal Nanoparticle Formation: The Intriguing, Informative Case of a Bimetallic Precursor, {[(1,5-COD)IrI·HPO4]2}2–. Chemistry of Materials 31:2848–2862
Chemistry
Link
Yeung HH-M, Sapnik AF, Massingberd‐Mundy F, Gaultois MW, Wu Y, Fraser DAX, Henke S, Pallach R, Heidenreich N, Magdysyuk OV, Vo NT, Goodwin AL (2019) Control of Metal–Organic Framework Crystallization by Metastable Intermediate Pre-equilibrium Species. Angewandte Chemie International Edition 58:566–571
Chemistry
Link
30 publications
2018
Artús Suàrez L, Culakova Z, Balcells D, Bernskoetter WH, Eisenstein O, Goldberg KI, Hazari N, Tilset M, Nova A (2018) The Key Role of the Hemiaminal Intermediate in the Iron-Catalyzed Deaminative Hydrogenation of Amides. ACS Catalysis 8:8751–8762
Chemistry
Link
Baschieri A, Valgimigli L, Gabbanini S, DiLabio GA, Romero-Montalvo E, Amorati R (2018) Extremely Fast Hydrogen Atom Transfer between Nitroxides and HOO· Radicals and Implication for Catalytic Coantioxidant Systems. Journal of the American Chemical Society 140:10354–10362
Chemistry
Link
Bockisch C, Lorance ED, Hartnett HE, Shock EL, Gould IR (2018) Kinetics and Mechanisms of Dehydration of Secondary Alcohols Under Hydrothermal Conditions. ACS Earth and Space Chemistry 2:821–832
Chemistry
Link
Burford RJ, Castro L, Maron L, Hein JE, Fryzuk MD (2018) Dinitrogen functionalization at a ditantalum center. Balancing N 2 displacement and N 2 functionalization in the reaction of coordinated N 2 with CS 2. Dalton Transactions 47:7983–7991
Chemistry
Link
Chen C, Bai Z, Cui Y, Cong Y, Pan X, Wu J (2018) ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide. Macromolecules 51:6800–6809
Chemistry
Link
Eibel A, Fast DE, Gescheidt G (2018) Choosing the ideal photoinitiator for free radical photopolymerizations: predictions based on simulations using established data. Polymer Chemistry 9:5107–5115
Chemistry
Link
Földes T (2018) Computational Mechanistic Studies on Organocatalytic Addition Reactions. Ph.D. Thesis, Eötvös Loránd University, Hungary.
Chemistry
Link
Gagnon J-S, Hochberg D, Pérez-Mercader J (2018) Selection and control of pathways by using externally adjustable noise on a stochastic cubic autocatalytic chemical system. Physical Review E 98:062216
Chemistry
Link
Gao Y (2018) Functionalization of alkanes and other hydrocarbons by high-oxidation state iridium: catalyst design and mechanistic study. Ph.D. Thesis, Rutgers University, New Jersey, USA
Chemistry
Link
Griesser M, Shah R, Van Kessel AT, Zilka O, Haidasz EA, Pratt DA (2018) The Catalytic Reaction of Nitroxides with Peroxyl Radicals and Its Relevance to Their Cytoprotective Properties. Journal of the American Chemical Society 140:3798–3808
Chemistry
Link
Hill DE, Pei Q, Zhang E, Gage JR, Yu J-Q, Blackmond DG (2018) A General Protocol for Addressing Speciation of the Active Catalyst Applied to Ligand-Accelerated Enantioselective C(sp3)–H Bond Arylation. ACS Catalysis 8:1528–1531
Chemistry
Link
Johnson HC, Cueny ES, Landis CR (2018) Chain Transfer with Dialkyl Zinc During Hafnium–Pyridyl Amido-Catalyzed Polymerization of 1-Octene: Relative Rates, Reversibility, and Kinetic Models. ACS Catalysis 8:4178–4188
Chemistry
Link
