Research Output 1960 2018

2018

Afterglow solid-state NMR spectroscopy

Abramov, G. & Traaseth, N. J. Jan 1 2018 Methods in Molecular Biology. Humana Press Inc., Vol. 1688, p. 55-66 12 p. (Methods in Molecular Biology; vol. 1688)

Research output: ResearchChapter

Magnetic Resonance Spectroscopy
Datasets
Membrane Transport Proteins
Multiple Drug Resistance
Spectrum Analysis

NMR spectroscopy approach to study the structure, orientation, and mechanism of the multidrug exporter EmrE

Leninger, M. & Traaseth, N. J. Jan 1 2018 Methods in Molecular Biology. Humana Press Inc., Vol. 1700, p. 83-96 14 p. (Methods in Molecular Biology; vol. 1700)

Research output: ResearchChapter

Multiple Drug Resistance
Magnetic Resonance Spectroscopy
Membrane Proteins
Cytoplasm
Anti-Bacterial Agents
2017

1H NMR study and multivariate data analysis of reindeer skin tanning methods

Zhu, L., Ilott, A. J., Del Federico, E., Kehlet, C., Klokkernes, T. & Jerschow, A. Apr 1 2017 In : Magnetic Resonance in Chemistry. 55, 4, p. 312-317 6 p.

Research output: Research - peer-reviewArticle

Tanning
Skin
Nuclear magnetic resonance
Leather
Tannins

ABC Supramolecular Triblock Copolymer by ROMP and ATRP

Lye, D. S., Xia, Y., Wong, M. Z., Wang, Y., Nieh, M. P. & Weck, M. Jun 13 2017 In : Macromolecules. 50, 11, p. 4244-4255 12 p.

Research output: Research - peer-reviewArticle

Atom transfer radical polymerization
Ring opening polymerization
Block copolymers
Styrenes
Bearings (structural)
Insecticides
Deregulation

Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies

Felker, P. M. & Bačić, Z. Jan 9 2017 (Accepted/In press) In : Chemical Physics Letters.

Research output: Research - peer-reviewArticle

electric dipoles
assemblies
eigenvectors
dipoles
assembly

A Conia-Ene-Type Cyclization under Basic Conditions Enables an Efficient Synthesis of (−)-Lycoposerramine R

Hartrampf, F. W. W., Furukawa, T. & Trauner, D. 2017 In : Angewandte Chemie - International Edition. 56, 3, p. 893-896 4 p.

Research output: Research - peer-reviewArticle

Bearings (structural)
Cyclization
Alkenes
Precious metals
Alkaloids

Additions of Organomagnesium Halides to α-Alkoxy Ketones: Revision of the Chelation-Control Model

Read, J. A., Yang, Y. & Woerpel, K. A. Jul 7 2017 In : Organic Letters. 19, 13, p. 3346-3349 4 p.

Research output: Research - peer-reviewArticle

Chelation
Ketones
alkoxyl radical
chelation
ketones

A device that operates within a self-assembled 3D DNA crystal

Hao, Y., Kristiansen, M., Sha, R., Birktoft, J. J., Hernandez, C., Mao, C. & Seeman, N. C. Aug 1 2017 In : Nature Chemistry. 9, 8, p. 824-827 4 p.

Research output: Research - peer-reviewArticle

DNA
Crystals
Dyes
Coloring Agents
X ray crystallography

Allylmagnesium Halides Do Not React Chemoselectively because Reaction Rates Approach the Diffusion Limit

Read, J. A. & Woerpel, K. A. Feb 17 2017 In : Journal of Organic Chemistry. 82, 4, p. 2300-2305 6 p.

Research output: Research - peer-reviewArticle

Carbonyl compounds
Reaction rates
Bearings (structural)
Aldehydes
Esters

An Electrochemical Biosensor with Dual Signal Outputs: Toward Simultaneous Quantification of pH and O2 in the Brain upon Ischemia and in a Tumor during Cancer Starvation Therapy

Liu, L., Zhao, F., Liu, W., Zhu, T., Zhang, J. Z. H., Chen, C., Dai, Z., Peng, H., Huang, J. L., Hu, Q., Bu, W. & Tian, Y. Aug 21 2017 In : Angewandte Chemie - International Edition. 56, 35, p. 10471-10475 5 p.

Research output: Research - peer-reviewArticle

Biosensors
Tumors
Brain
Hemin
Molecules

An Organic Semiconductor Organized into 3D DNA Arrays by “Bottom-up” Rational Design

Wang, X., Sha, R., Kristiansen, M., Hernandez, C., Hao, Y., Mao, C., Canary, J. W. & Seeman, N. C. 2017 In : Angewandte Chemie - International Edition. 56, 23, p. 6445-6448 4 p.

