Research Output 1970 2020

2017

Terahertz spectroscopy of vibrational anharmonicity in crystalline γ-aminobutyric acid

Dampf, S. J. & Korter, T. M., Oct 12 2017, 2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017. IEEE Computer Society, 8067029

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Terahertz spectroscopy
Potential energy surfaces
Crystalline materials
Specific heat
Acids
338 Citations (Scopus)

The 2017 terahertz science and technology roadmap

Dhillon, S. S., Vitiello, M. S., Linfield, E. H., Davies, A. G., Hoffmann, M. C., Booske, J., Paoloni, C., Gensch, M., Weightman, P., Williams, G. P., Castro-Camus, E., Cumming, D. R. S., Simoens, F., Escorcia-Carranza, I., Grant, J., Lucyszyn, S., Kuwata-Gonokami, M., Konishi, K., Koch, M., Schmuttenmaer, C. A. & 26 others, Cocker, T. L., Huber, R., Markelz, A. G., Taylor, Z. D., Wallace, V. P., Axel Zeitler, J., Sibik, J., Korter, T. M., Ellison, B., Rea, S., Goldsmith, P., Cooper, K. B., Appleby, R., Pardo, D., Huggard, P. G., Krozer, V., Shams, H., Fice, M., Renaud, C., Seeds, A., Stöhr, A., Naftaly, M., Ridler, N., Clarke, R., Cunningham, J. E. & Johnston, M. B., Feb 2 2017, In : Journal of Physics D: Applied Physics. 50, 4, 043001.

Research output: Contribution to journalReview article

Radiation
emerging
airport security
radiation
Airport security
18 Citations (Scopus)

The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation

Ruggiero, M. T., Krynski, M., Kissi, E. O., Sibik, J., Markl, D., Tan, N. Y., Arslanov, D., Van Der Zande, W., Redlich, B., Korter, T. M., Grohganz, H., Löbmann, K., Rades, T., Elliott, S. R. & Zeitler, J. A., Jan 1 2017, In : Physical Chemistry Chemical Physics. 19, 44, p. 30039-30047 9 p.

Research output: Contribution to journalArticle

Crystallization
Potential energy
potential energy
Potential energy surfaces
crystallization
Disclosure
Neoplasms
Inositol Polyphosphate 5-Phosphatases
tryptamine
1 Citation (Scopus)

Vibrational and energetic analysis of sorbitol crystal forms

Dierks, T. M. & Korter, T. M., Oct 12 2017, 2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017. IEEE Computer Society, 8067032

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Crystals
Polymorphism
Pyridine
X ray powder diffraction
Drug products

Vitamin B12 and drug development

Workinger, J. L. & Doyle, R. P., Jan 1 2017, Vitamin B12: Advances and Insights. CRC Press, p. 338-364 27 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

Vitamins
vitamin B12
Vitamin B 12
methylmalonyl-CoA mutase
Methylmalonyl-CoA Mutase
21 Citations (Scopus)

Wavelength-Resolved Photon Fluxes of Indoor Light Sources: Implications for HOx Production

Kowal, S. F., Allen, S. R. & Kahan, T. F., Sep 19 2017, In : Environmental Science and Technology. 51, 18, p. 10423-10430 8 p.

Research output: Contribution to journalArticle

Photolysis
Light sources
Photons
Fluxes
photolysis
25 Citations (Scopus)

Zinc-binding structure of a catalytic amyloid from solid-state NMR

Lee, M., Wang, T., Makhylnets, O., Wu, Y., Polizzi, N. F., Wu, H., Gosavi, P. M., Stöhr, J., Korendovych, I., Degrado, W. F. & Hong, M., Jun 13 2017, In : Proceedings of the National Academy of Sciences of the United States of America. 114, 24, p. 6191-6196 6 p.

Research output: Contribution to journalArticle

Amyloid
Zinc
Histidine
Metals
Ligands
2016
11 Citations (Scopus)

Alkylation of Sulfonamides with Trichloroacetimidates under Thermal Conditions

Wallach, D. R. & Chisholm, J. D., Sep 2 2016, In : Journal of Organic Chemistry. 81, 17, p. 8035-8042 8 p.

