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Showing 25 to 36 of 59 entries
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Comparison of large networks with sub-sampling strategies.

Scientific reports

Ali W, Wegner AE, Gaunt RE, Deane CM, Reinert G.
PMID: 27380992
Sci Rep. 2016 Jul 06;6:28955. doi: 10.1038/srep28955.

Networks are routinely used to represent large data sets, making the comparison of networks a tantalizing research question in many areas. Techniques for such analysis vary from simply comparing network summary statistics to sophisticated but computationally expensive alignment-based approaches....

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Ali W, Wegner AE, Gaunt RE, et al. Comparison of large networks with sub-sampling strategies. Sci Rep. 2016;6:28955doi: 10.1038/srep28955.
Ali, W., Wegner, A. E., Gaunt, R. E., Deane, C. M., & Reinert, G. (2016). Comparison of large networks with sub-sampling strategies. Scientific reports, 628955. https://doi.org/10.1038/srep28955
Ali, Waqar, et al. "Comparison of large networks with sub-sampling strategies." Scientific reports vol. 6 (2016): 28955. doi: https://doi.org/10.1038/srep28955
Ali W, Wegner AE, Gaunt RE, Deane CM, Reinert G. Comparison of large networks with sub-sampling strategies. Sci Rep. 2016 Jul 06;6:28955. doi: 10.1038/srep28955. PMID: 27380992; PMCID: PMC4933923.
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Deep optical penetration dynamics in photobending.

Physical review. E, Statistical, nonlinear, and soft matter physics

Corbett D, Xuan C, Warner M.
PMID: 26274300
Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Jul;92(1):013206. doi: 10.1103/PhysRevE.92.013206. Epub 2015 Jul 31.

We model both the photostationary state and dynamics of an illuminated, photosensitive, glassy liquid crystalline sheet. To illustrate the interplay between local tilt θ of the sheet, effective incident intensity, curvature, and dynamics, we adopt the simplest variation of...

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Corbett D, Xuan C, Warner M. Deep optical penetration dynamics in photobending. Phys Rev E Stat Nonlin Soft Matter Phys. 2015;92(1):013206doi: 10.1103/PhysRevE.92.013206.
Corbett, D., Xuan, C., & Warner, M. (2015). Deep optical penetration dynamics in photobending. Physical review. E, Statistical, nonlinear, and soft matter physics, 92(1), 013206. https://doi.org/10.1103/PhysRevE.92.013206
Corbett, Daniel, et al. "Deep optical penetration dynamics in photobending." Physical review. E, Statistical, nonlinear, and soft matter physics vol. 92,1 (2015): 013206. doi: https://doi.org/10.1103/PhysRevE.92.013206
Corbett D, Xuan C, Warner M. Deep optical penetration dynamics in photobending. Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Jul;92(1):013206. doi: 10.1103/PhysRevE.92.013206. Epub 2015 Jul 31. PMID: 26274300.
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Minimally-destructive atmospheric ionisation mass spectrometry authenticates authorship of historical manuscripts.

Scientific reports

Newton J, Ramage G, Gadegaard N, Zachs W, Rogers S, Barrett MP, Carruthers G, Burgess K.
PMID: 30050048
Sci Rep. 2018 Jul 26;8(1):10944. doi: 10.1038/s41598-018-28810-2.

Authentic historic manuscripts fetch high sums, but establishing their authenticity is challenging, relies on a host of stylistic clues and requires expert knowledge. High resolution mass spectrometry has not, until now, been applied to guide the authentication of historic...