Kim C, Ahn J-Y, Kim TY, Shin WS, Hwang I (2018) Activation of Persulfate by Nanosized Zero-Valent Iron (NZVI): Mechanisms and Transformation Products of NZVI. Environmental Science & Technology 52:3625–3633
Chemistry
Environmental Sciences
Link
Lease N, Pelczar EM, Zhou T, Malakar S, Emge TJ, Hasanayn F, Krogh-Jespersen K, Goldman AS (2018) PNP-Pincer Complexes of Osmium: Comparison with Isoelectronic (PCP) Ir and (PNP) Ir+ Units. Organometallics 37:314–326
Chemistry
Link
Liang Q, Salmon A, Kim PJ, Yan L, Song D (2018) Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals. Journal of the American Chemical Society 140:1263–1266
Chemistry
Link
Lutjen AB, Quirk MA, Barbera AM, Kolonko EM (2018) Synthesis of (E)-cinnamyl ester derivatives via a greener Steglich esterification. Bioorganic & Medicinal Chemistry 26:5291–5298
Chemistry
Link
Macaranas JA, Luke AM, Mandal M, Neisen BD, Marell DJ, Cramer CJ, Tolman WB (2018) Sterically Induced Ligand Framework Distortion Effects on Catalytic Cyclic Ester Polymerizations. Inorganic Chemistry 57:3451–3457
Chemistry
Link
Potter ME, Armstrong L-M, Raja R (2018) Combining catalysis and computational fluid dynamics towards improved process design for ethanol dehydration. Catalysis Science & Technology 8:6163–6172
Chemistry
Link
Wang M, Park C, Woehl TJ (2018) Quantifying the Nucleation and Growth Kinetics of Electron Beam Nanochemistry with Liquid Cell Scanning Transmission Electron Microscopy. Chemistry of Materials 30:7727–7736
Chemistry
Link
Wei D, Sadek O, Dorcet V, Roisnel T, Darcel C, Gras E, Clot E, Sortais J-B (2018) Selective mono N-methylation of anilines with methanol catalyzed by rhenium complexes: An experimental and theoretical study. Journal of Catalysis 366:300–309
Chemistry
Link
Wiebe HA (2018) Mechanistic applications of volume profiles for chemical and biochemical processes. Ph.D. Thesis, Simon Fraser University, Canada
Chemistry
Link
Yu Y, Rebek Jr J (2018) Reactions of Folded Molecules in Water. Accounts of Chemical Research 51:3031–3040
Chemistry
Link
22 publications
2017
Aullón G, Crespo M, Jover J, Martínez M (2017) Diarylplatinum (II) Scaffolds for Kinetic and Mechanistic Studies on the Formation of Platinacycles via an Oxidative Addition/Reductive Elimination/Oxidative Addition Sequence. Advances in Inorganic Chemistry 70:195–242
Chemistry
Link
Brezny AC, Landis CR (2017) Unexpected CO Dependencies, Catalyst Speciation, and Single-Turnover Hydrogenolysis Studies of Hydroformylation via High Pressure NMR Spectroscopy. Journal of the American Chemical Society 139:2778–2785
Chemistry
Link
Chung R, Hein JE (2017) The More, The Better: Simultaneous In Situ Reaction Monitoring Provides Rapid Mechanistic and Kinetic Insight. Topics in Catalysis 60:594–608
Chemistry
Laboratory Method
Link
Colletto C, Whitaker D, Larrosa I (2017) Determination of 2H KIEs from Competition Experiments: Increased Accuracy via Isotopic Enrichment. Topics in Catalysis 60:589–593
Chemistry
Laboratory Method
Link
Dunn AL, Landis CR (2017) Progress toward reaction monitoring at variable temperatures: a new stopped-flow NMR probe design. Magnetic Resonance in Chemistry 55:329–336
Chemistry
Link