Research output: Contribution to journalArticle

Sulfonamides
Alkylation
Alkylating Agents
Toluene
Transition metals
12 Citations (Scopus)

Anthracene and pyrene photolysis kinetics in aqueous, organic, and mixed aqueous-organic phases

Grossman, J. N., Stern, A. P., Kirich, M. L. & Kahan, T. F., Mar 1 2016, In : Atmospheric Environment (1967). 128, p. 158-164 7 p.

Research output: Contribution to journalArticle

Anthracene
Pyrene
Photolysis
Polycyclic aromatic hydrocarbons
photolysis
4 Citations (Scopus)

Chemical Signals of Synthetic Disaccharide Derivatives Dominate Rhamnolipids at Controlling Multiple Bacterial Activities

Singh, N., Shetye, G. S., Zheng, H., Sun, J. & Luk, Y. Y., Jan 1 2016, In : ChemBioChem. 17, 1, p. 102-111 10 p.

Research output: Contribution to journalArticle

Disaccharides
Biofilms
Derivatives
Bacterial Adhesion
Molecules
Intrinsic Factor
Vitamin B 12
Transcobalamins
Endocytosis
Neoplasms
2 Citations (Scopus)
factorization
configuration interaction
operators
projection
electrons
14 Citations (Scopus)

Design of Catalytic Peptides and Proteins Through Rational and Combinatorial Approaches

Maeda, Y., Makhylnets, O., Matsui, H. & Korendovych, I., Jul 11 2016, In : Annual Review of Biomedical Engineering. 18, p. 311-328 18 p.

Research output: Contribution to journalReview article

Peptides
Proteins
Functional materials
Catalyst activity
8 Citations (Scopus)

Development of the Multicomponent Coupled-Cluster Theory for Investigation of Multiexcitonic Interactions

Ellis, B. H., Aggarwal, S. & Chakraborty, A., Jan 12 2016, In : Journal of Chemical Theory and Computation. 12, 1, p. 188-200 13 p.

Research output: Contribution to journalArticle

Electrons
interactions
Wave functions
electrons
configuration interaction
4 Citations (Scopus)

Enzyme design: Functional Frankensteins

Makhylnets, O. & Korendovych, I., Aug 24 2016, In : Nature Chemistry. 8, 9, p. 823-824 2 p.

Research output: Contribution to journalShort survey

X ray crystallography
Esterases
Enzymes
Kinetics
Biocatalysis
8 Citations (Scopus)

Evaluation of Range-Corrected Density Functionals for the Simulation of Pyridinium-Containing Molecular Crystals

Ruggiero, M. T., Gooch, J., Zubieta, J. A. & Korter, T. M., Feb 18 2016, In : Journal of Physical Chemistry A. 120, 6, p. 939-947 9 p.

Research output: Contribution to journalArticle

Molecular crystals
Potential energy surfaces
Gaging
functionals
Density functional theory
14 Citations (Scopus)

Examination of l -Glutamic Acid Polymorphs by Solid-State Density Functional Theory and Terahertz Spectroscopy

Ruggiero, M. T., Sibik, J., Zeitler, J. A. & Korter, T. M., Sep 29 2016, In : Journal of Physical Chemistry A. 120, 38, p. 7490-7495 6 p.

Research output: Contribution to journalArticle

Terahertz spectroscopy
glutamic acid
Polymorphism
Density functional theory
Glutamic Acid
12 Citations (Scopus)

Formation of DPM ethers using O-diphenylmethyl trichloroacetimidate under thermal conditions

Howard, K. T., Duffy, B. C., Linaburg, M. R. & Chisholm, J. D., Feb 7 2016, In : Organic and Biomolecular Chemistry. 14, 5, p. 1623-1628 6 p.

Research output: Contribution to journalArticle

Ethers
ethers
alcohols
Hot Temperature
Alcohols
2 Citations (Scopus)

Functionalization of boron nitride nanosheets (BNNSs) by organic polymers: formation of substituted polythiophene–BNNS structures

Petrelli, C., Goos, A., Ruhlandt, K. & Spencer, J. T., May 1 2016, In : Journal of Materials Science. 51, 10, p. 4952-4962 11 p.

Research output: Contribution to journalArticle

Organic polymers
Boron nitride
Nanosheets
Thiophenes
Thiophene
9 Citations (Scopus)

Ghrelin octanoylation is completely stabilized in biological samples by alkyl fluorophosphonates

McGovern-Gooch, K. R., Rodrigues, T., Darling, J. E., Sieburg, M. A., Abizaid, A. & Hougland, J. L., Nov 1 2016, In : Endocrinology. 157, 11, p. 4330-4338 9 p.