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Newton J, Ramage G, Gadegaard N, et al. Minimally-destructive atmospheric ionisation mass spectrometry authenticates authorship of historical manuscripts. Sci Rep. 2018;8(1):10944doi: 10.1038/s41598-018-28810-2.
Newton, J., Ramage, G., Gadegaard, N., Zachs, W., Rogers, S., Barrett, M. P., Carruthers, G., & Burgess, K. (2018). Minimally-destructive atmospheric ionisation mass spectrometry authenticates authorship of historical manuscripts. Scientific reports, 8(1), 10944. https://doi.org/10.1038/s41598-018-28810-2
Newton, James, et al. "Minimally-destructive atmospheric ionisation mass spectrometry authenticates authorship of historical manuscripts." Scientific reports vol. 8,1 (2018): 10944. doi: https://doi.org/10.1038/s41598-018-28810-2
Newton J, Ramage G, Gadegaard N, Zachs W, Rogers S, Barrett MP, Carruthers G, Burgess K. Minimally-destructive atmospheric ionisation mass spectrometry authenticates authorship of historical manuscripts. Sci Rep. 2018 Jul 26;8(1):10944. doi: 10.1038/s41598-018-28810-2. PMID: 30050048; PMCID: PMC6062563.
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A Multidimensional Diversity-Oriented Synthesis Strategy for Structurally Diverse and Complex Macrocycles.

Angewandte Chemie (International ed. in English)

Nie F, Kunciw DL, Wilcke D, Stokes JE, Galloway WR, Bartlett S, Sore HF, Spring DR.
PMID: 27484830
Angew Chem Int Ed Engl. 2016 Sep 05;55(37):11139-43. doi: 10.1002/anie.201605460. Epub 2016 Aug 03.

Synthetic macrocycles are an attractive area in drug discovery. However, their use has been hindered by a lack of versatile platforms for the generation of structurally (and thus shape) diverse macrocycle libraries. Herein, we describe a new concept in...

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Nie F, Kunciw DL, Wilcke D, et al. A Multidimensional Diversity-Oriented Synthesis Strategy for Structurally Diverse and Complex Macrocycles. Angew Chem Int Ed Engl. 2016;55(37):11139-43doi: 10.1002/anie.201605460.
Nie, F., Kunciw, D. L., Wilcke, D., Stokes, J. E., Galloway, W. R., Bartlett, S., Sore, H. F., & Spring, D. R. (2016). A Multidimensional Diversity-Oriented Synthesis Strategy for Structurally Diverse and Complex Macrocycles. Angewandte Chemie (International ed. in English), 55(37), 11139-43. https://doi.org/10.1002/anie.201605460
Nie, Feilin, et al. "A Multidimensional Diversity-Oriented Synthesis Strategy for Structurally Diverse and Complex Macrocycles." Angewandte Chemie (International ed. in English) vol. 55,37 (2016): 11139-43. doi: https://doi.org/10.1002/anie.201605460
Nie F, Kunciw DL, Wilcke D, Stokes JE, Galloway WR, Bartlett S, Sore HF, Spring DR. A Multidimensional Diversity-Oriented Synthesis Strategy for Structurally Diverse and Complex Macrocycles. Angew Chem Int Ed Engl. 2016 Sep 05;55(37):11139-43. doi: 10.1002/anie.201605460. Epub 2016 Aug 03. PMID: 27484830; PMCID: PMC5025730.
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Heterogeneities in granular dynamics.

Proceedings of the National Academy of Sciences of the United States of America

Mehta A, Barker GC, Luck JM.
PMID: 18541918
Proc Natl Acad Sci U S A. 2008 Jun 17;105(24):8244-9. doi: 10.1073/pnas.0711733105. Epub 2008 Jun 09.

The absence of Brownian motion in granular media is a source of much complexity, including the prevalence of heterogeneity, whether static or dynamic, within a given system. Such strong heterogeneities can exist as a function of depth in a...

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Mehta A, Barker GC, Luck JM. Heterogeneities in granular dynamics. Proc Natl Acad Sci U S A. 2008;105(24):8244-9doi: 10.1073/pnas.0711733105.
Mehta, A., Barker, G. C., & Luck, J. M. (2008). Heterogeneities in granular dynamics. Proceedings of the National Academy of Sciences of the United States of America, 105(24), 8244-9. https://doi.org/10.1073/pnas.0711733105
Mehta, A, et al. "Heterogeneities in granular dynamics." Proceedings of the National Academy of Sciences of the United States of America vol. 105,24 (2008): 8244-9. doi: https://doi.org/10.1073/pnas.0711733105
Mehta A, Barker GC, Luck JM. Heterogeneities in granular dynamics. Proc Natl Acad Sci U S A. 2008 Jun 17;105(24):8244-9. doi: 10.1073/pnas.0711733105. Epub 2008 Jun 09. PMID: 18541918; PMCID: PMC2448822.
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Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring.

