Research Output 1960 2017

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

Skin
Tanning
Dapsone
Nuclear magnetic resonance
Acyclic Acids

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

Block copolymers
Cetomacrogol
Atom transfer radical polymerization
Ring opening polymerization
Automation
dipoles
eigenvectors
assemblies
assembly
energy

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
Anthralin
Blood Flow Velocity

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

Crystals
Carcinoid Tumor
DNA
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
Feline Sarcoma Viruses
Common Bile Duct Diseases
Chronic Mucocutaneous Candidiasis
Pneumocystis Pneumonia

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

DNA
Crystals
Carcinoid Tumor
Semiconducting organic compounds
Bacillus anthracis

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

Spontaneous Fractures
Breast Cyst
Galantamine
Scaffolds

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
Neoplasm Metastasis
Neural Cell Adhesion Molecule L1
Glycomics
model

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: Contribution to journalArticle

Oxidation
Metals
Avian Leukosis
Nickel
Carbon
Block copolymers
Cetomacrogol
Ring opening polymerization
Automation
Anionic polymerization

Colloids Can “See” the Light

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

Research output: Contribution to journalShort survey

Functional materials
Algae
Colloids
Nanotechnology
Engineers
Isomers

DDT Polymorphism and the Lethality of Crystal Forms

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

Research output: Contribution to journalArticle

Polymorphism
Crystal structure
Cytochrome c Group
Erythrocyte Volume
Insecticides

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 In : Nature Medicine.

Research output: Contribution to journalArticle

Galectins
Immune Tolerance
Macrophage Activation
Adenocarcinoma
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: Contribution to journalArticle

deoxyribonucleic acid
DNA
chromatin
interactions
condensation

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: Contribution to journalArticle

Histone Deacetylase Inhibitors
Histone Deacetylases
In Vitro Techniques
Enzyme Assays
Flow Cytometry

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: Chapter in Book/Report/Conference proceedingChapter

Nucleotide Motifs
DNA

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: Contribution to journalArticle

Stereoselectivity
Afferent Loop Syndrome
Dealkylation
Blood Flow Velocity
Substrates

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: Contribution to journalArticle

Birefringence
Selenic Acid
Carcinoid Tumor
Tensors
Enzyme Reactivators

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: Contribution to journalArticle

Anthrax
Phenylalanine
Antigens
Peptides
Hydrogen

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: Contribution to journalArticle

Polarization
Nerve Crush
Cholesterol
Common Bile Duct Diseases
Hemerythrin
eigenvectors
dimers
Filariasis
dipoles
water

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: Contribution to journalArticle

Allosteric Site
Fibroblast Growth Factor Receptors
Protein-Tyrosine Kinases
Birth Injuries
Phosphotransferases

End-Functionalized Palladium SCS Pincer Polymers via Controlled Radical Polymerizations

Lye, D. S., Cohen, A. E., Wong, M. Z. & Weck, M. 2017 In : Macromolecular Rapid Communications.

Research output: Contribution to journalArticle

Polymerization
Polymers
Sulfur
Inborn Errors Amino Acid Metabolism
Molar mass

Energy transfer: Resonance is the key for coherence

Turner, D. B. Feb 21 2017 In : Nature Chemistry. 9, 3, p. 196-197 2 p.

Research output: Contribution to journalShort survey

Energy transfer

Evaluation of the Coupled Two-Dimensional Main Chain Torsional Potential in Modeling Intrinsically Disordered Proteins

Gao, Y., Zhang, C., Zhang, J. Z. H. & Mei, Y. Feb 27 2017 In : Journal of Chemical Information and Modeling. 57, 2, p. 267-274 8 p.

Research output: Contribution to journalArticle

simulation
interaction
Proteins
consensus
water

Facilitation of DNA self-assembly by relieving the torsional strains between building blocks

Shen, W., Liu, Q., Ding, B., Zhu, C., Shen, Z. & Seeman, N. C. 2017 In : Organic and Biomolecular Chemistry. 15, 2, p. 465-469 5 p.