Research output: Contribution to journalArticle

Ghrelin
Serine
Acyltransferases
Insect Proteins
Physiological Phenomena
3 Citations (Scopus)

Hydroxyl radical formation from bacteria-assisted Fenton chemistry at neutral pH under environmentally relevant conditions

Grossman, J. N. & Kahan, T. F., 2016, In : Environmental Chemistry. 13, 4, p. 757-766 10 p.

Research output: Contribution to journalArticle

hydroxyl radical
Hydroxyl Radical
Bacteria
Iron
bacterium
14 Citations (Scopus)
Lanthanoid Series Elements
Hydrothermal synthesis
Rare earth elements
Metals
Ligands
15 Citations (Scopus)

Lewis Acid Catalyzed Displacement of Trichloroacetimidates in the Synthesis of Functionalized Pyrroloindolines

Adhikari, A. A. & Chisholm, J. D., Aug 19 2016, In : Organic Letters. 18, 16, p. 4100-4103 4 p.

Research output: Contribution to journalArticle

Lewis Acids
Aniline Compounds
Carbon
Nucleophiles
acids
23 Citations (Scopus)

Linkage-specific conformational ensembles of non-canonical polyubiquitin chains

Castaneda, C., Chaturvedi, A., Camara, C. M., Curtis, J. E., Krueger, S. & Fushman, D., 2016, In : Physical Chemistry Chemical Physics. 18, 8, p. 5771-5788 18 p.

Research output: Contribution to journalArticle

Polyubiquitin
linkages
Lysine
Conformations
Crystal structure
20 Citations (Scopus)

Linkage via K27 Bestows Ubiquitin Chains with Unique Properties among Polyubiquitins

Castaneda, C., Dixon, E. K., Walker, O., Chaturvedi, A., Nakasone, M. A., Curtis, J. E., Reed, M. R., Krueger, S., Cropp, T. A. & Fushman, D., Mar 1 2016, In : Structure. 24, 3, p. 423-436 14 p.

Research output: Contribution to journalArticle

Polyubiquitin
Ubiquitin
Lysine
Ubiquitins
Small Angle Scattering
23 Citations (Scopus)

Lipid phosphatase SHIP2 functions as oncogene in colorectal cancer by regulating PKB activation

Hoekstra, E., Das, A. M., Willemsen, M., Swets, M., Kuppen, P. J. K., van der Woude, C. J., Bruno, M. J., Shah, J. P., ten Hagen, T. L. M., Chisholm, J. D., Kerr, W. G., Peppelenbosch, M. P. & Fuhler, G. M., 2016, In : Oncotarget. 7, 45, p. 73525-73540 16 p.

Research output: Contribution to journalArticle

Oncogenes
Phosphoric Monoester Hydrolases
Colorectal Neoplasms
Lipids
Phosphotransferases
3 Citations (Scopus)

Luminescent solar concentrator-based photovoltaic reconfiguration for hybrid and plug-in electric vehicles

Ding, C., Li, H., Zheng, W., Wang, Y., Chang, N. & Lin, X., Nov 22 2016, Proceedings of the 34th IEEE International Conference on Computer Design, ICCD 2016. Institute of Electrical and Electronics Engineers Inc., p. 281-288 8 p. 7753291

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Solar concentrators
Carbon footprint
Charging (batteries)
Mountings
Nanostructured materials

Measuring protein elasticity with terahertz spectroscopy

Ruggiero, M. T. & Korter, T. M., Nov 28 2016, 41st International Conference on Infrared, Millimeter and Terahertz Waves, IRMMW-THz 2016. IEEE Computer Society, Vol. 2016-November. 7758346

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Terahertz spectroscopy
Polypeptides
Elasticity
Proteins
Biopolymers
16 Citations (Scopus)

Measuring the Elasticity of Poly-l-Proline Helices with Terahertz Spectroscopy

Ruggiero, M. T., Sibik, J., Orlando, R., Zeitler, J. A. & Korter, T. M., 2016, (Accepted/In press) In : Angewandte Chemie - International Edition.