Research output: Research - peer-reviewArticle

Semiconducting organic compounds
Crystals
DNA
Oxidation-Reduction
Scaffolds

An α-helical peptidomimetic scaffold for dynamic combinatorial library formation

Busschaert, N., Thompson, S. & Hamilton, A. D. 2017 In : Chemical Communications. 53, 2, p. 313-316 4 p.

Research output: Research - peer-reviewArticle

Peptidomimetics
Hydrazones
Imines
Scaffolds

Asymmetric Synthesis of the Antiviral Diterpene Wickerol A

Liu, S. A. & Trauner, D. Jul 19 2017 In : Journal of the American Chemical Society. 139, 28, p. 9491-9494 4 p.

Research output: Research - peer-reviewArticle

H1N1 Subtype Influenza A Virus
Ships
Diterpenes
Cycloaddition Reaction
Alkylation

A Systems Biology Approach Identifies FUT8 as a Driver of Melanoma Metastasis

Agrawal, P., Fontanals-Cirera, B., Sokolova, E., Jacob, S., Vaiana, C. A., Argibay, D., Davalos, V., McDermott, M., Nayak, S., Darvishian, F., Castillo, M., Ueberheide, B., Osman, I., Fenyö, D., Mahal, L. K. & Hernando, E. Jun 12 2017 In : Cancer Cell. 31, 6, p. 804-819.e7

Research output: Research - peer-reviewArticle

Systems Biology
Melanoma
Neoplasm Metastasis
Neural Cell Adhesion Molecule L1
Glycomics

BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation

Sun, Z. X., Wang, X. H. & Zhang, J. Z. H. 2017 In : Physical Chemistry Chemical Physics. 19, 23, p. 15005-15020 16 p.

Research output: Research - peer-reviewArticle

sampling
optimization
Free energy
Sampling
free energy

Best practices for real-time in situ atomic force and chemical force microscopy of crystals

Poloni, L. N., Zhong, X., Ward, M. D. & Mandal, T. Jan 1 2017 In : Chemistry of Materials. 29, 1, p. 331-345 15 p.

Research output: Research - peer-reviewArticle

Microscopic examination
Crystals
Crystallization
Adhesion
Crystal growth

Binuclear, High-Valent Nickel Complexes: Ni−Ni Bonds in Aryl–Halogen Bond Formation

Diccianni, J. B., Hu, C. & Diao, T. Mar 20 2017 In : Angewandte Chemie - International Edition. 56, 13, p. 3635-3639 5 p.

Research output: Research - peer-reviewArticle

Halogens
Nickel
Metals
Oxidation
Carbon

Biomimetic Synthesis of Complex Flavonoids Isolated from Daemonorops “Dragon's Blood”

Schmid, M. & Trauner, D. 2017 In : Angewandte Chemie - International Edition. 56, 40, p. 12332-12335 4 p.

Research output: Research - peer-reviewArticle

Biomimetics
Flavonoids
dragon's blood
Blood
Resins

Bloch equations for proton exchange reactions in an aqueous solution

Lee, J. S., Regatte, R. R. & Jerschow, A. 2017 (Accepted/In press) In : Concepts in Magnetic Resonance Part A: Bridging Education and Research.

Research output: Research - peer-reviewArticle

Protons
Ion exchange
Catalysts
Acids
Water

Bypassing the Kohn-Sham equations with machine learning

Brockherde, F., Vogt, L., Li, L., Tuckerman, M. E., Burke, K. & Müller, K. R. Dec 1 2017 In : Nature Communications. 8, 1, 872

Research output: Research - peer-reviewArticle

Proton transfer
Malondialdehyde
Electronic structure
Density functional theory
Learning systems

Coherent Two-Quantum Two-Dimensional Electronic Spectroscopy Using Incoherent Light

Ulness, D. J. & Turner, D. B. Dec 7 2017 In : Journal of Physical Chemistry A. 121, 48, p. 9211-9220 10 p.

Research output: Research - peer-reviewArticle

Ultrafast lasers
Electron correlations
Ultrashort pulses
Laser pulses
Spectroscopy

Cohesin Loss Eliminates All Loop Domains

Rao, S. S. P. , Huang, S. C. , Glenn St Hilaire, B. , Engreitz, J. M. , Perez, E. M. , Kieffer-Kwon, K. R. , Sanborn, A. L. , Johnstone, S. E. , Bascom, G. D. , Bochkov, I. D. , Huang, X. , Shamim, M. S. , Shin, J. , Turner, D. , Ye, Z. , Omer, A. D. , Robinson, J. T. , Schlick, T. , Bernstein, B. E. , Casellas, R. & 2 others Lander, E. S. & Aiden, E. L. Oct 5 2017 In : Cell. 171, 2, p. 305-320.e24

Research output: Research - peer-reviewArticle

cohesins
Genes
Chromosomes
Histones
Histone Code

Coil-helix and sheet-helix block copolymers via macroinitiation from telechelic ROMP polymers

Elacqua, E., Croom, A., Lye, D. S. & Weck, M. 2017 (Accepted/In press) In : Journal of Polymer Science, Part A: Polymer Chemistry.

