2024-06-03 | De novo design of proteins housing excitonically coupled chlorophyll special pairs – Nat. Chem. Biol. Ennist, N. M.; Wang, S.; Kennedy, M. A.; Curti, M.; Sutherland, G. A.; Vasilev, C.; Redler, R. L.; Maffeis, V.; Shareef, S.; Sica, A. V.; Hua, A. S.; Deshmukh, A. P.; Moyer, A. P.; Hicks, D. R.; Swartz, A. Z.; Cacho, R. A.; Novy, N.; Bera, A. K.; Kang, A.; Sankaran, B.; Johnson, M. P.; Phadkule, A.; Reppert, M.; Ekiert, D.; Bhabha, G.; Stewart, L.; Caram,* J. R.; Stoddard, B. L.; Romero, E.; Hunter, C. N.; Baker, D.
Recent Publications
2024-05-31 | Quantum-centric supercomputing for materials science: A perspective on challenges and future directions – Future Gener. Comput. Syst. Alexeev, Y.; Amsler, M.; Barroca, M. A.; Bassini, S.; Battelle, T.; Camps, D.; Casanova, D.; Choi, Y. J.; Chong, F. T.; Chung, C.; Codella, C.; Córcoles, A. D.; Cruise, J.; Di Meglio, A.; Duran, I.; Eckl, T.; Economou, S.; Eidenbenz, S.; Elmegreen, B.; Fare, C.; Faro, I.; Fernández, C. S.; Ferreira, R. N. B.; Fuji, K.; Fuller, B.; Gagliardi, L.; Galli, G.; Glick, J. R.; Gobbi, I.; Gokhale, P.; de la Puente Gonzalez, S.; Greiner, J.; Gropp, B.; Grossi, M.; Gull, E.; Healy, B.; Hermes, M. R.; Huang, B.; Humble, T. S.; Ito, N.; Izmaylov, A. F.; Javadi-Abhari, A.; Jennewein, D.; Jha, S.; Jiang, L.; Jones, B.; de Jong, W. A.; Jurcevic, P.; Kirby, W.; Kister, S.; Kitagawa, M.; Klassen, J.; Klymko, K.; Koh, K.; Kondo, M.; Kürkçüog̃lu, D. M.; Kurowski, K.; Laino, T.; Landfield, R.; Leininger, M.; Leyton-Ortega, V.; Li, A.; Lin, M.; Liu, J.; Lorente, N.; Luckow, A.; Martiel, S.; Martin-Fernandez, F.; Martonosi, M.; Marvinney, C.; Medina, A. C.; Merten, D.; Mezzacapo, A.; Michielsen, K.; Mitra, A.; Mittal, T.; Moon, K.; Moore, J.; Mostame, S.; Motta, M.; Na, Y.-H.; Nam, Y.; Narang,* P.; Ohnishi, Y.; Ottaviani, D.; Otten, M.; Pakin, S.; Pascuzzi, V. R.; Pednault, E.; Piontek, T.; Pitera, J.; Rall, P.; Ravi, G. S.; Robertson, N.; Rossi, M. A. C.; Rydlichowski, P.; Ryu, H.; Samsonidze, G.; Sato, M.; Saurabh, N.; Sharma, V.; Sharma, K.; Shin, S.; Slessman, G.; Steiner, M.; Sitdikov, I.; Suh, I.-S.; Switzer, E. D.; Tang, W.; Thompson, J.; Todo, S.; Tran, M. C.; Trenev, D.; Trott, C.; Tseng, H.-H.; Tubman, N. M.; Tureci, E.; Valiñas, D. G.; Vallecorsa, S.; Wever, C.; Wojciechowski, K.; Wu, X.; Yoo, S.; Yoshioka, N.; Yu, V. W.; Yunoki, S.; Zhuk, S.; Zubarev, D.
2024-05-31 | Synthetic chemistry recreates transitional forms in prebiotic membrane evolution – Chem. Saha, R.; Chen,* I. A.
2024-05-31 | Why •CF2H is nucleophilic but •CF3 is electrophilic in reactions with heterocycles – Nat. Commun. Duan, M.; Shao, Q.; Zhou, Q.; Baran, P. S.; Houk,* K. N.