Research output: Contribution to journalArticle

Terahertz spectroscopy
Proline
Elasticity
Elastic moduli
Rigidity
5 Citations (Scopus)

Metal-organodiphosphonate chemistry: Hydrothermal syntheses and structures of Ca(II) coordination polymers with xylyldiphosphonate ligands

Lopez-Diaz, V., Smith Pellizerri, T. M., Lijewski, M. D., Ruhlandt, K. & Zubieta, J. A., Feb 24 2016, In : Inorganica Chimica Acta. 441, p. 109-116 8 p.

Research output: Contribution to journalArticle

Organophosphonates
Hydrothermal synthesis
Diphosphonates
coordination polymers
Hydrogen bonds

Methods and Systems for Zinc Delivery Using Intrinsic Factor or Haptocorrin

Doyle, R., Mar 24 2016, Patent No. 9,505,825

Research output: Patent

Transcobalamins
Intrinsic Factor
Zinc
Phytic Acid
Binding Sites
1 Citation (Scopus)

Minimalist Design of Allosterically Regulated Protein Catalysts

Makhylnets, O. & Korendovych, I., 2016, (Accepted/In press) In : Methods in Enzymology.

Research output: Contribution to journalArticle

Catalysts
Proteins
Catalyst selectivity
Catalysis
Computer Simulation
7 Citations (Scopus)

Minimalist IR and fluorescence probes of protein function

Gosavi, P. M. & Korendovych, I., Oct 1 2016, In : Current Opinion in Chemical Biology. 34, p. 103-109 7 p.

Research output: Contribution to journalReview article

Fluorescence
Fluorescence Spectrometry
Spectrum Analysis
Proteins
Peptides
3 Citations (Scopus)

Noninvasive in vivo plasma volume and hematocrit in humans: Observing long-term baseline behavior to establish homeostasis for intravascular volume and composition

Dent, P., Deng, B., Goodisman, J., Peterson, C. M., Narsipur, S. & Chaiken, J., 2016, Biophotonics: Photonic Solutions for Better Health Care V. SPIE, Vol. 9887. 98871S

Research output: Chapter in Book/Report/Conference proceedingConference contribution

hematocrit
homeostasis
Homeostasis
Baseline
Plasma
9 Citations (Scopus)

Optical Autocatalysis Establishes Novel Spatial Dynamics in Phase Separation of Polymer Blends during Photocuring

Biria, S., Malley, P. P. A., Kahan, T. F. & Hosein, I. D., Nov 15 2016, In : ACS Macro Letters. 5, 11, p. 1237-1241 5 p.

Research output: Contribution to journalArticle

Polymer blends
Phase separation
Polymers
Spinodal decomposition
Dynamical systems
5 Citations (Scopus)

Origins of the relative stabilities of anhydrous and hydrated D-mannitol crystals

Dierks, T. M. & Korter, T. M., Aug 25 2016, In : Journal of Physical Chemistry A. 120, 33, p. 6629-6636 8 p.

Research output: Contribution to journalArticle

mannitol
Mannitol
Polymorphism
thermodynamics
Crystals
6 Citations (Scopus)

Photolysis Kinetics of Toluene, Ethylbenzene, and Xylenes at Ice Surfaces

Stathis, A. A., Hendrickson-Stives, A. K. & Kahan, T. F., Sep 1 2016, In : Journal of Physical Chemistry A. 120, 34, p. 6693-6697 5 p.

Research output: Contribution to journalArticle

Xylenes
Photolysis
Ice
Toluene
xylene
3 Citations (Scopus)

Preparation and Applications of 4-Methoxybenzyl Esters in Organic Synthesis

Howard, K. T. & Chisholm, J. D., Jan 2 2016, In : Organic Preparations and Procedures International. 48, 1, p. 1-36 36 p.

Research output: Contribution to journalArticle

Esters
11 Citations (Scopus)

Probing Bioluminescence Resonance Energy Transfer in Quantum Rod-Luciferase Nanoconjugates

Alam, R., Karam, L. M., Doane, T. L., Coopersmith, K., Fontaine, D. M., Branchini, B. R. & Maye, M. M., Feb 23 2016, In : ACS Nano. 10, 2, p. 1969-1977 9 p.

Research output: Contribution to journalArticle

Nanoconjugates
Bioluminescence
bioluminescence
Luciferases
Energy transfer
6 Citations (Scopus)

Progress in small molecule and biologic therapeutics targeting ghrelin signaling

McGovern, K. R., Darling, J. E. & Hougland, J. L., Apr 1 2016, In : Mini-Reviews in Medicinal Chemistry. 16, 6, p. 465-480 16 p.

