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Multistate treatments of the electronic coupling in donor-bridge-acceptor systems: insights and caveats from a simple model.

The journal of physical chemistry. A

Cave RJ, Newton MD.
PMID: 24266545
J Phys Chem A. 2014 Sep 04;118(35):7221-34. doi: 10.1021/jp408913k. Epub 2013 Dec 10.

We use a simple one-dimensional delta function electronic structure model (dfm) to investigate the results of a pair of multistate diabatization techniques (i.e., based on n states, with n ≥ 2) for linear DBA and DBBA (donor-bridge-acceptor) electron-transfer systems....

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Cave RJ, Newton MD. Multistate treatments of the electronic coupling in donor-bridge-acceptor systems: insights and caveats from a simple model. J Phys Chem A. 2013;118(35):7221-34doi: 10.1021/jp408913k.
Cave, R. J., & Newton, M. D. (2014). Multistate treatments of the electronic coupling in donor-bridge-acceptor systems: insights and caveats from a simple model. The journal of physical chemistry. A, 118(35), 7221-34. https://doi.org/10.1021/jp408913k
Cave, Robert J, and Newton, Marshall D. "Multistate treatments of the electronic coupling in donor-bridge-acceptor systems: insights and caveats from a simple model." The journal of physical chemistry. A vol. 118,35 (2014): 7221-34. doi: https://doi.org/10.1021/jp408913k
Cave RJ, Newton MD. Multistate treatments of the electronic coupling in donor-bridge-acceptor systems: insights and caveats from a simple model. J Phys Chem A. 2014 Sep 04;118(35):7221-34. doi: 10.1021/jp408913k. Epub 2013 Dec 10. PMID: 24266545.
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Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements.

The journal of physical chemistry. B

Hartley MK, Vine S, Walsh E, Avrantinis S, Daub GW, Cave RJ.
PMID: 26308793
J Phys Chem B. 2016 Mar 03;120(8):1486-96. doi: 10.1021/acs.jpcb.5b06646. Epub 2015 Sep 01.

We investigate several representative density functional theory approaches for the calculation of relative activation energies and free energies of a set of model pericyclic reactions, some of which have been studied experimentally. In particular, we use a standard hybrid...

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Hartley MK, Vine S, Walsh E, et al. Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements. J Phys Chem B. 2015;120(8):1486-96doi: 10.1021/acs.jpcb.5b06646.
Hartley, M. K., Vine, S., Walsh, E., Avrantinis, S., Daub, G. W., & Cave, R. J. (2016). Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements. The journal of physical chemistry. B, 120(8), 1486-96. https://doi.org/10.1021/acs.jpcb.5b06646
Hartley, Madeline K, et al. "Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements." The journal of physical chemistry. B vol. 120,8 (2016): 1486-96. doi: https://doi.org/10.1021/acs.jpcb.5b06646
Hartley MK, Vine S, Walsh E, Avrantinis S, Daub GW, Cave RJ. Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements. J Phys Chem B. 2016 Mar 03;120(8):1486-96. doi: 10.1021/acs.jpcb.5b06646. Epub 2015 Sep 01. PMID: 26308793.
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Self-sorted photoconductive xerogels.

Chemical science

Draper ER, Lee JR, Wallace M, Jäckel F, Cowan AJ, Adams DJ.
PMID: 28451108
Chem Sci. 2016 Oct 01;7(10):6499-6505. doi: 10.1039/c6sc02644c. Epub 2016 Jul 01.

We show that a perylene bisimide (PBI)-based gelator forms self-sorted mixtures with a stilbene-based gelator. To form the self-sorted gels, we use a slow pH change induced by the hydrolysis of glucono-δ-lactone (GdL) to gluconic acid. We prove that...

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Draper ER, Lee JR, Wallace M, et al. Self-sorted photoconductive xerogels. Chem Sci. 2016;7(10):6499-6505doi: 10.1039/c6sc02644c.
Draper, E. R., Lee, J. R., Wallace, M., Jäckel, F., Cowan, A. J., & Adams, D. J. (2016). Self-sorted photoconductive xerogels. Chemical science, 7(10), 6499-6505. https://doi.org/10.1039/c6sc02644c
Draper, Emily R, et al. "Self-sorted photoconductive xerogels." Chemical science vol. 7,10 (2016): 6499-6505. doi: https://doi.org/10.1039/c6sc02644c
Draper ER, Lee JR, Wallace M, Jäckel F, Cowan AJ, Adams DJ. Self-sorted photoconductive xerogels. Chem Sci. 2016 Oct 01;7(10):6499-6505. doi: 10.1039/c6sc02644c. Epub 2016 Jul 01. PMID: 28451108; PMCID: PMC5355952.
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Key bacterial families (Clostridiaceae, Erysipelotrichaceae and Bacteroidaceae) are related to the digestion of protein and energy in dogs.

PeerJ

Bermingham EN, Maclean P, Thomas DG, Cave NJ, Young W.
PMID: 28265505
PeerJ. 2017 Mar 02;5:e3019. doi: 10.7717/peerj.3019. eCollection 2017.

BACKGROUND: Much of the recent research in companion animal nutrition has focussed on understanding the role of diet on faecal microbiota composition. To date, diet-induced changes in faecal microbiota observed in humans and rodents have been extrapolated to pets...