2024-05-30 | Nanocrystal Assemblies: Current Advances and Open Problems – ACS Nano. Bassani, C. L.; van Anders, G.; Banin, U.; Baranov, D.; Chen, Q.; Dijkstra, M.; Dimitriyev, M. S.; Efrati, E.; Faraudo, J.; Gang, O.; Gaston, N.; Golestanian, R.; Guerrero-Garcia, G. I.; Gruenwald, M.; Haji-Akbari, A.; Ibáñez, M.; Karg, M.; Kraus, T.; Lee, B.; Van Lehn, R. C.; Macfarlane, R. J.; Mognetti, B. M.; Nikoubashman, A.; Osat, S.; Prezhdo, O. V.; Rotskoff, G. M.; Saiz, L.; Shi, A.-C.; Skrabalak, S.; Smalyukh, I. I.; Tagliazucchi, M.; Talapin, D. V.; Tkachenko, A. V.; Tretiak, S.; Vaknin, D.; Widmer-Cooper, A.; Wong,* G. C. L.; Ye, X.; Zhou, S.; Rabani, E.; Engel, M.; Travesset, A.
2024-05-30 | H and CO Co-Induced Roughening of Cu Surface in CO2 Electroreduction Conditions – J. Am. Chem. Soc. Zisheng Zhang, Winston Gee, Philippe Sautet*, and Anastassia N. Alexandrova*.
2024-05-30 | Substituent Effects on Ring Opening Allene Metathesis: Polymerization Rate Enhancement and Regioregularity – Macromolecules. Neary, W. J.; Zhao, F.; Murphy, M. C.; Chen, Y.; Liu, F.; Houk,* K. N.; Moore, J. S.
2024-05-29 | Bicyclo[1.1.0]butyl Radical Cations: Synthesis and Application to [2π + 2σ] Cycloaddition Reactions – J. Am. Chem. Soc. Tyler, J. L.; Schäfer, F.; Shao, H.; Stein, C.; Wong, A.; Daniliuc, C. G.; Houk,* K. N.; Glorius, F.
2024-05-29 | Laser-Scribed Battery Electrodes for Ultrafast Zinc-Ion Energy Storage – Adv. Mater. Liu, B.; Huang, A.; Yuan, X.; Chang, X.; Yang, Z.; Lyle, K.; Kaner,* R. B.; Li, Y.
2024-05-29 | Comparison of Cyclic and Linear PEG Conjugates – Bioconjugate Chem. Kunkel, G. E.; Zhou, Q.; Treacy, J. W.; Montgomery, H. R.; Salas-Ambrosio, P.; Ready, A. D.; Spokoyny,* A. M.; Houk,* K. N.; Maynard,* H. D.
2024-05-28 | A Pd-Catalyzed Route to Carborane-Fused Boron Heterocycles – Chem. Sci. Mengjie Zhu, Puzhao Wang, Zhengqiu Wu, Yangfa Zhong, Laiman Su, Yuquan Xin, Alex Spokoyny*, Chao Zou and xin mu.
2024-05-27 | Non-trivial quantum geometry and the strength of electron–phonon coupling – Nat. Phys. Jiabin Yu, Christopher J. Ciccarino, Raffaello Bianco, Ion Errea, Prineha Narang* & B. Andrei Bernevig.
2024-05-27 | Non-trivial quantum geometry and the strength of electron–phonon coupling – Nat. Phys. Yu, J.; Ciccarino, C. J.; Bianco, R.; Errea, I.; Narang,* P.; Bernevig, B. A.
2024-05-25 | Anisotropic 2D van der Waals Magnets Hosting 1D Spin Chains – Adv. Mater. Eugene Park, John P. Philbin, Hang Chi, Joshua J. Sanchez, Connor Occhialini, Georgios Varnavides, Jonathan B. Curtis, Zhigang Song, Julian Klein, Joachim D. Thomsen, Myung-Geun Han, Alexandre C. Foucher, Kseniia Mosina, Deepika Kumawat, N. Gonzalez-Yepez, Yimei Zhu, Zdeněk Sofer, Riccardo Comin, Jagadeesh S. Moodera, Prineha Narang*, Frances M. Ross.
2024-05-25 | Anisotropic 2D van der Waals Magnets Hosting 1D Spin Chains – Adv. Mater. Park, E.; Philbin, J. P.; Chi, H.; Sanchez, J. J.; Occhialini, C.; Varnavides, G.; Curtis, J. B.; Song, Z.; Klein, J.; Thomsen, J. D.; Han, M.; Foucher, A. C.; Mosina, K.; Kumawat, D.; Gonzalez‐Yepez, N.; Zhu, Y.; Sofer, Z.; Comin, R.; Moodera, J. S.; Narang,* P.; Ross, F. M.
