Research Output 1960 2018

2018

A (+)-Larixol Congener with High Affinity and Subtype Selectivity toward TRPC6

Häfner, S., Burg, F., Kannler, M., Urban, N., Mayer, P., Dietrich, A., Trauner, D., Broichhagen, J. & Schaefer, M. Jan 1 2018 (Accepted/In press) In : ChemMedChem.

Research output: Contribution to journalArticle

Computer operating procedures
Lung
Reperfusion
Edema
Ischemia

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: Chapter in Book/Report/Conference proceedingChapter

Magnetic Resonance Spectroscopy
Membrane Transport Proteins
Multiple Drug Resistance
Spectrum Analysis
Membrane Proteins
Reheat cycle
Quantum theory
Potential energy
quantum theory
Molecular dynamics

A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity

Dubay, K. H., Iwan, K., Osorio-Planes, L., Geissler, P. L., Groll, M., Trauner, D. & Broichhagen, J. Mar 16 2018 In : ACS Chemical Biology. 13, 3, p. 793-800 8 p.

Research output: Contribution to journalArticle

Carbonic Anhydrase II
Cysteine
Carbonic Anhydrases
Iron plating
Maleimides

Assessing Interactions between a Polytopic Membrane Protein and Lipid Bilayers Using Differential Scanning Calorimetry and Solid-State NMR

Banigan, J. R., Leninger, M., Her, A. S. & Traaseth, N. J. Mar 1 2018 In : Journal of Physical Chemistry B. 122, 8, p. 2314-2322 9 p.

Research output: Contribution to journalArticle

Slip forming
Water recycling
Biological membranes
Optical losses
Magic angle spinning

Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C

Williams, B. M. & Trauner, D. Mar 16 2018 In : Journal of Organic Chemistry. 83, 6, p. 3061-3068 8 p.

Research output: Contribution to journalArticle

Cycloaddition
Cyclization
Carbon

Charge splitters and charge transport junctions based on guanine quadruplexes

Sha, R., Xiang, L., Liu, C., Balaeff, A., Zhang, Y., Zhang, P., Li, Y., Beratan, D. N., Tao, N. & Seeman, N. C. Feb 26 2018 (Accepted/In press) In : Nature Nanotechnology. p. 1-6 6 p.

Research output: Contribution to journalArticle

guanines
Charge transfer
DNA
Electric charge
Carrier transport

Chiroptical structure-property relations in cyclo[18]carbon and its in silico hydrogenation products

Murphy, V. L., Farfan, C. & Kahr, B. Jan 1 2018 (Accepted/In press) In : Chirality.

Research output: Contribution to journalArticle

Optical Rotation
Hydrogenation
Computer Simulation
Carbon
Electric dipole moments

Chromatin Fiber Folding Directed by Cooperative Histone Tail Acetylation and Linker Histone Binding

Bascom, G. D. & Schlick, T. Jan 1 2018 (Accepted/In press) In : Biophysical Journal.

Research output: Contribution to journalArticle

Acetylation
Histones
Chromatin
Islands
Intergenic DNA

Conditional and Reversible Activation of Class A and B G Protein-Coupled Receptors Using Tethered Pharmacology

Podewin, T., Ast, J., Broichhagen, J., Fine, N. H. F., Nasteska, D., Leippe, P., Gailer, M., Buenaventura, T., Kanda, N., Jones, B. J., M'Kadmi, C., Baneres, J. L., Marie, J., Tomas, A., Trauner, D., Hoffmann-Röder, A. & Hodson, D. J. Feb 28 2018 In : ACS Central Science. 4, 2, p. 166-179 14 p.

Research output: Contribution to journalArticle

Peptides
Chemical activation
Proteins
Hormones
Unsaturated polymers

Construction of a DNA Origami Based Molecular Electro-optical Modulator

Wang, X., Li, C., Niu, D., Sha, R., Seeman, N. C. & Canary, J. W. Mar 14 2018 In : Nano Letters. 18, 3, p. 2112-2115 4 p.

Research output: Contribution to journalArticle

Optical signal processing
Light modulation
light modulation
Light modulators
Polyaniline

Design formalism for DNA self-assembly of polyhedral skeletons using rigid tiles

Ferrari, M. M., Cook, A., Houlihan, A., Rouleau, R., Seeman, N. C., Pangborn, G. & Ellis-Monaghan, J. Jan 31 2018 (Accepted/In press) In : Journal of Mathematical Chemistry. p. 1-28 28 p.

Research output: Contribution to journalArticle

Platonic solid
Self-assembly
Tile
Skeleton
Self assembly

FINO2 initiates ferroptosis through GPX4 inactivation and iron oxidation

Gaschler, M. M. , Andia, A. A. , Liu, H. , Csuka, J. M. , Hurlocker, B. , Vaiana, C. A. , Heindel, D. W. , Zuckerman, D. S. , Bos, P. H. , Reznik, E. , Ye, L. F. , Tyurina, Y. Y. , Lin, A. J. , Shchepinov, M. S. , Chan, A. Y. , Peguero-Pereira, E. , Fomich, M. A. , Daniels, J. D. , Bekish, A. V. , Shmanai, V. V. & 4 others Kagan, V. E., Mahal, L. K., Woerpel, K. A. & Stockwell, B. R. May 1 2018 In : Nature Chemical Biology. 14, 5, p. 507-515 9 p.