The Journal of organic chemistry

Chisholm DR, Valentine R, Pohl E, Whiting A.
PMID: 27467234
J Org Chem. 2016 Sep 02;81(17):7557-65. doi: 10.1021/acs.joc.6b01110. Epub 2016 Aug 10.

A convenient, mild and effective conjugate addition of 3-butyn-2-one to a variety of anilines in ethanol is reported. The reaction was monitored and characterized through in situ FTIR, and the dynamics of the facile E/Z alkene geometry interconversion of...

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Chisholm DR, Valentine R, Pohl E, et al. Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring. J Org Chem. 2016;81(17):7557-65doi: 10.1021/acs.joc.6b01110.
Chisholm, D. R., Valentine, R., Pohl, E., & Whiting, A. (2016). Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring. The Journal of organic chemistry, 81(17), 7557-65. https://doi.org/10.1021/acs.joc.6b01110
Chisholm, David R, et al. "Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring." The Journal of organic chemistry vol. 81,17 (2016): 7557-65. doi: https://doi.org/10.1021/acs.joc.6b01110
Chisholm DR, Valentine R, Pohl E, Whiting A. Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring. J Org Chem. 2016 Sep 02;81(17):7557-65. doi: 10.1021/acs.joc.6b01110. Epub 2016 Aug 10. PMID: 27467234.
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Drastic symmetry breaking in supramolecular organization of enantiomerically unbalanced monolayers at surfaces.

Nature chemistry

Haq S, Liu N, Humblot V, Jansen AP, Raval R.
PMID: 21378896
Nat Chem. 2009 Aug;1(5):409-14. doi: 10.1038/nchem.295. Epub 2009 Jul 24.

There is considerable interest in skewing the transmission of chirality, or 'handedness', from the molecular to the supramolecular level so that single-handed superstructures are created from mixed enantiomer systems. One approach is to flip the chirality of all the...

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Haq S, Liu N, Humblot V, et al. Drastic symmetry breaking in supramolecular organization of enantiomerically unbalanced monolayers at surfaces. Nat Chem. 2009;1(5):409-14doi: 10.1038/nchem.295.
Haq, S., Liu, N., Humblot, V., Jansen, A. P., & Raval, R. (2009). Drastic symmetry breaking in supramolecular organization of enantiomerically unbalanced monolayers at surfaces. Nature chemistry, 1(5), 409-14. https://doi.org/10.1038/nchem.295
Haq, Sam, et al. "Drastic symmetry breaking in supramolecular organization of enantiomerically unbalanced monolayers at surfaces." Nature chemistry vol. 1,5 (2009): 409-14. doi: https://doi.org/10.1038/nchem.295
Haq S, Liu N, Humblot V, Jansen AP, Raval R. Drastic symmetry breaking in supramolecular organization of enantiomerically unbalanced monolayers at surfaces. Nat Chem. 2009 Aug;1(5):409-14. doi: 10.1038/nchem.295. Epub 2009 Jul 24. PMID: 21378896.
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Nanoscale spatially resolved infrared spectra from single microdroplets.

Lab on a chip

Müller T, Ruggeri FS, Kulik AJ, Shimanovich U, Mason TO, Knowles TP, Dietler G.
PMID: 24519414
Lab Chip. 2014 Apr 07;14(7):1315-9. doi: 10.1039/c3lc51219c.

Droplet microfluidics has emerged as a powerful platform allowing a large number of individual reactions to be carried out in spatially distinct microcompartments. Due to their small size, however, the spectroscopic characterisation of species encapsulated in such systems remains...