Dunn AL, Landis CR (2017) Stopped-Flow NMR and Quantitative GPC Reveal Unexpected Complexities for the Mechanism of NHC-Catalyzed Lactide Polymerization. Macromolecules 50:2267–2275
Chemistry
Link
Fieser ME, Sanford MJ, Mitchell LA, Dunbar CR, Mandal M, Van Zee NJ, Urness DM, Cramer CJ, Coates GW, Tolman WB (2017) Mechanistic Insights into the Alternating Copolymerization of Epoxides and Cyclic Anhydrides Using a (Salph) AlCl and Iminium Salt Catalytic System. Journal of the American Chemical Society 139:15222–15231
Chemistry
Link
Finney EE, Finke RG (2017) Catalyst Sintering Kinetics Data: Is There a Minimal Chemical Mechanism Underlying Kinetics Previously Fit by Empirical Power-Law Expressions—and if So, What Are Its Implications? Industrial & Engineering Chemistry Research 56:10271–10286
Chemistry
Link
Földes T, Madarász Á, Révész Á, Dobi Z, Varga S, Hamza A, Nagy PR, Pihko PM, Pápai I (2017) Stereocontrol in Diphenylprolinol Silyl Ether Catalyzed Michael Additions: Steric Shielding or Curtin–Hammett Scenario? Journal of the American Chemical Society 139:17052–17063
Chemistry
Link
Funes-Ardoiz I, Nelson DJ, Maseras F (2017) Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni (PMenPh (3-n)) 4]. Chemistry 23:16728–16733
Chemistry
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Gao Y, Guan C, Zhou M, Kumar A, Emge TJ, Wright AM, Goldberg KI, Krogh-Jespersen K, Goldman AS (2017) β-Hydride Elimination and C–H Activation by an Iridium Acetate Complex, Catalyzed by Lewis Acids. Alkane Dehydrogenation Cocatalyzed by Lewis Acids and [2, 6-Bis (4, 4-dimethyloxazolinyl)-3, 5-dimethylphenyl] iridium. Journal of the American Chemical Society 139:6338–6350
Chemistry
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Gil-Lozano C, Davila AF, Losa-Adams E, Fairen AG, Gago-Duport L (2017) Quantifying Fenton reaction pathways driven by self-generated H2O2 on pyrite surfaces. Scientific Reports 7:43703
Chemistry
Link
Hill DE, Bay KL, Yang Y-F, Plata RE, Takise R, Houk KN, Yu J-Q, Blackmond DG (2017) Dynamic Ligand Exchange as a Mechanistic Probe in Pd-Catalyzed Enantioselective C–H Functionalization Reactions Using Monoprotected Amino Acid Ligands. Journal of the American Chemical Society 139:18500–18503
Chemistry
Link
Hochberg D, García RDB, Bastidas JAÁ, Ribó JM (2017) Stoichiometric network analysis of spontaneous mirror symmetry breaking in chemical reactions. Physical Chemistry Chemical Physics 19:17618–17636
Chemistry
Link
Jaraíz M, Enríquez L, Pinacho R, Rubio JE, Lesarri A, López-Pérez JL (2017) A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene. Journal of Organic Chemistry 82:3760–3766
Chemistry
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Jover J (2017) Quantitative DFT modeling of product concentration in organometallic reactions: Cu-mediated pentafluoroethylation of benzoic acid chlorides as a case study. Physical Chemistry Chemical Physics 19:29344–29353
Chemistry
Link
Kalek M, Himo F (2017) Mechanism and Selectivity of Cooperatively Catalyzed Meyer–Schuster Rearrangement/Tsuji-Trost Allylic Substitution. Evaluation of Synergistic Catalysis by Means of Combined DFT and Kinetics Simulations. Journal of the American Chemical Society 139:10250–10266
Chemistry
Link