Research output: Contribution to journalArticle

Iron
Lipid Peroxides
Hydroxyl Radical
Lipid Peroxidation
Glutathione

Glycosylated Peptoid Nanosheets as a Multivalent Scaffold for Protein Recognition

Battigelli, A., Kim, J. H., Dehigaspitiya, D. C., Proulx, C., Robertson, E. J., Murray, D. J., Rad, B., Kirshenbaum, K. & Zuckermann, R. N. Mar 27 2018 In : ACS Nano. 12, 3, p. 2455-2465 11 p.

Research output: Contribution to journalArticle

Nanosheets
Scaffolds (biology)
Scaffolds
carbohydrates
proteins

Hydrophobic interactions modulate antimicrobial peptoid selectivity towards anionic lipid membranes

Andreev, K., Martynowycz, M. W., Huang, M. L., Kuzmenko, I., Bu, W., Kirshenbaum, K. & Gidalevitz, D. Jun 1 2018 In : Biochimica et Biophysica Acta - Biomembranes. 1860, 6, p. 1414-1423 10 p.

Research output: Contribution to journalArticle

Peptoids
Optical losses
Membrane Lipids
Hydrophobic and Hydrophilic Interactions
Unsaturated polymers

L-Malic acid crystallization: Polymorphism, semi-spherulites, twisting, and polarity

Yang, J., Hu, C. T., Shtukenberg, A. G., Yin, Q. & Kahr, B. Jan 1 2018 In : CrystEngComm. 20, 10, p. 1383-1389 7 p.

Research output: Contribution to journalArticle

Program debugging
spherulites
polymorphism
twisting
Polymorphism

Mix-and-Melt Colloidal Engineering

Hueckel, T. & Sacanna, S. Apr 24 2018 In : ACS Nano. 12, 4, p. 3533-3540 8 p.

Research output: Contribution to journalArticle

Orbital calculations
Common object request broker architecture (CORBA)
engineering
Rapid prototyping
Surface chemistry

Molecular dynamics based enhanced sampling of collective variables with very large time steps

Chen, P. Y. & Tuckerman, M. E. Jan 14 2018 In : Journal of Chemical Physics. 148, 2, 024106

Research output: Contribution to journalArticle

Free energy
Molecular dynamics
sampling
molecular dynamics
Sampling

Mutational signatures reveal the role of RAD52 in p53-independent p21-driven genomic instability

Galanos, P. , Pappas, G. , Polyzos, A. , Kotsinas, A. , Svolaki, I. , Giakoumakis, N. N. , Glytsou, C. , Pateras, I. S. , Swain, U. , Souliotis, V. L. , Georgakilas, A. G. , Geacintov, N. , Scorrano, L. , Lukas, C. , Lukas, J. , Livneh, Z. , Lygerou, Z. , Chowdhury, D. , Sørensen, C. S. , Bartek, J. & 1 others Gorgoulis, V. G. Mar 16 2018 In : Genome biology. 19, 1, 37

Research output: Contribution to journalArticle

Genomic Instability
repair
genomics
annealing
Nucleotides

Ni-catalyzed two-component reductive dicarbofunctionalization of alkenes via radical cyclization

Kuang, Y., Wang, X., Anthony, D. & Diao, T. Jan 1 2018 In : Chemical Communications. 54, 20, p. 2558-2561 4 p.

Research output: Contribution to journalArticle

Blowout prevention
Zinc plating
Cyclization
Organometallics
Olefins

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: Chapter in Book/Report/Conference proceedingChapter

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

On the chiroptical properties of racemic crystals

Kahr, B., Martin, A. T. & Ernst, K. H. Jan 1 2018 (Accepted/In press) In : Chirality.

Research output: Contribution to journalArticle

Circular Dichroism
Dichroism
Optical Rotation
Crystals
Coordination Complexes

Optical Control of a Biological Reaction–Diffusion System

Glock, P., Broichhagen, J., Kretschmer, S., Blumhardt, P., Mücksch, J., Trauner, D. & Schwille, P. Feb 23 2018 In : Angewandte Chemie - International Edition. 57, 9, p. 2362-2366 5 p.

Research output: Contribution to journalArticle

Unsaturated polymers
Diffusion in liquids
Escherichia coli
Peptides
Proteins

Peptide-Based Fluorescent Probes for Deacetylase and Decrotonylase Activity: Toward a General Platform for Real-Time Detection of Lysine Deacylation

Rooker, D. R., Klyubka, Y., Gautam, R., Tomat, E. & Buccella, D. Jan 1 2018 (Accepted/In press) In : ChemBioChem.

