Research Output 1953 2020

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2019
2 Citations (Scopus)

Allylic azides: Synthesis, reactivity, and the Winstein rearrangement

Carlson, A. S. & Topczewski, J. J., Jan 1 2019, In : Organic and Biomolecular Chemistry. 17, 18, p. 4406-4429 24 p.

Research output: Contribution to journalReview article

Azides
azides (organic)
isomers
reactivity
synthesis

Beyond Density Functional Theory: The Multiconfigurational Approach to Model Heterogeneous Catalysis

Gaggioli, C. A., Stoneburner, S. J., Cramer, C. & Gagliardi, L., Sep 6 2019, In : ACS Catalysis. 9, 9, p. 8481-8502 22 p.

Research output: Contribution to journalReview article

Catalysis
Density functional theory
Electronic structure
Transition metals
Shells (structures)

Cardiac Muscle Membrane Stabilization in Myocardial Reperfusion Injury

Houang, E. M., Bartos, J. A., Hackel, B. J., Lodge, T. P., Yannopoulos, D., Bates, F. S. & Metzger, J. M., Apr 1 2019, In : JACC: Basic to Translational Science. 4, 2, p. 275-287 13 p.

Research output: Contribution to journalReview article

Open Access
Myocardial Reperfusion Injury
Myocardium
Membranes
Muscles
Heart Diseases

In situ measurement of pH in liquid chromatography systems using a colorimetric approach

Leme, G., Madigan, B., Eikens, J., Harmes, D. C., Richardson, D., Carr, P. W. & Stoll, D., Jan 21 2019, In : Analytical Methods. 11, 3, p. 381-386 6 p.

Research output: Contribution to journalReview article

Liquid chromatography
Ultraviolet detectors
Ion selective electrodes
Buffers
Chemical analysis
12 Citations (Scopus)

Modern applications of low-valent early transition metals in synthesis and catalysis

Beaumier, E. P., Pearce, A. J., See, X. Y. & Tonks, I., Jan 1 2019, In : Nature Reviews Chemistry. 3, 1, p. 15-34 20 p.

Research output: Contribution to journalReview article

Catalysis
Transition metals
Regioselectivity
Metals
Chemical activation
3 Citations (Scopus)

OpenMolcas: From Source Code to Insight

Fdez. Galván, I., Vacher, M., Alavi, A., Angeli, C., Aquilante, F., Autschbach, J., Bao, J. J., Bokarev, S. I., Bogdanov, N. A., Carlson, R. K., Chibotaru, L. F., Creutzberg, J., Dattani, N., Delcey, M. G., Dong, S. S., Dreuw, A., Freitag, L., Frutos, L. M., Gagliardi, L., Gendron, F. & 43 others, Giussani, A., González, L., Grell, G., Guo, M., Hoyer, C. E., Johansson, M., Keller, S., Knecht, S., Kovačević, G., Källman, E., Li Manni, G., Lundberg, M., Ma, Y., Mai, S., Malhado, J. P., Malmqvist, P. Å., Marquetand, P., Mewes, S. A., Norell, J., Olivucci, M., Oppel, M., Phung, Q. M., Pierloot, K., Plasser, F., Reiher, M., Sand, A. M., Schapiro, I., Sharma, P., Stein, C. J., Sørensen, L. K., Truhlar, D. G., Ugandi, M., Ungur, L., Valentini, A., Vancoillie, S., Veryazov, V., Weser, O., Wesołowski, T. A., Widmark, P. O., Wouters, S., Zech, A., Zobel, J. P. & Lindh, R., Jan 1 2019, (Accepted/In press) In : Journal of Chemical Theory and Computation.

Research output: Contribution to journalReview article

Wave functions
Computational chemistry
Potential energy surfaces
platforms
Dichroism

Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments

Truhlar, D. G., Hiberty, P. C., Shaik, S., Gordon, M. S. & Danovich, D., Jan 1 2019, In : Angewandte Chemie - International Edition. 58, 36, p. 12332-12338 7 p.

Research output: Contribution to journalReview article

Photoelectron spectroscopy
Ionization
Molecular orbitals
Electrons
Experiments

Quantitative Dissolution of Environmentally Accessible Iron Residing in Iron-Rich Minerals: A Review

Voelz, J. L., Johnson, N. W., Chun, C. L., Arnold, W. A. & Penn, R. L., Aug 15 2019, In : ACS Earth and Space Chemistry. 3, 8, p. 1371-1392 22 p.