Research output: Contribution to journalArticle

self assembly
deoxyribonucleic acid
Surgical Hemostasis
DNA
Carbamoyl-Phosphate Synthase (Glutamine-Hydrolyzing)

Fragment Quantum Mechanical Method for Large-Sized Ion-Water Clusters

Liu, J., Qi, L. W., Zhang, J. Z. H. & He, X. May 9 2017 In : Journal of Chemical Theory and Computation. 13, 5, p. 2021-2034 14 p.

Research output: Contribution to journalArticle

water
Water
ions
fractionation
Fractionation

Generation effect of Newkome dendrimers on cellular uptake

Kaufman, E. A., Tarallo, R., Falanga, A., Galdiero, S. & Weck, M. Mar 24 2017 In : Polymer (United Kingdom). 113, p. 67-73 7 p.

Research output: Contribution to journalArticle

Dendrimers
Scaffolds (biology)
Peptides
Scaffolds
Glycoproteins

Guiding microscale swimmers using teardrop-shaped posts

Davies Wykes, M. S., Zhong, X., Tong, J., Adachi, T., Liu, Y., Ristroph, L., Ward, M. D., Shelley, M. J. & Zhang, J. 2017 In : Soft Matter. 13, 27, p. 4681-4688 8 p.

Research output: Contribution to journalArticle

microbalances
rods
Alcuronium
Flupenthixol
chemical fuels

Importance of a Fully Anharmonic Treatment of Equilibrium Isotope Fractionation Properties of Dissolved Ionic Species As Evidenced by Li+(aq)

Dupuis, R., Benoit, M., Tuckerman, M. E. & Méheut, M. Jul 18 2017 In : Accounts of Chemical Research. 50, 7, p. 1597-1605 9 p.

Research output: Contribution to journalArticle

Isotopes
Fractionation
Community Psychiatry
Lithium
Polymers

Improving scoring-docking-screening powers of protein–ligand scoring functions using random forest

Wang, C. & Zhang, Y. Jan 30 2017 In : Journal of Computational Chemistry. 38, 3, p. 169-177 9 p.

Research output: Contribution to journalArticle

Scoring
Ligands
Proteins
Eosinophil Chemotactic Factors
Random forest

Interaction entropy for protein-protein binding

Sun, Z., Yan, Y. N., Yang, M. & Zhang, J. Z. H. Mar 28 2017 In : Journal of Chemical Physics. 146, 12, 124124

Research output: Contribution to journalArticle

proteins
interactions
Hemerythrin
Community Psychiatry
Hemophilia A

Kilobase Pair Chromatin Fiber Contacts Promoted by Living-System-Like DNA Linker Length Distributions and Nucleosome Depletion

Bascom, G. D., Kim, T. & Schlick, T. Apr 20 2017 In : Journal of Physical Chemistry B. 121, 15, p. 3882-3894 13 p.

Research output: Contribution to journalArticle

fibers
Fibers
Abnormal Erythrocytes
genes
chromatin

Magnetization transfer in a partly deuterated lyotropic liquid crystal by single- and dual-frequency RF irradiations

Lee, J. S., Regatte, R. R. & Jerschow, A. Aug 1 2017 In : Journal of Magnetic Resonance. 281, p. 141-150 10 p.

Research output: Contribution to journalArticle

magnetization
Magnetization
Water
irradiation
water

Mesoscale Simulations of Anion Exchange Membranes Based on Quaternary Ammonium Tethered Triblock Copolymers

Sepehr, F., Liu, H., Luo, X., Bae, C., Tuckerman, M. E., Hickner, M. A. & Paddison, S. J. Jun 13 2017 In : Macromolecules. 50, 11, p. 4397-4405 9 p.