Research output: Contribution to journalArticle

Ghrelin
Therapeutics
Ghrelin Receptor
Physiological Phenomena
Prader-Willi Syndrome
4 Citations (Scopus)

Quantification of alginate by aggregation induced by calcium ions and fluorescent polycations

Zheng, H., Korendovych, I. & Luk, Y. Y., Jan 1 2016, In : Analytical Biochemistry. 492, p. 76-81 6 p.

Research output: Contribution to journalArticle

Agglomeration
Ions
Calcium
Polysaccharides
Fluorescent Dyes

Rate Constants and Sticking Coefficients for H2 and He Obtained by Analysis of Agglomeration in a Nozzle Beam

Goodisman, J. & Chaiken, J., Sep 1 2016, In : International Journal of Chemical Kinetics. 48, 9, p. 513-522 10 p.

Research output: Contribution to journalArticle

agglomeration
Coalescence
Particle Size
coalescing
nozzles
6 Citations (Scopus)

Rational Design of Two-Dimensional Bimetallic Wave Structures from Zigzag Chains via Site-Specific Coordination around the 2,6-Naphthalenediphosphonic Acid Motif

Bulut, A., Zorlu, Y., Wörle, M., Paşa, S., Kurt, H., Zubieta, J. A., Beckmann, J. & Yücesan, G., 2016, In : European Journal of Inorganic Chemistry. 2016, 21, p. 3506-3512 7 p.

Research output: Contribution to journalArticle

Organophosphonates
Acids
Copper
Protonation
Oxygen
4 Citations (Scopus)

Shape Matters: Effect of 1D, 2D, and 3D Isovolumetric Quantum Confinement in Semiconductor Nanoparticles

Scher, J. A., Elward, J. M. & Chakraborty, A., Nov 3 2016, In : Journal of Physical Chemistry C. 120, 43, p. 24999-25009 11 p.

Research output: Contribution to journalArticle

Quantum confinement
Semiconductor materials
Nanoparticles
nanoparticles
Binding energy
30 Citations (Scopus)

Short Self-Assembling Peptides Are Able to Bind to Copper and Activate Oxygen

Makhylnets, O., Gosavi, P. M. & Korendovych, I., 2016, In : Angewandte Chemie - International Edition. 55, 31, p. 9017-9020 4 p.

Research output: Contribution to journalArticle

Peptides
Copper
Oxygen
Oxidation
Catalysts
8 Citations (Scopus)

Single-Crystal X-ray Diffraction Structure of the Stable Enol Tautomer Polymorph of Barbituric Acid at 224 and 95K

Marshall, M. G., Lopez-Diaz, V. & Hudson, B. S., Jan 22 2016, In : Angewandte Chemie (International Edition in English). 55, 4, p. 1309-1312 4 p.

Research output: Contribution to journalArticle

Polymorphism
Single crystals
X ray diffraction
Powders
Crystals
7 Citations (Scopus)

Solution Structure and Constrained Molecular Dynamics Study of Vitamin B12 Conjugates of the Anorectic Peptide PYY(3-36)

Henry, K. E., Kerwood, D. J., Allis, D. G., Workinger, J. L., Bonaccorso, R. L., Holz, G. G., Roth, C. L., Zubieta, J. A. & Doyle, R. P., 2016, (Accepted/In press) In : ChemMedChem.

Research output: Contribution to journalArticle

Appetite Depressants
Molecular Dynamics Simulation
Vitamin B 12
Molecular dynamics
Peptides
4 Citations (Scopus)

The crucial role of water in shaping low-barrier hydrogen bonds

Ruggiero, M. T. & Korter, T. M., 2016, In : Physical Chemistry Chemical Physics. 18, 7, p. 5521-5528 8 p.

Research output: Contribution to journalArticle

Hydrogen bonds
Metals
hydrogen bonds
Water
maleates
6 Citations (Scopus)

The Lysosomal Protein Saposin B Binds Chloroquine

Huta, B. P., Mehlenbacher, M. R., Nie, Y., Lai, X., Zubieta, C., Bou-Abdallah, F. & Doyle, R. P., Feb 4 2016, In : ChemMedChem. 11, 3, p. 277-282 6 p.

Research output: Contribution to journalArticle

Saposins
Chloroquine
Toxicity
Lipids
lysosomal proteins