Research output: Contribution to journalArticle

Fluorescent Dyes
Lysine
NAD
Peptides
Physiological Phenomena

Polarization in France

Kahr, B. Apr 1 2018 In : Chirality. 30, 4, p. 351-368 18 p.

Research output: Contribution to journalArticle

Vlasov equation
France
Polarization
Light
Search Engine

Preface: Special Topic on Nuclear Quantum Effects

Tuckerman, M. & Ceperley, D. Mar 14 2018 In : Journal of Chemical Physics. 148, 10, 102001

Research output: Contribution to journalArticle

Quantum electronics
quantum electronics
Quantum theory
Physics
quantum mechanics

Reversible optical control of F1Fo-ATP synthase using photoswitchable inhibitors

Eisel, B., Hartrampf, F. W. W., Meier, T. & Trauner, D. Feb 1 2018 In : FEBS Letters. 592, 3, p. 343-355 13 p.

Research output: Contribution to journalLetter

Lattice vibrations
Polyphenols
Adenosine Triphosphate
Yarrowia
Yeasts

Screw Dislocation Generation by Inclusions in Molecular Crystals

Zhong, X., Shtukenberg, A. G., Hueckel, T., Kahr, B. & Ward, M. D. Jan 3 2018 In : Crystal Growth and Design. 18, 1, p. 318-323 6 p.

Research output: Contribution to journalArticle

Molecular crystals
Screw dislocations
screw dislocations
Dislocations (crystals)
Cystines

Selective Synthesis of Divergolide i

Terwilliger, D. W. & Trauner, D. Feb 28 2018 In : Journal of the American Chemical Society. 140, 8, p. 2748-2751 4 p.

Research output: Contribution to journalArticle

Rifabutin
Mine ventilation
Naphthoquinones
Biomimetics
Cyclization

Self-organization in dipolar cube fluids constrained by competing anisotropies

Rossi, L., Donaldson, J. G., Meijer, J. M., Petukhov, A. V., Kleckner, D., Kantorovich, S. S., Irvine, W. T. M., Philipse, A. P. & Sacanna, S. Jan 1 2018 In : Soft Matter. 14, 7, p. 1080-1087 8 p.

Research output: Contribution to journalArticle

Dipole moment
Anisotropy
anisotropy
Fluids
fluids
Reactor startup
Nucleosomes
DNA Repair
Fault tolerance
Genome

Teaching an old scaffold new recognition tricks: Oligopyrrolamide antagonists of IAPP aggregation

Kumar, S., Vogel, M. C. & Hamilton, A. D. Jan 1 2018 In : Organic and Biomolecular Chemistry. 16, 5, p. 733-741 9 p.

Research output: Contribution to journalArticle

Islet Amyloid Polypeptide
polypeptides
Scaffolds
Teaching
education

The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates

Powers, A., Scribano, Y., Lauvergnat, D., Mebe, E., Benoit, D. M. & Bačić, Z. Apr 14 2018 In : Journal of Chemical Physics. 148, 14, 144304

Research output: Contribution to journalArticle

Intake systems
clathrates
Vibrational spectra
Hydrates
hydrates

Toward (-)-Enterocin: An Improved Cuprate Barbier Protocol to Overcome Strain and Sterical Hindrance

Rizzo, A. & Trauner, D. Apr 6 2018 In : Organic Letters. 20, 7, p. 1841-1844 4 p.

Research output: Contribution to journalArticle

Biomimetics
Streptomyces
Biological Products
cuprates
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: Contribution to journalArticle

Tanning
Skin
Nuclear magnetic resonance
Tannins
Leather

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: Contribution to journalArticle

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: Contribution to journalArticle

electric dipoles
assemblies
eigenvectors
dipoles
Hamiltonians

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: Contribution to journalArticle

Bearings (structural)
Alkaloids
Cyclization
Alkenes
Precious metals

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: Contribution to journalArticle

chelation
Chelation
Ketones
ketones
halides

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: Contribution to journalArticle

DNA
Crystals
Coloring Agents
Dyes
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: Contribution to journalArticle

Carbonyl compounds
Reaction rates
Bearings (structural)
Aldehydes
Esters

An efficient method for computing excess free energy of liquid

Song, J., Qiu, L. & Zhang, J. Z. H. Nov 21 2017 (Accepted/In press) In : Science China Chemistry. p. 1-6 6 p.

Research output: Contribution to journalArticle

Perturbation techniques
Free energy
Energy efficiency
Molecular dynamics
Molecules

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: Contribution to journalArticle

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: Contribution to journalArticle

Semiconducting organic compounds
DNA
Crystals
Aniline
Polyaniline

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: Contribution to journalArticle

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: Contribution to journalArticle

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: Contribution to journalArticle

Systems Biology
Melanoma
Neural Cell Adhesion Molecule L1
Neoplasm Metastasis
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: Contribution to journalArticle

Free energy
sampling
Sampling
Importance sampling
optimization