2024-05-24 | Chemoproteomics Identifies State-Dependent and Proteoform-Selective Caspase-2 Inhibitors – J. Am. Chem. Soc. José O. Castellón, Samuel Ofori, Nikolas R. Burton, Ashley R. Julio, Alexandra C. Turmon, Ernest Armenta, Carina Sandoval, Lisa M. Boatner, Evan E. Takayoshi, Marina Faragalla, Cameron Taylor, Ann L. Zhou, Ky Tran, Jeremy Shek, Tianyang Yan, Heta S. Desai, Oliver I. Fregoso, Robert Damoiseaux, and Keriann M. Backus*.
2024-05-23 | Electronic coherences built by an attopulse control the forces on the nuclei – J. Phys. B: At. Mol. Opt. Phys. Cardosa-Gutierrez, M.; Levine,* R. D.; Remacle, F.
2024-05-23 | Synthesis and characterization of low-dimensional N-heterocyclic carbene lattices – Science. Boyu Qie, Ziyi Wang, Jingwei Jiang, Zisheng Zhang, Peter H. Jacobse, Jiaming Lu, Xinheng Li, Fujia Liu, Anastassia N. Alexandrova*, Steven G. Louie, Michael F. Crommie, Felix R. Fischer.
2024-05-23 | Fermiology and transport properties of the candidate topological crystalline insulator – Phys. Rev. Mater. Green, J.; Emmanouilidou, E.; Morgan, H. W. T.; Laderer, W. T.; Hu, C.; Loera, J.; Alexandrova,* A. N.; Ni, N.
2024-05-22 | Edge sites dominate the hydrogen evolution reaction on platinum nanocatalysts – Nat. Catal. Zhihong Huang, Tao Cheng, Aamir Hassan Shah, Guangyan Zhong, Chengzhang Wan, Peiqi Wang, Mengning Ding, Jin Huang, Zhong Wan, Sibo Wang, Jin Cai, Bosi Peng, Haotian Liu, Yu Huang, William A. Goddard III & Xiangfeng Duan*.
2024-05-22 | Mechanism of Ni-Catalyzed Photochemical Halogen Atom-Mediated C(sp3)–H Arylation – J. Am. Chem. Soc. Alexander Q. Cusumano, Braden C. Chaffin, and Abigail G. Doyle*.
2024-05-20 | Access to Complex Scaffolds Through [2 + 2] Cycloadditions of Strained Cyclic Allenes – J. Am. Chem. Soc. Matthew S. McVeigh, Jacob P. Sorrentino, Allison T. Hands, and Neil K. Garg*.
2024-05-20 | X-ray crystal structure of a designed rigidified imaging scaffold in the ligand-free conformation – Acta Crystallogr., F Struct. Biol. Commun. Agdanowski, M. P.; Castells-Graells, R.; Sawaya, M. R.; Cascio, D.; Yeates,* T. O.; Arbing, M. A.
2024-05-20 | Dual Optical Cycling Centers Mounted on an Organic Scaffold: New Insights from Quantum Chemistry Calculations and Symmetry Analysis – J. Phys. Chem. Lett. Khvorost, T.; Wójcik, P.; Chang, C.; Calvillo, M.; Dickerson, C.; Lao, G.; Hudson, E. R.; Krylov, A. I.; Alexandrova,* A. N.
2024-05-20 | Enlightening 2D semiconductor inks – Chem. Zhou, J.; Zhou, B.; Duan,* X.
2024-05-20 | Rhodium(I)-Catalyzed Annulation of Bicyclo[1.1.0]butyl-Substituted Dihydroquinolines and Dihydropyridines – J. Am. Chem. Soc. Borgini, M.; Huang, Q.-N.; Chen, P.-P.; Geib, S. J.; Houk,* K. N.; Wipf, P.
2024-05-17 | Using Bulky Dodecaborane-Based Dopants to Produce Mobile Charge Carriers in Amorphous Semiconducting Polymers – Chem. Mater. Yutong Wu, Charlene Z. Salamat, Alex León Ruiz, Alexander F. Simafranca, Nesibe Akmanşen-Kalayci, Eric C. Wu, Evan Doud, Zerina Mehmedović, Jeffrey R. Lindemuth, Minh D. Phan, Alexander M. Spokoyny*, Benjamin J. Schwartz*, and Sarah H. Tolbert*.
2024-05-17 | Preservation of Topological Surface States in Millimeter-Scale Transferred Membranes – Nano Lett. Ip, C. I. J.; Gao, Q.; Nguyen, K. D.; Yan, C.; Yan, G.; Hoenig, E.; Marchese, T. S.; Zhang, M.; Lee, W.; Rokni, H.; Meng, Y. S.; Liu,* C.; Yang, S.