Shrivastava N, Macwan AS, Kohler H-PE, Kumar A (2017) Important amino acid residues of hexachlorocyclohexane dehydrochlorinases (LinA) for enantioselective transformation of hexachlorocyclohexane isomers. Biodegradation 28:171–180
Chemistry
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Stasiw DE, Luke AM, Rosen T, League AB, Mandal M, Neisen BD, Cramer CJ, Kol M, Tolman WB (2017) Mechanism of the Polymerization of rac-Lactide by Fast Zinc Alkoxide Catalysts. Inorganic Chemistry 56:14366–14372
Chemistry
Link
Stasiw DE, Mandal M, Neisen BD, Mitchell LA, Cramer CJ, Tolman WB (2017) Why So Slow? Mechanistic Insights from Studies of a Poor Catalyst for Polymerization of ε-Caprolactone. Inorganic Chemistry 56:725–728
Chemistry
Link
Torbensen K, Ristori S, Rossi F, Abou-Hassan A (2017) Tuning the Chemical Communication of Oscillating Microdroplets by Means of Membrane Composition. Journal of Physical Chemistry 121:13256–13264
Chemistry
Biophysics
Link
Wagner AJ, Zubarev DY, Aspuru-Guzik A, Blackmond DG (2017) Chiral Sugars Drive Enantioenrichment in Prebiotic Amino Acid Synthesis. ACS Central Science 3:322–328
Chemistry
Link
Wei D, Roisnel T, Darcel C, Clot E, Sortais J-B (2017) Hydrogenation of Carbonyl Derivatives with a Well-Defined Rhenium Precatalyst. ChemCatChem 9:80–83
Chemistry
Link
Wong ASY, Huck WTS (2017) Grip on complexity in chemical reaction networks. Beilstein Journal of Organic Chemistry 13:1486–1497
Chemistry
Theory
Link
24 publications
2016
Barbon A, Bortolus M, Isse AA, Reznikov VA, Weiner L (2016) Electron transfer in pH-sensitive nitroxide radicals. Chemical Physics Letters 665:137–140
Chemistry
Link
Burés J (2016) A Simple Graphical Method to Determine the Order in Catalyst. Angewandte Chemie 55:2028-31
Chemistry
Link
Claudino M, Zhang X, Alim MD, Podgórski M, Bowman CN (2016) Mechanistic Kinetic Modeling of Thiol–Michael Addition Photopolymerizations via Photocaged “Superbase” Generators: An Analytical Approach. Macromolecules 49:8061–8074
Chemistry
Link
Coletta C (2016) Study of growth mechanism of conducting polymers by pulse radiolysis. Ph.D. Thesis, Université Paris Saclay, France
Chemistry
Link
Compel WS (2016) The use of coordinating solvents in gold cluster synthesis. Ph.D. Thesis, Colorado State University, USA.
Chemistry
Link
del Pozo J, Salas G, Álvarez R, Casares JA, Espinet P (2016) The Negishi Catalysis: Full Study of the Complications in the Transmetalation Step and Consequences for the Coupling Products. Organometallics 35:3604–3611
Chemistry
Link
Froese RD, Whiteker GT, Peterson TH, Arriola DJ, Renga JM, Shearer JW (2016) Computational and Experimental Studies of Regioselective SNAr Halide Exchange (Halex) Reactions of Pentachloropyridine. Journal of Organic Chemistry 81:10672–10682
Chemistry
Link
Furrow SD, Cervellati R, Greco E (2016) Study of the transition to higher iodide in the malonic acid Briggs–Rauscher oscillator. Reaction Kinetics, Mechanisms and Catalysis 118:59–71
Chemistry
Link
Laviska DA, Zhou T, Kumar A, Emge TJ, Krogh-Jespersen K, Goldman AS (2016) Single and Double C–H Activation of Biphenyl or Phenanthrene. An Example of C–H Addition to Ir(III) More Facile than Addition to Ir(I). Organometallics 35:1613–1623