Research output: Contribution to journalReview article

Minerals
dissolving
Dissolution
Iron
dissolution
24 Citations (Scopus)

Stabilization of Silver and Gold Nanoparticles: Preservation and Improvement of Plasmonic Functionalities

Kang, H., Buchman, J. T., Rodriguez, R. S., Ring, H. L., He, J., Bantz, K. C. & Haynes, C. L., Jan 9 2019, In : Chemical Reviews. 119, 1, p. 664-699 36 p.

Research output: Contribution to journalReview article

Silver
Gold
Stabilization
Nanoparticles
Metal nanoparticles
1 Citation (Scopus)

The Chatt reaction: Conventional routes to homoleptic arenemetalates of d-block elements

Ellis, J. E., Jan 1 2019, In : Dalton Transactions. 48, 26, p. 9538-9563 26 p.

Research output: Contribution to journalReview article

Anions
Alkali metal compounds
Metals
Transition metal compounds
Alkali Metals
2018
23 Citations (Scopus)

Advances in Polymer Design for Enhancing Oral Drug Solubility and Delivery

Ting, J. M., Porter, W. W., Mecca, J. M., Bates, F. S. & Reineke, T. M., Apr 18 2018, In : Bioconjugate Chemistry. 29, 4, p. 939-952 14 p.

Research output: Contribution to journalReview article

Dispersions
Solubility
Drug products
Polymers
Excipients

A new framework for X-ray photon correlation spectroscopy analysis from polycrystalline materials

Lewis, R. M., Jackson, G. L., Maher, M. J., Kim, K., Lodge, T. P., Mahanthappa, M., Narayanan, S. & Bates, F. S., Dec 1 2018, In : Review of Scientific Instruments. 89, 12, 123902.

Research output: Contribution to journalReview article

Photon correlation spectroscopy
Polycrystalline materials
X ray spectroscopy
Scattering
photons
28 Citations (Scopus)

Approaches to Sustainable and Continually Recyclable Cross-Linked Polymers

Fortman, D. J., Brutman, J. P., De Hoe, G. X., Snyder, R. L., Dichtel, W. R. & Hillmyer, M. A., Sep 4 2018, In : ACS Sustainable Chemistry and Engineering. 6, 9, p. 11145-11159 15 p.

Research output: Contribution to journalReview article

Polymers
polymer
Feedstocks
Recycling
recycling
27 Citations (Scopus)

Combining Wave Function Methods with Density Functional Theory for Excited States

Ghosh, S., Verma, P., Cramer, C., Gagliardi, L. & Truhlar, D. G., Aug 8 2018, In : Chemical Reviews. 118, 15, p. 7249-7292 44 p.

Research output: Contribution to journalReview article

Wave functions
Excited states
Density functional theory
Electronic structure
8 Citations (Scopus)

Diiron monooxygenases in natural product biosynthesis

Komor, A. J., Jasniewski, A. J., Que, L. & Lipscomb, J. D., Jul 1 2018, In : Natural Product Reports. 35, 7, p. 646-659 14 p.

Research output: Contribution to journalReview article

Biosynthesis
Mixed Function Oxygenases
Biological Products
Amines
Hydroxylation
3 Citations (Scopus)

Ferromagnetism in magnesium chloride monolayer with an unusually large spin-up gap

Bhattacharyya, G., Choudhuri, I., Bhauriyal, P., Garg, P. & Pathak, B., Dec 21 2018, In : Nanoscale. 10, 47, p. 22280-22292 13 p.

Research output: Contribution to journalReview article

Magnesium Chloride
Ferromagnetism
Magnetoelectronics
Magnesium
Monolayers
10 Citations (Scopus)

Fluorinated paramagnetic complexes: Sensitive and responsive probes for magnetic resonance spectroscopy and imaging

Peterson, K. L., Srivastava, K. & Pierre, V. C., May 1 2018, In : Frontiers in Chemistry. 6, MAY, 160.

Research output: Contribution to journalReview article

Magnetic resonance spectroscopy
Imaging techniques
Metal ions
Fluorine
Magnetic resonance
3 Citations (Scopus)

Isoprenoids and protein prenylation: implications in the pathogenesis and therapeutic intervention of Alzheimer’s disease

Jeong, A., Suazo, K. F., Wood, W. G., Distefano, M. D. & Li, L., May 4 2018, In : Critical Reviews in Biochemistry and Molecular Biology. 53, 3, p. 279-310 32 p.