2024-05-17 | Giant second harmonic generation in bulk monolayer MoS2 thin films – Matter. Zhou, B.; Kang, J. H.; Hu, B.; Zhou, J.; Ren, H.; Zhou, J.; Zhang, D.; Zhang, A.; Zheng, S.; Wong, C. W.; Huang, Y.; Duan,* X.
2024-05-15 | Difluoromethylation of Phenols – Org. Synth. Allison T. Hands, Zachary G. Walters, Jacob P. Sorrentino, and Neil K. Garg*.
2024-05-14 | Discovery and Characterization of Pyridoxal 5′-Phosphate-Dependent Cycloleucine Synthases – J. Am. Chem. Soc. Abner N. D. Abad, Kaushik Seshadri, Masao Ohashi, David A. Delgadillo, Lygia S. de Moraes, Kyle K. Nagasawa, Mengting Liu, Samuel Johnson, Hosea M. Nelson, and Yi Tang*.
2024-05-14 | Top-down mass spectrometry of native proteoforms and their complexes: a community study – Nat. Methods. Habeck, T.; Brown, K. A.; Des Soye, B.; Lantz, C.; Zhou, M.; Alam, N.; Hossain, M. A.; Jung, W.; Keener, J. E.; Volny, M.; Wilson, J. W.; Ying, Y.; Agar, J. N.; Danis, P. O.; Ge, Y.; Kelleher, N. L.; Li, H.; Loo,* J. A.; Marty, M. T.; Paša-Tolić, L.; Sandoval, W.; Lermyte, F.
2024-05-13 | Effect of Surface Oxidation and Crystal Thickness on the Magnetic Properties and Magnetic Domain Structures of Cr2Ge2Te6 – ACS Nano. Joachim Dahl Thomsen, Myung-Geun Han, Aubrey N. Penn, Alexandre C. Foucher, Michael Geiwitz, Kenneth Stephen Burch, Lukas Dekanovsky, Zdeněk Sofer, Yu Liu, Cedomir Petrovic, Frances M. Ross, Yimei Zhu, and Prineha Narang*.
2024-05-13 | Restructuring multi-phase interfaces from Cu-based metal–organic frameworks for selective electroreduction of CO2 to C2H4 – Chem. Sci. Feng, J.; Zhang, W.; Shi, D.; Jia, Y.; Tang,* Y.; Meng, Y.; Gao, Q.
2024-05-10 | Difluoromethylation of Phenols – Org. Synth. Allison T. Hands, Zachary G. Walters, Jacob P. Sorrentino, and Neil K. Garg*.
2024-05-10 | A reflection on ‘Highly dispersible polypyrrole nanospheres for advanced nanocomposite ultrafiltration membranes’ – Mater. Horiz. Lin, C.-W.; Kaner,* R. B.
2024-05-09 | Topological phononics is cataloged – Science. Prineha Narang* and Arpit Arora.
2024-05-08 | Giant Terahertz Birefringence in an Ultrathin Anisotropic Semimetal – Nano Lett. Sie, E. J.; Othman, M. A. K.; Nyby, C. M.; Pemmaraju, D.; Garcia, C. A. C.; Wang, Y.; Guzelturk, B.; Xia, C.; Xiao, J.; Poletayev, A.; Ofori-Okai, B. K.; Hoffmann, M. C.; Park, S.; Shen, X.; Yang, J.; Li, R.; Reid, A. H.; Weathersby, S.; Muscher, P.; Finney, N.; Rhodes, D.; Balicas, L.; Nanni, E.; Hone, J.; Chueh, W.; Devereaux, T. P.; Narang,* P.; Heinz, T. F.; Wang, X.; Lindenberg, A. M.
2024-05-08 | Hierarchical design enables sufficient activated CO2 for efficient electrolysis of bicarbonate to CO – Joule. Shen, M.; Ji, L.; Cheng, D.; Wang, Z.; Xue, Q.; Feng, S.; Luo, Y.; Chen, S.; Wang, J.; Zheng, H.; Wang, X.; Sautet,* P.; Zhu, J.
2024-05-08 | Functional analysis of the zinc finger modules of theSaccharomyces cerevisiaesplicing factor Luc7 – RNA. Carrocci, T. J.; DeMario, S.; He, K.; Zeps, N. J.; Harkner, C. T.; Chanfreau,* G. F.; Hoskins, A. A.