Chemistry
Link
Levin MD, Kaphan DM, Hong CM, Bergman RG, Raymond KN, Toste FD (2016) Scope and Mechanism of Cooperativity at the Intersection of Organometallic and Supramolecular Catalysis. Journal of the American Chemical Society 138:9682–9693
Enzymology
Chemistry
Link
Marlier EE, Macaranas JA, Marell DJ, Dunbar CR, Johnson MA, DePorre Y, Miranda MO, Neisen BD, Cramer CJ, Hillmyer MA, Tolman WB (2016) Mechanistic Studies of ε-Caprolactone Polymerization by (salen)AlOR Complexes and a Predictive Model for Cyclic Ester Polymerizations. ACS Catalysis 6:1215–1224
Chemistry
Link
Özkar S, Finke RG (2016) Palladium(0) Nanoparticle Formation, Stabilization, and Mechanistic Studies: Pd(acac) 2 as a Preferred Precursor, [Bu 4 N] 2 HPO 4 Stabilizer, plus the Stoichiometry, Kinetics, and Minimal, Four-Step Mechanism of the Palladium Nanoparticle Formation and Subsequent Agglomeration Reactions. Langmuir 32:3699–3716
Chemistry
Link
Rocchigiani L, Busico V, Pastore A, Macchioni A (2016) Comparative NMR Study on the Reactions of Hf(IV) Organometallic Complexes with Al/Zn Alkyls. Organometallics 35:1241–1250
Chemistry
Link
Semenov SN, Kraft LJ, Ainla A, Zhao M, Baghbanzadeh M, Campbell VE, Kang K, Fox JM, Whitesides GM (2016) Autocatalytic, bistable, oscillatory networks of biologically relevant organic reactions. Nature 537:656–660
Chemistry
Biochemistry
Link
Shi Q, Mower MP, Blackmond DG, Rebek Jr J (2016) Water-soluble cavitands promote hydrolyses of long-chain diesters. Proceedings of the National Academy of Sciences USA 113:9199–9203
Chemistry
Link
Sung S, Sale D, Braddock DC, Armstrong A, Brennan C, Davies RP (2016) Mechanistic Studies on the Copper-Catalyzed N-Arylation of Alkylamines Promoted by Organic Soluble Ionic Bases. ACS Catalysis 6:3965–74
Chemistry
Link
Tootoonchi MH, Sharma G, Calles J, Prabhakar R, Kaifer AE (2016) Cooperative Self-Assembly of a Quaternary Complex Formed by Two Cucurbit [7] uril Hosts, Cyclobis (paraquat-p-phenylene), and a “Designer” Guest. Angewandte Chemie 128:11679–83
Chemistry
Link
Xu H, Diccianni JB, Katigbak J, Hu C, Zhang Y, Diao T (2016) Bimetallic C–C Bond-Forming Reductive Elimination from Nickel. Journal of the American Chemical Society 138:4779–4786
Chemistry
Link
18 publications
2015
Abdallah P, Deborde M, Dossier-Berne F, Karpel Vel Leitner N (2015) Kinetics of Chlorination of Benzophenone-3 in the Presence of Bromide and Ammonia. Environmental Science & Technology 49:14359–14367
Environmental Sciences
Chemistry
Link
Aullón G, Crespo M, Font-Bardia M, Jover J, Martínez M, Pike J (2015) A combined kinetico-mechanistic and computational study on the competitive formation of seven- versus five-membered platinacycles; the relevance of spectator halide ligands. Dalton Transactions 44:17968-79
Chemistry
Link
Azizi M, Biard P-F, Couvert A, Ben Amor M (2015) Competitive kinetics study of sulfide oxidation by chlorine using sulfite as reference compound. Chemical Engineering Research and Design 94:141–152
Chemistry
Link
Compel WS, Wong OA, Chen X, Yi C, Geiss R, Häkkinen H, Knappenberger KL Jr, Ackerson CJ (2015) Dynamic Diglyme-Mediated Self-Assembly of Gold Nanoclusters. ACS Nano 9:11690-8.