Research output: Contribution to journalReview article

Open Access
Protein Prenylation
Terpenes
Alzheimer Disease
Dimethylallyltranstransferase
Proteins
4 Citations (Scopus)

Looking for the active hydrogen species in a 5 wt% Pt/C catalyst: A challenge for inelastic neutron scattering

Carosso, M., Lazzarini, A., Piovano, A., Pellegrini, R., Morandi, S., Manzoli, M., Vitillo, J. G., Ruiz, M. J., Lamberti, C. & Groppo, E., Jan 1 2018, In : Faraday Discussions. 208, p. 227-242 16 p.

Research output: Contribution to journalReview article

Inelastic neutron scattering
Hydrogen
inelastic scattering
neutron scattering
catalysts
12 Citations (Scopus)

Microfluidic methods for aptamer selection and characterization

Dembowski, S. K. & Bowser, M., Jan 7 2018, In : Analyst. 143, 1, p. 21-32 12 p.

Research output: Contribution to journalReview article

Microfluidics
Molecular recognition
Automation
Nucleic acids
nucleic acid
2 Citations (Scopus)

Probing protein-protein interactions using asymmetric labeling and carbonyl-carbon selective heteronuclear NMR spectroscopy

Larsen, E. K., Olivieri, C., Walker, C., Veliparambil Subrahmanian, M., Gao, J., Bernlohr, D. A., Tonelli, M., Markley, J. L. & Veglia, G., Jan 1 2018, In : Molecules. 23, 8, 1937.

Research output: Contribution to journalReview article

Open Access
Biomolecular Nuclear Magnetic Resonance
Labeling
Nuclear magnetic resonance spectroscopy
marking
Magnetic Resonance Spectroscopy
20 Citations (Scopus)

Recent progress in enzymatic protein labelling techniques and their applications

Zhang, Y., Park, K. Y., Suazo, K. F. & Distefano, M. D., Dec 21 2018, In : Chemical Society Reviews. 47, 24, p. 9106-9136 31 p.

Research output: Contribution to journalReview article

Labeling
Proteins
Ligases
Polymers
Bearings (structural)
43 Citations (Scopus)

The role of nanotechnology in tackling global water challenges

Mauter, M. S., Zucker, I., Perreault, F., Werber, J. R., Kim, J. H. & Elimelech, M., Apr 1 2018, In : Nature Sustainability. 1, 4, p. 166-175 10 p.

Research output: Contribution to journalReview article

nanotechnology
Nanotechnology
Water Purification
water treatment
Water treatment
17 Citations (Scopus)

Time-resolved operando studies of carbon supported Pd nanoparticles under hydrogenation reactions by X-ray diffraction and absorption

Bugaev, A. L., Usoltsev, O. A., Lazzarini, A., Lomachenko, K. A., Guda, A. A., Pellegrini, R., Carosso, M., Vitillo, J. G., Groppo, E., Van Bokhoven, J. A., Soldatov, A. V. & Lamberti, C., Jan 1 2018, In : Faraday Discussions. 208, p. 187-205 19 p.

Research output: Contribution to journalReview article

X ray absorption
Hydrogenation
hydrogenation
Palladium
Carbon
2 Citations (Scopus)

Tiny Things with Enormous Impact: Nanotechnology in the Fight Against Infectious Disease

Mitchell, S. L. & Carlson, E. E., Oct 12 2018, In : ACS Infectious Diseases. 4, 10, p. 1432-1435 4 p.

Research output: Contribution to journalReview article

Nanotechnology
Nanoparticles
Communicable Diseases
Vaccination
Technology
2 Citations (Scopus)

Toward a mechanistic understanding of plasmon-mediated photocatalysis

Brooks, J. L., Warkentin, C. L., Saha, D., Keller, E. L. & Frontiera, R. R., Nov 1 2018, In : Nanophotonics. 7, 11, p. 1697-1724 28 p.

Research output: Contribution to journalReview article

Electrochemical Techniques
Plasmons
Nanostructures
Photocatalysis
Photoexcitation
2017
3 Citations (Scopus)

A-Factor: A chemical biology tool for the study of protein prenylation

Diaz-Rodriguez, V. & Distefano, M. D., Jan 1 2017, In : Current Topics in Peptide and Protein Research. 18, p. 133-151 19 p.