2024-05-07 | Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid Time-Dependent Density Functional Theory Calculations – J. Chem. Theory Comput. Mykola Sereda, Tucker Allen, Nadine C. Bradbury, Khaled Z. Ibrahim, and Daniel Neuhauser*.
2024-05-06 | Long-Chain Lipids Facilitate Insertion of Large Nanoparticles into Membranes of Small Unilamellar Vesicles – Langmuir. Marzouq, A.; Morgenstein, L.; Huang-Zhu, C. A.; Yudovich, S.; Atkins, A.; Grupi, A.; Van Lehn, R. C.; Weiss,* S.
2024-05-06 | In Vivo Delivery of Spherical and Cylindrical In Vitro Reconstituted Virus-like Particles Containing the Same Self-Amplifying mRNA – Mol. Pharm. Karan, S.; Durán-Meza, A. L.; Chapman, A.; Tanimoto, C.; Chan, S. K.; Knobler,* C. M.; Gelbart, W. M.; Steinmetz, N. F.
2024-05-06 | Understanding the Decomposition of Dimethyl Methyl Phosphonate on Metal-Modified TiO2(110) Surfaces Using Ensembles of Product Configurations – ACS Appl. Mater. Interfaces. Bonney, M. J.; Tesvara, C.; Sautet,* P.; White, M. G.
2024-05-06 | Synthesis of Rhenium-Doped Copper Twin Boundary for High-Turnover-Frequency Electrochemical Nitrogen Reduction – ACS Appl. Mater. Interfaces. Ye, T.; Wang, Y.; Yao, X.; Li, H.; Xiao, T.; Ba, K.; Tang,* Y.; Zheng, C.; Yang, X.; Sun, Z.
2024-05-03 | Biocatalytic, enantioenriched primary amination of tertiary C–H bonds – Nat. Catal. Mao, R.; Gao, S.; Qin, Z.-Y.; Rogge, T.; Wu, S. J.; Li, Z.-Q.; Das, A.; Houk,* K. N.; Arnold, F. H. Biocatalytic,.
2024-05-02 | Total Synthesis of Lissodendoric Acid A – Angew. Chem. Int. Ed. Francesca M. Ippoliti, Laura G. Wonilowicz, Nathan J. Adamson, Evan R. Darzi, Joyann S. Donaldson, Daniel J. Nasrallah, Milauni M. Mehta, Andrew V. Kelleghan, K. N. Houk, Neil K. Garg*.
2024-05-02 | Measuring Heat Dissipation and Entropic Potential in Battery Cathodes Made with Conjugated and Conventional Polymer Binders Using Operando Calorimetry – ACS Appl. Polym. Mater. Baek, S. W.; Salamat, C. Z.; Elizalde-Segovia, R.; Das, P.; Frajnkovič, M.; Zhou, Y.; Thompson, B. C.; Narayan, S. R.; Tolbert,* S. H.; Pilon, L.
2024-05-01 | Many-Body Excited States with a Contracted Quantum Eigensolver – J. Chem. Theory Comput. Smart, S. E.; Welakuh, D. M.; Narang,* P.
2024-05-01 | Application of a ferrocene-chelating heteroscorpionate ligand in nickel mediated radical polymerization – Inorg. Chem. Front. Li, S.; Davis, A. R.; Roshandel, H.; Adhami, N.; Shen, Y.; Co, N. H.; Morag, L. A.; Etemad, H.; Liu, Y.; Diaconescu,* P. L.
2024-05-01 | Carbene-Assisted Arene Ring-Opening – J. Am. Chem. Soc. Cheng, Z.; Xu, H.; Hu, Z.; Zhu, M.; Houk,* K. N.; Xue, X.-S.; Jiao, N.
2024-05-01 | D-peptide-magnetic nanoparticles fragment tau fibrils and rescue behavioral deficits in a mouse model of Alzheimer’s disease – Sci. Adv. Hou, K.; Pan, H.; Shahpasand-Kroner, H.; Hu, C.; Abskharon, R.; Seidler, P.; Mekkittikul, M.; Balbirnie, M.; Lantz, C.; Sawaya, M. R.; Dolinsky, J. L.; Jones, M.; Zuo, X.; Loo,* J. A.; Frautschy, S.; Cole, G.; Eisenberg,* D. S.
2024-05-01 | Unraveling the CO Oxidation Mechanism over Highly Dispersed Pt Single Atom on Anatase TiO2 (101) – ACS Catal. Tesvara, C.; Yousuf, M. R.; Albrahim, M.; Troya, D.; Shrotri, A.; Stavitski, E.; Karim, A. M.; Sautet,* P.