Research output: Contribution to journalArticle

Membranes
Bronchiolo-Alveolar Adenocarcinoma
Hydration
Ion exchange
Negative ions

Modeling and design of peptidomimetics to modulate protein–protein interactions

Watkins, A. M., Bonneau, R. & Arora, P. S. 2017 Methods in Molecular Biology. Humana Press Inc., Vol. 1561, p. 291-307 17 p. (Methods in Molecular Biology; vol. 1561)

Research output: Chapter in Book/Report/Conference proceedingChapter

Peptidomimetics
Proteins
Secondary Protein Structure
Tertiary Protein Structure
Software

Multiscale Visualization and Quantitative Analysis of l -Cystine Crystal Dissolution

Adobes-Vidal, M., Shtukenberg, A. G., Ward, M. D. & Unwin, P. R. Apr 5 2017 In : Crystal Growth and Design. 17, 4, p. 1766-1774 9 p.

Research output: Contribution to journalArticle

Flicker Fusion
Dissolution
dissolving
Cystines
Carcinoid Tumor

Ni(I)-Catalyzed Reductive Cyclization of 1,6-Dienes: Mechanism-Controlled trans Selectivity

Kuang, Y., Anthony, D., Katigbak, J., Marrucci, F., Humagain, S. & Diao, T. Aug 10 2017 In : Chem. 3, 2, p. 268-280 13 p.

Research output: Contribution to journalArticle

Cyclization
drug
Cytochromes c'
Oxidation-Reduction
ligand

Nickel-Catalyzed Reductive Cycloisomerization of Enynes with CO2

Diccianni, J. B., Heitmann, T. & Diao, T. Jul 7 2017 In : Journal of Organic Chemistry. 82, 13, p. 6895-6903 9 p.

Research output: Contribution to journalArticle

Regioselectivity
Avian Leukosis
Cytochromes c'
Latvia
Cerebellar Ataxia
Nucleosomes
Benzo(a)pyrene
Acetylation
Histones
Lysine
Benzo(a)pyrene
DNA Repair
DNA
Proteins
Repair

Performance Comparison of Systematic Methods for Rigorous Definition of Coarse-Grained Sites of Large Biomolecules

Zhang, Y., Cao, Z., Zhang, J. Z. & Xia, F. Feb 27 2017 In : Journal of Chemical Information and Modeling. 57, 2, p. 214-222 9 p.

Research output: Contribution to journalArticle

fluctuation
optimization
method
Basement Membrane
Spontaneous Fractures

Powder diffraction and crystal structure prediction identify four new coumarin polymorphs

Shtukenberg, A. G., Zhu, Q., Carter, D. J., Vogt, L., Hoja, J., Schneider, E., Song, H., Pokroy, B., Polishchuk, I., Tkatchenko, A., Oganov, A. R., Rohl, A. L., Tuckerman, M. E. & Kahr, B. 2017 In : Chemical Science. 8, 7, p. 4926-4940 15 p.

Research output: Contribution to journalArticle

Cytochrome c Group
Erythrocyte Volume
Homeopathic Pharmacopoeias
Hemerythrin
Bibliography of Medicine

Preliminary study of a novel transfection modality for in vivo siRNA delivery to vocal fold fibroblasts

Kraja, I., Bing, R., Hiwatashi, N., Rousseau, B., Nalband, D., Kirshenbaum, K. & Branski, R. C. Jul 1 2017 In : Laryngoscope. 127, 7, p. E231-E237

Research output: Contribution to journalArticle

Vocal Cords
Small Interfering RNA
Transfection
Fibroblasts
Genes

Preparation of Colloidal Organosilica Spheres through Spontaneous Emulsification

Van Der Wel, C., Bhan, R. K., Verweij, R. W., Frijters, H. C., Gong, Z., Hollingsworth, A. D., Sacanna, S. & Kraft, D. J. Aug 22 2017 In : Langmuir. 33, 33, p. 8174-8180 7 p.

Research output: Contribution to journalArticle

Emulsification
Dental Staff
Monomers
monomers
preparation