Research output: Contribution to journalReview article

Protein Prenylation
Mating Factor
Pheromones
Peptides
Proteins
7 Citations (Scopus)

A review of biorefinery separations for bioproduct production via thermocatalytic processing

Nguyen, H., Dejaco, R. F., Mittal, N., Siepmann, J. I., Tsapatsis, M., Snyder, M. A., Fan, W., Saha, B. & Vlachos, D. G., Jun 7 2017, In : Annual Review of Chemical and Biomolecular Engineering. 8, p. 115-137 23 p.

Research output: Contribution to journalReview article

Processing
Biomass
Carbon
Zeolites
Adsorption
10 Citations (Scopus)

Assembly of dicobalt and cobalt-aluminum oxide clusters on metal-organic framework and nanocast silica supports

Desai, S. P., Malonzo, C. D., Webber, T., Duan, J., Thompson, A. B., Tereniak, S. J., DeStefano, M. R., Buru, C. T., Li, Z., Penn, R. L., Farha, O. K., Hupp, J. T., Stein, A. & Lu, C. C., Jan 1 2017, In : Faraday Discussions. 201, p. 287-302 16 p.

Research output: Contribution to journalReview article

cobalt oxides
Aluminum Oxide
Cobalt
Silicon Dioxide
cobalt
186 Citations (Scopus)

Copper-Oxygen Complexes Revisited: Structures, Spectroscopy, and Reactivity

Elwell, C. E., Gagnon, N. L., Neisen, B. D., Dhar, D., Spaeth, A. D., Wuu-Yee, G. & Tolman, W. B., Feb 8 2017, In : Chemical Reviews. 117, 3, p. 2059-2107 49 p.

Research output: Contribution to journalReview article

Copper
Spectroscopy
Oxygen
Computational methods
Oxidation
25 Citations (Scopus)

Covalency and chemical bonding in transition metal complexes: An ab initio based ligand field perspective

Singh, S. K., Eng, J., Atanasov, M. & Neese, F., Aug 1 2017, In : Coordination Chemistry Reviews. 344, p. 2-25 24 p.

Research output: Contribution to journalReview article

Coordination Complexes
Metal complexes
Transition metals
transition metals
Ligands
55 Citations (Scopus)
Oxidants
Iron
Chemical activation
Oxygen
Enzymes

Editorial: Inorganic Chemistry at 55

Tolman, W. B., Jan 3 2017, In : Inorganic Chemistry. 56, 1, p. 102-105 4 p.

Research output: Contribution to journalReview article

inorganic chemistry
74 Citations (Scopus)

Hydrogen Sulfide Capture: From Absorption in Polar Liquids to Oxide, Zeolite, and Metal-Organic Framework Adsorbents and Membranes

Shah, M. S., Tsapatsis, M. & Siepmann, J. I., Jul 26 2017, In : Chemical Reviews. 117, 14, p. 9755-9803 49 p.

Research output: Contribution to journalReview article

Zeolites
Hydrogen Sulfide
Adsorbents
Oxides
Metals
9 Citations (Scopus)

Increasing the stability of Mg2(dobpdc) metal-organic framework in air through solvent removal

Vitillo, J. G. & Bordiga, S., Mar 1 2017, In : Materials Chemistry Frontiers. 1, 3, p. 444-448 5 p.

Research output: Contribution to journalReview article

Metals
Air
Decomposition
Dicarboxylic Acids
Scrubbers
34 Citations (Scopus)

Introduction: Carbon Capture and Separation

Vitillo, J. G., Smit, B. & Gagliardi, L., Jul 26 2017, In : Chemical Reviews. 117, 14, p. 9521-9523 3 p.

Research output: Contribution to journalReview article

Carbon capture
Fossil fuels
Costs
34 Citations (Scopus)

Leveraging molecular metal–support interactions for H2 and N2 activation

Cammarota, R. C., Clouston, L. J. & Lu, C. C., Mar 1 2017, In : Coordination Chemistry Reviews. 334, p. 100-111 12 p.

Research output: Contribution to journalReview article

Molecular interactions
molecular interactions
Metals
Chemical activation
activation
14 Citations (Scopus)

Metal-Metal Bonds: From Fundamentals to Applications

Berry, J. F. & Lu, C. C., Jul 17 2017, In : Inorganic Chemistry. 56, 14, p. 7577-7581 5 p.

Research output: Contribution to journalReview article

Metals
6 Citations (Scopus)

Micro free flow electrophoresis

Johnson, A. C. & Bowser, M., Jan 1 2017, In : Lab on a Chip. 18, 1, p. 27-40 14 p.