2024-05-01 | The Annual ASMS Conference: Relax, and Give Us Your Feedback – J. Am. Soc. Mass Spectrom. Loo,* J. A.
2024-04-30 | Highly Selective Electrochemical Baeyer-Villiger Oxidation through Oxygen Atom Transfer from Water – J. Am. Chem. Soc. Mu, Y.; Chen, B.; Zhang, H.; Fei, M.; Liu, T.; Mehta, N.; Wang, D. Z.; Miller, A. J. M.; Diaconescu,* P. L.; Wang, D.
2024-04-30 | Integrated electrochemical CO2 reduction and hydroformylation – Dalton Trans. Jolly, B. J.; Pung, M. J.; Liu,* C.
2024-04-26 | Highly efficient hydrodesulfurization driven by an in-situ reconstruction of ammonium/amine intercalated MoS2 catalysts – iScience. Yan, T.; Jia, Y.; Hou, K.; Gui, Z.; Zhang, W.; Du, K.; Pan, D.; Li, H.; Shi, Y.; Qi, L.; Gao, Q.; Zhang, Y.; Tang,* Y.
2024-04-26 | Performance evaluation and multidisciplinary analysis of catalytic fixation reactions by material–microbe hybrids – Nat. Catal. Guan, X.; Xie, Y.; Liu,* C.
2024-04-25 | Interplay Between Substrate Polarity and Protein Dynamics in Evolved Kemp Eliminases – ChemCatChem. Peccati, F.; Noey, E. L.; Houk,* K. N.; Osuna, S.; Jiménez‐Osés, G.
2024-04-24 | β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis – Chem. Sci. Song, Y.; Wang, W.; Yang, J.; Gao, D.; Billingsley, J. M.; Wang, S.; Zhu, Y.; Wang, J.; Ju, J.; Yan, Y.; Tang,* Y.
2024-04-24 | Ultrafast Au(III)-Mediated Arylation of Cysteine – J. Am. Chem. Soc. Evan A. Doud, James A. R. Tilden, Joseph W. Treacy, Elaine Y. Chao, Hayden R. Montgomery, Grace E. Kunkel, Eileen J. Olivares, Nima Adhami, Tyler A. Kerr, Yu Chen, Arnold L. Rheingold, Joseph A. Loo*, Christopher G. Frost, K. N. Houk*, Heather D. Maynard*, and Alexander M. Spokoyny*.
2024-04-24 | Critiquing lab technique videos prior to class: can it improve demonstrated technique? – Chem. Educ. Res. Pract. Stephanie M. Tenney*, Arlene A. Russell*, and Jennifer R. Casey*.
2024-04-23 | Redox regulation of Ni hydroxides with controllable phase composition towards biomass-derived polyol electro-refinery – Chem. Sci. Gui, Z.; Jia, Y.; Liao, X.; Yan, T.; Gao, B.; Zhang, W.; Chen, L.; Gao, Q.; Zhang, Y.; Tang,* Y.
2024-04-22 | HCl trimer: HCl-stretch excited intramolecular and intermolecular vibrational states from 12D fully coupled quantum calculations employing contracted intra- and inter-molecular bases – J. Chem. Phys. Irén Simkó, Peter M. Felker*, Zlatko Bačić.
2024-04-22 | Evaluation of Retro-Aldol vs Retro-Carbonyl-Ene Mechanistic Pathways in a Complexity-Generating C–C Bond Fragmentation – Org. Lett. Ana S. Bulger, Daniel W. Turner, Qingyang Zhou, K. N. Houk*, and Neil K. Garg*.
2024-04-19 | Quantum Communications and Networking: Series 1 – IEEE Netw. Li, R.; Narang,* P.; Aelmans, M.; Mueller, P.; Long, G.
2024-04-19 | Solution-Processable and Printable Two-Dimensional Transition Metal Dichalcogenide Inks – Chem. Rev. Dai, Y.; He, Q.; Huang, Y.; Duan,* X.; Lin, Z.
2024-04-18 | Improving hydrogen evolution reaction efficiency through lattice tuning – Nano Res. Zhao, Z.; Liu, H.; Gao, W.; Kolla, P.; Xue, W.; Liu, Z.; Guo, J.; Mukerjee, S.; Pan, X.; Jia, Q.; Duan,* X.; Huang, Y.