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Müller T, Ruggeri FS, Kulik AJ, et al. Nanoscale spatially resolved infrared spectra from single microdroplets. Lab Chip. 2014;14(7):1315-9doi: 10.1039/c3lc51219c.
Müller, T., Ruggeri, F. S., Kulik, A. J., Shimanovich, U., Mason, T. O., Knowles, T. P., & Dietler, G. (2014). Nanoscale spatially resolved infrared spectra from single microdroplets. Lab on a chip, 14(7), 1315-9. https://doi.org/10.1039/c3lc51219c
Müller, Thomas, et al. "Nanoscale spatially resolved infrared spectra from single microdroplets." Lab on a chip vol. 14,7 (2014): 1315-9. doi: https://doi.org/10.1039/c3lc51219c
Müller T, Ruggeri FS, Kulik AJ, Shimanovich U, Mason TO, Knowles TP, Dietler G. Nanoscale spatially resolved infrared spectra from single microdroplets. Lab Chip. 2014 Apr 07;14(7):1315-9. doi: 10.1039/c3lc51219c. PMID: 24519414.
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Observation of "hidden" magnesium: first-principles calculations and 25Mg solid-state NMR of enstatite.

Solid state nuclear magnetic resonance

Griffin JM, Berry AJ, Ashbrook SE.
PMID: 21871785
Solid State Nucl Magn Reson. 2011 Sep;40(2):91-9. doi: 10.1016/j.ssnmr.2011.08.004. Epub 2011 Aug 11.

(25)Mg NMR parameters have been determined for two polymorphs of enstatite (MgSiO(3)), an important magnesium silicate phase present as a major component of the Earth's upper mantle. The crystal structures of both polymorphs contain two crystallographically distinct magnesium sites;...

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Griffin JM, Berry AJ, Ashbrook SE. Observation of "hidden" magnesium: first-principles calculations and 25Mg solid-state NMR of enstatite. Solid State Nucl Magn Reson. 2011;40(2):91-9doi: 10.1016/j.ssnmr.2011.08.004.
Griffin, J. M., Berry, A. J., & Ashbrook, S. E. (2011). Observation of "hidden" magnesium: first-principles calculations and 25Mg solid-state NMR of enstatite. Solid state nuclear magnetic resonance, 40(2), 91-9. https://doi.org/10.1016/j.ssnmr.2011.08.004
Griffin, John M, et al. "Observation of "hidden" magnesium: first-principles calculations and 25Mg solid-state NMR of enstatite." Solid state nuclear magnetic resonance vol. 40,2 (2011): 91-9. doi: https://doi.org/10.1016/j.ssnmr.2011.08.004
Griffin JM, Berry AJ, Ashbrook SE. Observation of "hidden" magnesium: first-principles calculations and 25Mg solid-state NMR of enstatite. Solid State Nucl Magn Reson. 2011 Sep;40(2):91-9. doi: 10.1016/j.ssnmr.2011.08.004. Epub 2011 Aug 11. PMID: 21871785.
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Parameter-free model discrimination criterion based on steady-state coplanarity.

Proceedings of the National Academy of Sciences of the United States of America

Harrington HA, Ho KL, Thorne T, Stumpf MP.
PMID: 22967512
Proc Natl Acad Sci U S A. 2012 Sep 25;109(39):15746-51. doi: 10.1073/pnas.1117073109. Epub 2012 Sep 11.

We introduce a procedure for deciding when a mass-action model is incompatible with observed steady-state data that does not require any parameter estimation. Thus, we avoid the difficulties of nonlinear optimization typically associated with methods based on parameter fitting....