Research output: Contribution to journalReview article

Electrophoresis
Isotachophoresis
Equipment Design
Electrophoretic mobility
Personal Autonomy
62 Citations (Scopus)

Recent advances in well-defined, late transition metal complexes that make and/or break C-N, C-O and C-S bonds

Desnoyer, A. N. & Love, J. A., Jan 1 2017, In : Chemical Society Reviews. 46, 1, p. 197-238 42 p.

Research output: Contribution to journalReview article

Coordination Complexes
Organometallics
Transition metals
Carbon
35 Citations (Scopus)

Recent developments in the use of aza-Heck cyclizations for the synthesis of chiral N-heterocycles

Race, N. J., Hazelden, I. R., Faulkner, A. & Bower, J. F., Jan 1 2017, In : Chemical Science. 8, 8, p. 5248-5260 13 p.

Research output: Contribution to journalReview article

Cyclization
Alkenes
Oximes
Esters
Oxidation-Reduction
47 Citations (Scopus)

Stimulated Raman scattering: From bulk to nano

Prince, R. C., Frontiera, R. R. & Potma, E. O., Jan 1 2017, In : Chemical Reviews. 117, 7, p. 5070-5094 25 p.

Research output: Contribution to journalReview article

Stimulated Raman scattering
Raman scattering
Light sources
Tissue
Imaging techniques
15 Citations (Scopus)

Titanium redox catalysis: Insights and applications of an earth-abundant base metal

Davis-Gilbert, Z. W. & Tonks, I., Jan 1 2017, In : Dalton Transactions. 46, 35, p. 11522-11528 7 p.

Research output: Contribution to journalReview article

Redox reactions
Titanium
Catalysis
Metals
Earth (planet)
10 Citations (Scopus)

Tuning the properties of metal-organic framework nodes as supports of single-site iridium catalysts: Node modification by atomic layer deposition of aluminium

Yang, D., Momeni, M. R., Demir, H., Pahls, D. R., Rimoldi, M., Wang, T. C., Farha, O. K., Hupp, J. T., Cramer, C. J., Gates, B. C. & Gagliardi, L., Jan 1 2017, In : Faraday Discussions. 201, p. 195-206 12 p.

Research output: Contribution to journalReview article

Iridium
Atomic layer deposition
atomic layer epitaxy
iridium
Aluminum
46 Citations (Scopus)

Variational transition state theory: Theoretical framework and recent developments

Bao, J. L. & Truhlar, D. G., Dec 21 2017, In : Chemical Society Reviews. 46, 24, p. 7548-7596 49 p.

Research output: Contribution to journalReview article

System theory
Rate constants
Liquids
Enzymes
13 Citations (Scopus)

Why is aged acetylcholinesterase so difficult to reactivate?

Quinn, D. M., Topczewski, J., Yasapala, N. & Lodge, A., Sep 1 2017, In : Molecules. 22, 9, 1464.

Research output: Contribution to journalReview article

Acetylcholinesterase
adducts
Nucleophiles
Oximes
Dealkylation
2016
31 Citations (Scopus)

A Chiral Metal Photocatalyst Architecture for Highly Enantioselective Photoreactions

Amador, A. G. & Yoon, T. P., Feb 12 2016, In : Angewandte Chemie - International Edition. 55, 7, p. 2304-2306 3 p.

Research output: Contribution to journalReview article

Stereochemistry
Photochemical reactions
Coordination Complexes
Photocatalysts
Metal complexes
30 Citations (Scopus)

Analytical Aspects of Nanotoxicology

Gunsolus, I. L. & Haynes, C. L., Jan 5 2016, In : Analytical chemistry. 88, 1, p. 451-479 29 p.

Research output: Contribution to journalReview article

Nanotechnology
Nanostructures
Toxicology
58 Citations (Scopus)

Capillary Electrophoresis

Harstad, R. K., Johnson, A. C., Weisenberger, M. M. & Bowser, M., Jan 5 2016, In : Analytical Chemistry. 88, 1, p. 299-319 21 p.

Research output: Contribution to journalReview article

Capillary electrophoresis
Nucleic Acids
Animals
Carbohydrates
Amino Acids
74 Citations (Scopus)

Control of reactions and network structures of epoxy thermosets

Vidil, T., Tournilhac, F., Musso, S., Robisson, A. & Leibler, L., Nov 1 2016, In : Progress in Polymer Science. 62, p. 126-179 54 p.

Research output: Contribution to journalReview article

Thermosets
resins
Epoxy Resins
polymerization
Resins