2024-04-17 | Lessons Learned─Heat Gun Fire – ACS Chem. Health Saf. Merlic,* C. A.; Zinn, S. R.; Schröder, I.
2024-04-16 | Uncovering the predictive pathways of lithium and sodium interchange in layered oxides – Nat. Mater. Han, Y.; Xie, W.; Hill, G. T.; Smeets, P.; Hu, X.; Yan, G.; Zou, S.; Liu, J.; Wu, R.; Shi, F.; Zhou, H.; Canepa, P.; Liu,* C.
2024-04-16 | Generic synthesis of high-entropy phosphides for fast and stable Li-ion storage – Energy Environ. Sci. Li, W.; Li, Y.; Wang, J.-H.; Huang, S.; Chen, A.; Yang, L.; Chen, J.; He, L.; Pang, W. K.; Thomsen, L.; Cowie, B.; Xiong, P.; Zhou, Y.; Jang, G.; Min, D. H.; Byun, J. S.; Xu, L.; Huang, J.-Q.; Roh, K. C.; Kang, S. H.; Liu, M.; Duan,* X.; Park, H. S.
2024-04-15 | Redox-Active Boron Clusters – Acc. Chem. Res. Austin D. Ready, Yessica A. Nelson, Daniel F. Torres Pomares, and Alexander M. Spokoyny*.
2024-04-15 | Characterizing Hydroxyl Radical Formation from the Light-Driven Fe(II)-Peracetic Acid Reaction, a Key Process for Aerosol-Cloud Chemistry – Environ. Sci. Technol. Campbell, S. J.; La, C.; Zhou, Q.; Le, J.; Galvez-Reyes, J.; Banach, C.; Houk,* K. N.; Chen, J. R.; Paulson, S. E.
2024-04-15 | Electrocatalytic hydrogenation of acetonitrile to ethylamine in acid – Nat. Commun. Tang, C.; Wei, C.; Fang, Y.; Liu, B.; Song, X.; Bian, Z.; Yin, X.; Wang, H.; Liu, Z.; Wang, G.; Xiao, X.; Duan,* X.
2024-04-12 | Electronic structure and vibrational stability of copper-substituted lead apatite LK-99 – Phys. Rev. B. Cabezas-Escares, J.; Barrera, N. F.; Lavroff, R. H.; Alexandrova,* A. N.; Cardenas, C.; Munoz, F.
2024-04-11 | Nickel-catalyzed Amination of Aryl Chlorides – Organic Syntheses. Zachary G. Walters, Daniel W. Turner, and Neil K. Garg*.
2024-04-11 | Information geometric bound on general chemical reaction networks – Phys. Rev. E. Mizohata, T.; Kobayashi, T. J.; Bouchard,* L.-S.; Miyahara, H.
2024-04-10 | Functionalizing tandem mass tags for streamlining click-based quantitative chemoproteomics –Commun. Chem. Nikolas R. Burton and Keriann M. Backus*.
2024-04-10 | Ligand efficacy modulates conformational dynamics of the µ-opioid receptor – Nature. Zhao, J.; Elgeti, M.; O’Brien, E. S.; Sár, C. P.; EI Daibani, A.; Heng, J.; Sun, X.; White, E.; Che, T.; Hubbell,* W. L.; Kobilka, B. K.; Chen, C.
2024-04-10 | Maximizing Electrochemical Information: A Perspective on Background-Inclusive Fast Voltammetry – Anal. Chem. Movassaghi, C. S.; Alcañiz Fillol, M.; Kishida, K. T.; McCarty, G.; Sombers, L. A.; Wassum, K. M.; Andrews,* A. M.
2024-04-10 | Insight into the autoproteolysis mechanism of the RsgI9 anti‐σ factor from Clostridium thermocellum – Proteins: Struct. Funct. Bioinform. Takayesu, A.; Mahoney, B. J.; Goring, A. K.; Jessup, T.; Ogorzalek Loo, R. R.; Loo, J. A.; Clubb,* R. T.
2024-04-08 | How Fungi Biosynthesize 3-Nitropropanoic Acid: The Simplest yet Lethal Mycotoxin – Org. Lett. Johnson, C. W.; Ohashi, M.; Tang,* Y.
2024-04-08 | High-throughput quantum theory of atoms in molecules (QTAIM) for geometric deep learning of molecular and reaction properties – Digit. Discov. Vargas, S.; Gee, W.; Alexandrova,* A.
2024-04-08 | Time-dependent density functional theory with the orthogonal projector augmented wave method – J. Chem. Phys. Nguyen, M.; Duong, T.; Neuhauser,* D.