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Harrington HA, Ho KL, Thorne T, et al. Parameter-free model discrimination criterion based on steady-state coplanarity. Proc Natl Acad Sci U S A. 2012;109(39):15746-51doi: 10.1073/pnas.1117073109.
Harrington, H. A., Ho, K. L., Thorne, T., & Stumpf, M. P. (2012). Parameter-free model discrimination criterion based on steady-state coplanarity. Proceedings of the National Academy of Sciences of the United States of America, 109(39), 15746-51. https://doi.org/10.1073/pnas.1117073109
Harrington, Heather A, et al. "Parameter-free model discrimination criterion based on steady-state coplanarity." Proceedings of the National Academy of Sciences of the United States of America vol. 109,39 (2012): 15746-51. doi: https://doi.org/10.1073/pnas.1117073109
Harrington HA, Ho KL, Thorne T, Stumpf MP. Parameter-free model discrimination criterion based on steady-state coplanarity. Proc Natl Acad Sci U S A. 2012 Sep 25;109(39):15746-51. doi: 10.1073/pnas.1117073109. Epub 2012 Sep 11. PMID: 22967512; PMCID: PMC3465434.
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An acoustic on-chip goniometer for room temperature macromolecular crystallography.

Lab on a chip

Burton CG, Axford D, Edwards AMJ, Gildea RJ, Morris RH, Newton MI, Orville AM, Prince M, Topham PD, Docker PT.
PMID: 29124258
Lab Chip. 2017 Dec 05;17(24):4225-4230. doi: 10.1039/c7lc00812k.

This paper describes the design, development and successful use of an on-chip goniometer for room-temperature macromolecular crystallography via acoustically induced rotations. We present for the first time a low cost, rate-tunable, acoustic actuator for gradual in-fluid sample reorientation about...

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Burton CG, Axford D, Edwards AMJ, et al. An acoustic on-chip goniometer for room temperature macromolecular crystallography. Lab Chip. 2017;17(24):4225-4230doi: 10.1039/c7lc00812k.
Burton, C. G., Axford, D., Edwards, A. M. J., Gildea, R. J., Morris, R. H., Newton, M. I., Orville, A. M., Prince, M., Topham, P. D., & Docker, P. T. (2017). An acoustic on-chip goniometer for room temperature macromolecular crystallography. Lab on a chip, 17(24), 4225-4230. https://doi.org/10.1039/c7lc00812k
Burton, C G, et al. "An acoustic on-chip goniometer for room temperature macromolecular crystallography." Lab on a chip vol. 17,24 (2017): 4225-4230. doi: https://doi.org/10.1039/c7lc00812k
Burton CG, Axford D, Edwards AMJ, Gildea RJ, Morris RH, Newton MI, Orville AM, Prince M, Topham PD, Docker PT. An acoustic on-chip goniometer for room temperature macromolecular crystallography. Lab Chip. 2017 Dec 05;17(24):4225-4230. doi: 10.1039/c7lc00812k. PMID: 29124258.
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Noise-processing by signaling networks.

Scientific reports

Kontogeorgaki S, Sánchez-García RJ, Ewing RM, Zygalakis KC, MacArthur BD.
PMID: 28373704
Sci Rep. 2017 Apr 03;7(1):532. doi: 10.1038/s41598-017-00659-x.

Signaling networks mediate environmental information to the cell nucleus. To perform this task effectively they must be able to integrate multiple stimuli and distinguish persistent signals from transient environmental fluctuations. However, the ways in which signaling networks process environmental...

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Kontogeorgaki S, Sánchez-García RJ, Ewing RM, et al. Noise-processing by signaling networks. Sci Rep. 2017;7(1):532doi: 10.1038/s41598-017-00659-x.
Kontogeorgaki, S., Sánchez-García, R. J., Ewing, R. M., Zygalakis, K. C., & MacArthur, B. D. (2017). Noise-processing by signaling networks. Scientific reports, 7(1), 532. https://doi.org/10.1038/s41598-017-00659-x
Kontogeorgaki, Styliani, et al. "Noise-processing by signaling networks." Scientific reports vol. 7,1 (2017): 532. doi: https://doi.org/10.1038/s41598-017-00659-x
Kontogeorgaki S, Sánchez-García RJ, Ewing RM, Zygalakis KC, MacArthur BD. Noise-processing by signaling networks. Sci Rep. 2017 Apr 03;7(1):532. doi: 10.1038/s41598-017-00659-x. PMID: 28373704; PMCID: PMC5428852.
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Showing 25 to 36 of 59 entries