Research output: Research - peer-reviewArticle

Ring opening polymerization
Block copolymers
Polymers
Anionic polymerization
Palladium

Colloids Can “See” the Light

Hueckel, T. & Sacanna, S. Jan 12 2017 In : Chem. 2, 1, p. 17-19 3 p.

Research output: Research - peer-reviewShort survey

Functional materials
Colloids
Algae
Nanotechnology
Engineers

Computational search for aflatoxin binding proteins

Wang, Y., Liu, J., Zhang, L., He, X. & Zhang, J. Z. H. Oct 1 2017 In : Chemical Physics Letters. 685, p. 1-8 8 p.

Research output: Research - peer-reviewArticle

Aflatoxin B1
Aflatoxins
Carrier Proteins
proteins
Proteins

DDT Polymorphism and the Lethality of Crystal Forms

Yang, J., Hu, C. T., Zhu, X., Zhu, Q., Ward, M. D. & Kahr, B. 2017 (Accepted/In press) In : Angewandte Chemie - International Edition.

Research output: Research - peer-reviewArticle

DDT
Polymorphism
Crystal structure
Crystals
Ethane

Dectin 1 activation on macrophages by galectin 9 promotes pancreatic carcinoma and peritumoral immune tolerance

Daley, D. , Mani, V. R. , Mohan, N. , Akkad, N. , Ochi, A. , Heindel, D. W. , Lee, K. B. , Zambirinis, C. P. , Pandian, G. S. D. B. , Savadkar, S. , Torres-Hernandez, A. , Nayak, S. , Wang, D. , Hundeyin, M. , Diskin, B. , Aykut, B. , Werba, G. , Barilla, R. M. , Rodriguez, R. , Chang, S. & 4 others Gardner, L., Mahal, L. K., Ueberheide, B. & Miller, G. Apr 10 2017 (Accepted/In press) In : Nature Medicine.

Research output: Research - peer-reviewArticle

Galectins
Immune Tolerance
Macrophage Activation
dectin 1
Pancreatic Carcinoma

Dependence of the Linker Histone and Chromatin Condensation on the Nucleosome Environment

Perišić, O. & Schlick, T. Aug 24 2017 In : Journal of Physical Chemistry B. 121, 33, p. 7823-7832 10 p.

Research output: Research - peer-reviewArticle

chromatin
deoxyribonucleic acid
condensation
Nucleosomes
Histones

Design, synthesis and biological evaluation of quinoline derivatives as HDAC class I inhibitors

Chen, C., Hou, X., Wang, G., Pan, W., Yang, X., Zhang, Y. & Fang, H. Jun 16 2017 In : European Journal of Medicinal Chemistry. 133, p. 11-23 13 p.

Research output: Research - peer-reviewArticle

Histone Deacetylase Inhibitors
Histone Deacetylases
quinoline
Derivatives
vorinostat

Designed 3D DNA crystals

Seeman, N. C., Sha, R., Birktoft, J., Zheng, J., Liu, W., Wang, T. & Mao, C. 2017 Methods in Molecular Biology. Humana Press Inc., Vol. 1500, p. 3-10 8 p. (Methods in Molecular Biology; vol. 1500)

Research output: ResearchChapter

Nucleotide Motifs
DNA

Development of a photoswitchable antagonist of NMDA receptors

Hartrampf, F. W. W., Barber, D. M., Gottschling, K., Leippe, P., Hollmann, M. & Trauner, D. 2017 In : Tetrahedron. 73, 33, p. 4905-4912 8 p.

Research output: Research - peer-reviewArticle

Neuronal Plasticity
N-Methyl-D-Aspartate Receptors
Glycine
Libraries
Binding Sites

Diastereoselective silylene transfer reactions to chiral enantiopure alkenes: Effects of ligand size and substrate bias

Rotsides, C. Z. & Woerpel, K. A. 2017 In : Dalton Transactions. 46, 27, p. 8763-8768 6 p.

Research output: Research - peer-reviewArticle

Alkenes
Metals
Ligands
Substrates
Stereoselectivity

Dielectrophoretic assembly of dimpled colloids into open packing structures

Jia, Z., Sacanna, S. & Lee, S. S. 2017 In : Soft Matter. 13, 34, p. 5724-5730 7 p.