Chemistry
Link
della Sala F, Kay ER (2015) Reversible Control of Nanoparticle Functionalization and Physicochemical Properties by Dynamic Covalent Exchange. Angewandte Chemie 127:4261-5
Chemistry
Link
Hristova-Neeley D, Neshchadin D, Gescheidt G (2015) Time-Resolved EPR as a Tool to Investigate Oxygen Quenching in Photoinitiated Radical Polymerizations. Journal of Physical Chemistry 119:13883-7
Chemistry
Link
Jeong H, John JM, Schrock RR (2015) Formation of Alternating trans-A-alt-B Copolymers through Ring-Opening Metathesis Polymerization Initiated by Molybdenum Imido Alkylidene Complexes. Organometallics 34:5136–5145
Chemistry
Link
Jeong H, John JM, Schrock RR, Hoveyda AH (2015) Synthesis of Alternating trans-AB Copolymers through Ring-Opening Metathesis Polymerization Initiated by Molybdenum Alkylidenes. Journal of the American Chemical Society 137:2239-42
Chemistry
Link
Ji Y, Benkovics T, Beutner GL, Sfouggatakis C, Eastgate MD, Blackmond DG (2015) Mechanistic Insights into the Vanadium-Catalyzed Achmatowicz Rearrangement of Furfurol. Journal of Organic Chemistry 80:1696-1702
Chemistry
Link
Laurell Nash A, Hertzberg R, Wen YQ, Dahlgren B, Brinck T, Moberg C (2015) Dual Lewis Acid-Lewis Base Catalyzed Acylcyanation of Aldehydes: A Mechanistic Study. Chemistry 22:3821-3829
Chemistry
Link
Luo J, Theron R, Sewell LJ, Hooper TN, Weller AS, Oliver AG, McIndoe JS (2015) Rhodium-Catalyzed Selective Partial Hydrogenation of Alkynes. Organometallics 34:3021-8
Chemistry
Link
Nelsen ER, Brezny AC, Landis CR (2015) Interception and Characterization of Catalyst Species in Rhodium Bis(diazaphospholane)-Catalyzed Hydroformylation of Octene, Vinyl Acetate, Allyl Cyanide, and 1-Phenyl-1,3-butadiene. Journal of the American Chemical Society 137:14208-219
Chemistry
Link
Patschinski P (2015) Chemoselective Silylation of Alcohols Through Lewis Base-catalyzed Reactions. Experimental and Theoretical Studies. Ph.D. Thesis, Ludwig-Maximilians University of Munich, Germany
Chemistry
Link
Prieto C, González Delgado JA, Arteaga JF, Jaraíz M, López-Pérez JL, Barrero AF (2015) Homocoupling versus reduction of radicals: an experimental and theoretical study of Ti(III)-mediated deoxygenation of activated alcohols. Organic & Biomolecular Chemistry 13:3462–3469
Chemistry
Link
Sander ZH, West ZJ, Ervin JS, Zabarnick S (2015) Experimental and Modeling Studies of Heat Transfer, Fluid Dynamics, and Autoxidation Chemistry in the Jet Fuel ThermalOxidation Tester (JFTOT). Energy & Fuels 29:7036-47.
Chemistry
Chemical Engineering
Link
Torbensen K, Rossi F, Pantani OL, Ristori S, Abou-Hassan A (2015) Interaction of the Belousov-Zhabotinsky Reaction with Phospholipid Engineered Membranes. Journal of Physical Chemistry 119:10224-30
Chemistry
Link
16 publications
2014
Carrasco D, Pérez-Temprano MH, Casares JA, Espinet P (2014) Cross Alkyl-Aryl versus Homo Aryl-Aryl Coupling in Palladium-Catalyzed Coupling of Alkyl-Gold (I) and Aryl-Halide. Organometallics 33:3540-3545
Chemistry
Link
Claudino M, Jonsson M, Johansson M (2014) Utilizing thiol-ene coupling kinetics in the design of renewable thermoset resins based on D-limonene and polyfunctional thiols. RSC Advances 4:10317-10329
Chemistry
Link
Clough JM, Sijbesma RP (2014) Dioxetane scission products unchanged by mechanical force. ChemPhysChem 15:3565–3571
Chemistry
Link
Jones AX (2014) Mechanistic studies of enantioselective alkene bromolactonisation reactions. Ph.D. Thesis, Imperial College London, UK.
