Nat. Catal.-Cu catalysts for Selective C–C coupling

Metal ion cycling of Cu foil for selective C–C coupling in electrochemical CO2 reduction

Kun Jiang, Robert B. Sandberg, Austin J. Akey, Xinyan Liu, David C. Bell, Jens K. Nørskov, Karen Chan & Haotian Wang
1.Rowland Institute, Harvard University, Cambridge, MA, USA
2.SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, CA, USA
3.SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, CA, USA
Nature Catalysis volume 1, pages 111–119 (2018)
doi:10.1038/s41929-017-0009-x
© 2018 Macmillan Publishers Limited, part of Springer Nature. All rights reserved.

By tuning the facet exposure on Cu foil through the metal ion battery cycling, selective C-C coupling was achieved with a highest C2+ Faradaic efficiency of over 60%, H2 below 20%, and a corresponding C2+ partial current density of more than 40 mA/cm2.

Image: Demin Liu (MolGraphics), Kun Jiang (Harvard University) and Haotian Wang (Harvard University). Cover Design: Karen Moore.

BIOPHYS. J.-PyContact

PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations

Maximilian Scheurer, Peter Rodenkirch, Marc Siggel, Rafael C. Bernardi, Klaus Schulten, Emad Tajkhorshid, Till Rudack

1.NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois
2.Department of Biochemistry, Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois
3.Department of Biophysics, Ruhr University Bochum, Bochum, Germany
DOI: https://doi.org/10.1016/j.bpj.2017.12.003
Copyright © 2017 Elsevier Inc. except certain content provided by third parties

Protein contacts are vital in many biological processes. PyContact is a novel tool developed to identify, analyze, and visualize these contacts in molecular dynamics simulations.

Chem- Artificial Photosynthesis

Transition-Metal Single Atoms in a Graphene Shell as Active Centers for Highly Efficient Artificial Photosynthesis

Kun Jiang, Samira Siahrostami, Austin J. Akey, Yanbin Li, Zhiyi Lu, Judith Lattimer, Yongfeng Hu, Chris Stokes, Mahesh Gangishetty, Guangxu Chen, Yawei Zhou, Winfield Hill, Wen-Bin Cai, David Bell, Karen Chan, Jens K. Nørskov, Yi Cui, Haotian Wang
1.Rowland Institute, Harvard University, Cambridge, MA 02142, USA
DOI: http://dx.doi.org/10.1016/j.chempr.2017.09.014
Received: August 1, 2017; Received in revised form: September 15, 2017; Accepted: September 26, 2017; Published: October 19, 2017 © 2017 Elsevier Inc.

Single Ni atoms coordinated in graphene served as active centers for aqueous CO2 reduction to CO with high faradic effciencies over 90% under significant currents up to ~60 mA/mg.

 

 

JACS-Cellulosomal Scaffoldin Mechanics

Combining in Vitro and in Silico Single-Molecule Force Spectroscopy to Characterize and Tune Cellulosomal Scaffoldin Mechanics

Tobias Verdorfer†, Rafael C. Bernardi‡, Aylin Meinhold†, Wolfgang Ott†, Zaida Luthey-Schulten‡§, Michael A. Nash*∥⊥, and Hermann E. Gaub† 
† Lehrstuhl für Angewandte Physik and Center for Nanoscience, Ludwig-Maximilians-Universität, 80799 Munich, Germany
‡ Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States
Department of Chemistry, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States
Department of Chemistry, University of Basel, 4056 Basel, Switzerland
Department of Biosystems Science and Engineering, Swiss Federal Institute of Technology (ETH Zurich), 4058 Basel, Switzerland
J. Am. Chem. Soc., 2017, 139 (49), pp 17841–17852
DOI: 10.1021/jacs.7b07574
Publication Date (Web): October 23, 2017
Copyright © 2017 American Chemical Society

The force induced unfolding behavior of all cohesins from the scaffoldin ScaA was successfully characterized by combining in vitro and in silico single-molecule force spectroscopy.

Science-A cargo-sorting DNA robot

A cargo-sorting DNA robot

Anupama J. Thubagere1, Wei Li1, Robert F. Johnson1, Zibo Chen1, Shayan Doroudi2, Yae Lim Lee3, Gregory Izatt2,4, Sarah Wittman2, Niranjan Srinivas4, Damien Woods2,*, Erik Winfree1,2,4, Lulu Qian1,2,†
1. Bioengineering, California Institute of Technology, Pasadena, CA 91125, USA.
2. Computer Science, California Institute of Technology, Pasadena, CA 91125, USA.
3. Electrical Engineering, California Institute of Technology, Pasadena, CA 91125, USA.
4. Computation and Neural Systems, California Institute of Technology, Pasadena, CA 91125, USA.
DOI: 10.1126/science.aan6558
© 2017 American Association for the Advancement of Science. All rights Reserved. AAAS is a partner of HINARI, AGORA OARE, PatientInform, CHORUS, CLOCKSS, CrossRef and COUNTER. Science ISSN 1095-9203.

Single-stranded DNA robots with three modular functional domains were designed to move over the surface of a DNA origami sheet and sort molecular cargoes with no additional power input.

Nano Letters-Mapping Mechanical Force Propagation through Biomolecular Complexes

Mapping Mechanical Force Propagation through Biomolecular Complexes

Constantin Schoeler†, Rafael C. Bernardi‡, Klara H. Malinowska†, Ellis Durner†, Wolfgang Ott†§, Edward A. Bayer∥, Klaus Schulten‡⊥, Michael A. Nash*†, and Hermann E. Gaub†
† Lehrstuhl für Angewandte Physik and Center for Nanoscience, Ludwig-Maximilians-Universität, 80799 Munich, Germany
‡ Theoretical and Computational Biophysics Group, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States
§ Center for Integrated Protein Science Munich (CIPSM), University of Munich, 81377 Munich, Germany
∥ Department of Biological Chemistry, The Weizmann Institute of Science, Rehovot 76100, Israel
⊥ Department of Physics, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States
Nano Lett., 2015, 15 (11), pp 7370–7376
DOI: 10.1021/acs.nanolett.5b02727
Publication Date (Web): August 11, 2015
Copyright © 2015 American Chemical Society
Single-molecule force spectroscopy with an atomic force microscope (AFM) and steered molecular dynamics (SMD) simulations revealed force propagation pathways through a mechanically ultrastable multidomain cellulosome protein complex.