2024-04-05 | Call me serotonin – Nat.Chem. Cameron S. Movassaghi & Anne Milasincic Andrews*.
2024-04-03 | BayesAge: A maximum likelihood algorithm to predict epigenetic age – Front. Bioinform. Mboning, L.; Rubbi, L.; Thompson, M.; Bouchard,* L.-S.; Pellegrini, M.
2024-04-03 | Making topological protein links using enzymatic reactions – Natl. Sci. Rev. Castells-Graells, R.; Yeates,* T. O.
2024-04-03 | Electronic Coherences Excited by an Ultra Short Pulse Are Robust with Respect to Averaging over Randomly Oriented Molecules as Shown by Singular Value Decomposition – J. Phys. Chem. A. Cardosa-Gutierrez, M.; Levine,* R. D.; Remacle, F.
2024-04-02 | A nanoengineered vanadium oxide composite as a high-performance anode for aqueous Li-ion hybrid batteries – Nanoscale Horiz. Huang, A.; Yang, Z.; Chang, X.; Lin, C.-W.; Kaner,* R. B.
2024-04-01 | Evaluating polymerization kinetics using microrheology – Polym. Chem. Salas-Ambrosio, P.; Gupit, C. I.; Urueña, J. M.; Luo, Y.; Hankett, J. M.; Gupta, R.; Valentine, M. T.; Maynard,* H. D.; Helgeson, M. E.
2024-03-30 | Autonomous closed-loop mechanistic investigation of molecular electrochemistry via automation – Nat. Commun. Sheng, H.; Sun, J.; Rodríguez, O.; Hoar, B. B.; Zhang, W.; Xiang, D.; Tang, T.; Hazra, A.; Min, D. S.; Doyle, A. G.; Sigman, M. S.; Costentin, C.; Gu, Q.; Rodríguez-López, J.; Liu,* C.
2024-03-28 | Chemical bonding dictates drastic critical temperature difference in two seemingly identical superconductors – PNAS. Robert Lavroff, Julen Munarriz, Claire Dickerson, Francisco Munoz, and Anastassia Alexandrova*.
2024-03-27 | Reaction amplification with a gain: Triplet exciton–mediated quantum chain using mixed crystals with a tailor-made triplet sensitizer – PNAS. Indrajit Paul, Krzysztof A. Konieczny, Roberto Chavez, and Miguel A. Garcia-Garibay*. Read about the research here.
2024-03-27 | Electronic isomerism in a heterometallic nickel–iron–sulfur cluster models substrate binding and cyanide inhibition of carbon monoxide dehydrogenase – Chem. Sci. Luke C. Lewis, José A. Sanabria-Gracia, Yuri Lee, Adam J. Jenkins and Hannah S. Shafaat*.
2024-03-27 | Thermodynamic Equilibrium versus Kinetic Trapping: Thermalization of Cluster Catalyst Ensembles Can Extend Beyond Reaction Time Scales – ACS Catal. Poths, P.; Vargas, S.; Sautet,* P.; Alexandrova,* A. N.
2024-03-27 | Platinum Surface Water Orientation Dictates Hydrogen Evolution Reaction Kinetics in Alkaline Media – J. Am. Chem. Soc. Shah, A. H.; Zhang, Z.; Wan, C.; Wang, S.; Zhang, A.; Wang, L.; Alexandrova,* A. N.; Huang, Y.; Duan,* X.
2024-03-27 | Design of a symmetry-broken tetrahedral protein cage by a method of internal steric occlusion – Protein Sci. Gladkov, N.; Scott, E. A.; Meador, K.; Lee, E. J.; Laganowsky, A. D.; Yeates,* T. O.; Castells‐Graells, R.
2024-03-26 | Crystallization-Induced Flower-like Superstructures via Peptoid Helix Assembly – ACS Macro Lett. Kai-Chieh Yang, Daniela Rivera Mirabal, Ronnie Garcia, Niko Vlahakis, Phong Nguyen, Shawn Mengel, Matthew Mecklenburg, Jose Rodriguez*, M. Scott Shell, Craig Hawker, and Rachel Segalman.
2024-03-26 | Standardizing the White Cast Potential of Sunscreens with Metal Oxide Ultraviolet Filters – Acc. Mater. Res. Ajoa J. Addae and Paul S. Weiss*.
2024-03-25 | Preparation of Bioconjugates of Chimeric M13 Phage and Gold Nanorods – Methods in Molecular Biology. Peng, H.; Chen,* I. A.