Research output: Research - peer-reviewArticle

colloids
assembly
Colloids
Electric fields
electric field strength

Diffusivity control of magnetic cube-particle chain by external magnetic field

Lee, S. H., Park, S. Y., Lee, Y. J., Yi, G. R., Sacanna, S. & Kim, D. H. Sep 25 2017 In : Applied Physics Letters. 111, 13, 132401

Research output: Research - peer-reviewArticle

diffusivity
magnetic fields
tuning

Direct folding simulation of helical proteins using an effective polarizable bond force field

Duan, L., Zhu, T., Ji, C., Zhang, Q. & Zhang, J. Z. H. 2017 In : Physical Chemistry Chemical Physics. 19, 23, p. 15273-15284 12 p.

Research output: Research - peer-reviewArticle

folding
field theory (physics)
proteins
simulation
Proteins

DNA nanotechnology

Seeman, N. C. & Sleiman, H. F. Nov 8 2017 In : Nature Reviews Materials. 3, 17068

Research output: Research - peer-reviewReview article

Nanotechnology
DNA
Nanostructures
Molecules
Biophysics

Double cone of eigendirections in optically active ethylenediammonium selenate crystals

Martin, A. T., Nichols, S. M., Li, S., Tan, M. & Kahr, B. 2017 In : Journal of Applied Crystallography. 50, p. 1117-1124 8 p.

Research output: Research - peer-reviewArticle

Selenic Acid
Birefringence
Cones
Crystals
Tensors

Dual optical control and mechanistic insights into photoswitchable group II and III metabotropic glutamate receptors

Levitz, J., Broichhagen, J., Leippe, P., Konrad, D., Trauner, D. & Isacoff, E. Y. Apr 25 2017 In : Proceedings of the National Academy of Sciences of the United States of America. 114, 17, p. E3546-E3554

Research output: Research - peer-reviewArticle

Metabotropic Glutamate Receptors
Light
Glutamic Acid
Pharmacology
Ligands

Dynamic Phenylalanine Clamp Interactions Define Single-Channel Polypeptide Translocation through the Anthrax Toxin Protective Antigen Channel

Ghosal, K., Colby, J. M., Das, D., Joy, S. T., Arora, P. S. & Krantz, B. A. Mar 24 2017 In : Journal of Molecular Biology. 429, 6, p. 900-910 11 p.

Research output: Research - peer-reviewArticle

Phenylalanine
Peptides
anthrax toxin
Hydrogen
Antigens
ice
liquid
temperature
melting
cooling

Effect of convection and B1 inhomogeneity on singlet relaxation experiments

Kharkov, B., Duan, X., Canary, J. W. & Jerschow, A. Nov 1 2017 In : Journal of Magnetic Resonance. 284, p. 1-7 7 p.

Research output: Research - peer-reviewArticle

inhomogeneity
convection
life (durability)
Experiments
Convection

Effect of polarization on HIV-1protease and fluoro-substituted inhibitors binding energies by large scale molecular dynamics simulations

Duan, L. L., Zhu, T., Li, Y. C., Zhang, Q. G. & Zhang, J. Z. H. Feb 3 2017 In : Scientific Reports. 7, 42223

Research output: Research - peer-reviewArticle

Binding energy
Molecular dynamics
Polarization
Computer simulation
Proteins
electric dipoles
eigenvectors
dimers
Dimers
dipoles

Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases

Chen, H., Marsiglia, W. M., Cho, M. K., Huang, Z., Deng, J., Blais, S. P., Gai, W., Bhattacharya, S., Neubert, T. A., Traaseth, N. J. & Mohammadi, M. Feb 6 2017 In : eLife. 6, e21137

Research output: Research - peer-reviewArticle

Allosteric Site
Fibroblast Growth Factor Receptors
Protein-Tyrosine Kinases
Conformations
Phosphotransferases

Enantioselective Synthesis and Racemization of (−)-Sinoracutine

Volpin, G., Vepřek, N. A., Bellan, A. B. & Trauner, D. 2017 In : Angewandte Chemie - International Edition. 56, 3, p. 897-901 5 p.

Research output: Research - peer-reviewArticle

Enantiomers
Alkaloids
Isomers
Molecules
N-methylpyrrolidine

Encapsulation of Isolated Luminophores within Supramolecular Cages

Handke, M., Adachi, T., Hu, C. & Ward, M. D. 2017 (Accepted/In press) In : Angewandte Chemie - International Edition.

Research output: Research - peer-reviewArticle

Encapsulation
Quenching
Molecules
Zeolites
Fluorescein

End-Functionalized Palladium SCS Pincer Polymers via Controlled Radical Polymerizations

Lye, D. S., Cohen, A. E., Wong, M. Z. & Weck, M. 2017 (Accepted/In press) In : Macromolecular Rapid Communications.

Research output: Research - peer-reviewArticle

Palladium
Free radical polymerization
Polymers
Polymerization
Sulfur