Chemistry
Link
Kefalidis CE, Davi M, Holstein PM, Clot E, Baudoin O (2014) Mechanistic Study of the Selectivity of Olefin versus Cyclobutene Formation by Palladium (0)-Catalyzed Intramolecular C (sp3)-H Activation. Journal of Organic Chemistry 79:11903-11910
Chemistry
Link
Kent PD, Mondloch JE, Finke RG (2014) A Four-Step Mechanism for the Formation of Supported-Nanoparticle Heterogenous Catalysts in Contact with Solution: The Conversion of Ir (1, 5-COD) Cl/gamma-Al2O3 to Ir (0) 170/gamma-Al2O3. Journal of the American Chemical Society 136:1930-41
Chemistry
Link
Luo J (2014) Mechanistic investigation of catalytic organometallic reactions using ESI MS. Ph.D. Thesis, University of Victoria, British Columbia, Canada.
Chemistry
Link
Miller AJM, Kaminsky W, Goldberg KI (2014) Arene Activation at Iridium Facilitates C-O Bond Cleavage of Aryl Ethers. Organometallics 33:1245-1252
Chemistry
Link
Rossi F, Ristori S, Marchettini N, Pantani OL (2014) Functionalized clay microparticles as catalysts for chemical oscillators. Journal of Physical Chemistry 118:24389–24396
Chemistry
Link
Valero G, Ribó JM, Moyano A (2014) A closer look at spontaneous mirror symmetry breaking in aldol reactions. Chemistry 20:17395–17408
Chemistry
Link
Valero G (2014) Estudis mecanístics i metodològics de processos d'autocatàlisi i organocatàlisi asimètriques. Ph.D. Thesis, Department of Organic Chemistry, University of Barcelona, Spain
Chemistry
Link
Vickers JW, Sumliner JM, Lv H, Morris M, Geletii YV, Hill CL (2014) Collecting meaningful early-time kinetic data in homogeneous catalytic water oxidation with a sacrificial oxidant. Physical Chemistry Chemical Physics 16:11942-11949
Chemistry
Link
12 publications
2013
Claudino M (2013) Macromolecular design: UV-curable thiol-ene networks based on renewable resources. Ph.D. Thesis, KTH Royal Institute of Technology, Stockholm, Sweden
Chemistry
Link
Claudino M, Jonsson M, Johansson M (2013) Thiol–ene coupling kinetics of d-limonene: a versatile ‘non-click’free-radical reaction involving a natural terpene. RSC Advances 3:11021–11034
Chemistry
Link
Diao T, Pun D, Stahl SS (2013) Aerobic Dehydrogenation of Cyclohexanone to Cyclohexenone Catalyzed by Pd(DMSO)2(TFA)2: Evidence for Ligand-Controlled Chemoselectivity. Journal of the American Chemical Society 135:8205-8212
Chemistry
Link
Khan HA (2013) Asymmetric Synthesis of Lactones and Lactams: Rhodium Catalysis in the Hydroacylation of Ketones and the Hydrogenation of Cyclic Dehydropeptides. Ph.D. Thesis, Department of Chemistry, University of Toronto, Canada
Chemistry
Link
Lv H, Rudd JA, Zhuk PF, Lee JY, Constable EC, Housecroft CE, Hill CL, Musaev DG, Geletii YV (2013) Bis (4'-(4-pyridyl)-2,2':6',2''-terpyridine)ruthenium (ii) complexes and their N-alkylated derivatives in catalytic light-driven water oxidation. RSC Advances 3:20647-20654
Chemistry
Link
Pun D, Diao T, Stahl SS (2013) Aerobic dehydrogenation of cyclohexanone to phenol catalyzed by Pd (TFA) 2/2-dimethylaminopyridine: Evidence for the role of Pd nanoparticles. Journal of the American Chemical Society 135:8213–8221
Chemistry
Link
Reeves BD, Hilmer JK, Mellmann L, Hartzheim M, Poffenberger K, Johnson K, Joshi N, Singel DJ, Grieco PA (2013) Selective trapping of SNO-BSA and GSNO by benzenesulfinic acid sodium salt: mechanistic study of thiosulfonate formation and feasibility as a protein S-nitrosothiol detection strategy. Tetrahedron Letters 54:5707-10
Chemistry
Link
Scheller S, Goenrich M, Thauer RK, Jaun B (2013) Methyl-coenzyme M reductase from methanogenic archaea: isotope effects on label exchange and ethane formation with the homologous substrate ethyl-coenzyme M. Journal of the American Chemical Society 135:14985-14995
Chemistry
Enzymology
Link
Sundin S, Dahlgren B, Roth O, Jonsson M (2013) H2O2 and radiation induced dissolution of UO2 and SIMFUEL in deficient aqueous solution. Journal of Nuclear Materials 443:291-297
Chemistry
Link
9 publications
2012
Biswas S, Huang Z, Choliy Y, Wang DY, Brookhart M, Krogh-Jespersen K, Goldman AS (2012) Olefin Isomerization by Iridium Pincer Catalysts. Experimental Evidence for an η 3 -Allyl Pathway and an Unconventional Mechanism Predicted by DFT Calculations. Journal of the American Chemical Society 134:13276-13295
Chemistry
Link
Burés J, Armstrong A, Blackmond DG (2012) Curtin-Hammett Paradigm for Stereocontrol in Organocatalysis by Diarylprolinol Ether Catalysts. Journal of the American Chemical Society 134:6741-6750
Chemistry
Link
Criquet J, Allard S, Salhi E, Joll CA, Heitz A, von Gunten U (2012) Iodate and Iodo-Trihalomethane Formation during Chlorination of Iodide-Containing Waters: Role of Bromide. Environmental Science & Technology 46:7350-7357
Chemistry
Environmental Sciences
Link
Ding K, Miranda MO, Moscato-Goodpaster B, Ajellal N, Breyfogle LE, Hermes ED, Schaller CP, Roe SE, Cramer CJ, Hillmyer MA, Tolman WB (2012) Roles of Monomer Binding and Alkoxide Nucleophilicity in Aluminum-Catalyzed Polymerization of ε-Caprolactone. Macromolecules 45:5387-5396
Chemistry
Link
Friedrich LC, Mendes MA, Silva VO, Zanta CLPS, Machulek Jr. A, Quina FH (2012) Mechanistic implications of zinc(II) ions on the degradation of phenol by the fenton reaction. Journal of the Brazilian Chemical Society 23:1372-1377
Chemistry
Link
Lindner C (2012) Phosphane in der Organokatalyse: experimentelle und theoretische Studien. Ph.D. Thesis, Ludwig-Maximilians University Munich, Germany.
Chemistry
Link
Micheau J-C, Coudret C, Cruz J-M, Buhse T (2012) Amplification of enantiomeric excess, mirror-image symmetry breaking and kinetic proofreading in Soai reaction models with different oligomeric orders. Physical Chemistry Chemical Physics 14:13239
Chemistry
Link
Monge ME, Rosenorn T, Favez O, Muller M, Adler G, Abo Riziq A, Rudich Y, Herrmann H, George C, D’Anna B (2012) Alternative pathway for atmospheric particles growth. Proceedings of the National Academy of Sciences USA 109:6840-6844
Chemistry
Link
Moscato BM, Zhu B, Landis CR (2012) Mechanistic Investigations into the Behavior of a Labeled Zirconocene Polymerization Catalyst. Organometallics 31:2097-2107
Chemistry
Link
Muntean N, Thuy LB, Kály-Kullai K, Wittmann M, Noszticzius Z, Onel L, Furrow SD (2012) Measurement of Hypoiodous Acid Concentration by a Novel Type Iodide Selective Electrode and a New Method To Prepare HOI. Monitoring HOI Levels in the Briggs-Rauscher Oscillatory Reaction. Journal of Physical Chemistry 116:6630-6642
Chemistry
Link
Torche F (2012) Contribution à l’étude des électrons solvatés dans l’eau et les alcools et des processus radiolytiques dans les carbonates organiques par radiolyse impulsionnelle picoseconde. Ph.D. Thesis, Université Paris Sud, France
Chemistry
Link
Zhang S (2012) Kinetic studies of the radical oxidation in gaseous phase of organic iodides and of the formation of iodine oxide particles under the simulated conditions of a nuclear reactor containment submitted to a severe accident. Ph.D. Thesis, Universite Aix‐Marseille, France
Chemistry
Environmental Sciences
Link
12 publications