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Bermingham EN, Maclean P, Thomas DG, et al. Key bacterial families (Clostridiaceae, Erysipelotrichaceae and Bacteroidaceae) are related to the digestion of protein and energy in dogs. PeerJ. 2017;5:e3019doi: 10.7717/peerj.3019.
Bermingham, E. N., Maclean, P., Thomas, D. G., Cave, N. J., & Young, W. (2017). Key bacterial families (Clostridiaceae, Erysipelotrichaceae and Bacteroidaceae) are related to the digestion of protein and energy in dogs. PeerJ, 5e3019. https://doi.org/10.7717/peerj.3019
Bermingham, Emma N, et al. "Key bacterial families (Clostridiaceae, Erysipelotrichaceae and Bacteroidaceae) are related to the digestion of protein and energy in dogs." PeerJ vol. 5 (2017): e3019. doi: https://doi.org/10.7717/peerj.3019
Bermingham EN, Maclean P, Thomas DG, Cave NJ, Young W. Key bacterial families (Clostridiaceae, Erysipelotrichaceae and Bacteroidaceae) are related to the digestion of protein and energy in dogs. PeerJ. 2017 Mar 02;5:e3019. doi: 10.7717/peerj.3019. eCollection 2017. PMID: 28265505; PMCID: PMC5337088.
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Aligning self-assembled gelators by drying under shear.

Chemical communications (Cambridge, England)

Draper ER, Mykhaylyk OO, Adams DJ.
PMID: 27146964
Chem Commun (Camb). 2016 May 25;52(42):6934-7. doi: 10.1039/c6cc02824a. Epub 2016 May 05.

We show how drying under shear can be used to prepare aligned fibres and worm-like micelles from low molecular weight gelators. Shearing followed by drying leads to the dealignment before the water can be removed; continuous shear whilst drying...

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Draper ER, Mykhaylyk OO, Adams DJ. Aligning self-assembled gelators by drying under shear. Chem Commun (Camb). 2016;52(42):6934-7doi: 10.1039/c6cc02824a.
Draper, E. R., Mykhaylyk, O. O., & Adams, D. J. (2016). Aligning self-assembled gelators by drying under shear. Chemical communications (Cambridge, England), 52(42), 6934-7. https://doi.org/10.1039/c6cc02824a
Draper, Emily R, et al. "Aligning self-assembled gelators by drying under shear." Chemical communications (Cambridge, England) vol. 52,42 (2016): 6934-7. doi: https://doi.org/10.1039/c6cc02824a
Draper ER, Mykhaylyk OO, Adams DJ. Aligning self-assembled gelators by drying under shear. Chem Commun (Camb). 2016 May 25;52(42):6934-7. doi: 10.1039/c6cc02824a. Epub 2016 May 05. PMID: 27146964.
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Optimising low molecular weight hydrogels for automated 3D printing.

Soft matter

Nolan MC, Fuentes Caparrós AM, Dietrich B, Barrow M, Cross ER, Bleuel M, King SM, Adams DJ.
PMID: 29083003
Soft Matter. 2017 Nov 22;13(45):8426-8432. doi: 10.1039/c7sm01694h.

Hydrogels prepared from low molecular weight gelators (LMWGs) are formed as a result of hierarchical intermolecular interactions between gelators to form fibres, and then further interactions between the self-assembled fibres via physical entanglements, as well as potential branching points....

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Nolan MC, Fuentes Caparrós AM, Dietrich B, et al. Optimising low molecular weight hydrogels for automated 3D printing. Soft Matter. 2017;13(45):8426-8432doi: 10.1039/c7sm01694h.
Nolan, M. C., Fuentes Caparrós, A. M., Dietrich, B., Barrow, M., Cross, E. R., Bleuel, M., King, S. M., & Adams, D. J. (2017). Optimising low molecular weight hydrogels for automated 3D printing. Soft matter, 13(45), 8426-8432. https://doi.org/10.1039/c7sm01694h
Nolan, Michael C, et al. "Optimising low molecular weight hydrogels for automated 3D printing." Soft matter vol. 13,45 (2017): 8426-8432. doi: https://doi.org/10.1039/c7sm01694h
Nolan MC, Fuentes Caparrós AM, Dietrich B, Barrow M, Cross ER, Bleuel M, King SM, Adams DJ. Optimising low molecular weight hydrogels for automated 3D printing. Soft Matter. 2017 Nov 22;13(45):8426-8432. doi: 10.1039/c7sm01694h. PMID: 29083003.
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Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents.

Journal of the American Chemical Society

Hasell T, Culshaw JL, Chong SY, Schmidtmann M, Little MA, Jelfs KE, Pyzer-Knapp EO, Shepherd H, Adams DJ, Day GM, Cooper AI.
PMID: 24410310
J Am Chem Soc. 2014 Jan 29;136(4):1438-48. doi: 10.1021/ja409594s. Epub 2014 Jan 21.

Small structural changes in organic molecules can have a large influence on solid-state crystal packing, and this often thwarts attempts to produce isostructural series of crystalline solids. For metal-organic frameworks and covalent organic frameworks, this has been addressed by...

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Hasell T, Culshaw JL, Chong SY, et al. Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents. J Am Chem Soc. 2014;136(4):1438-48doi: 10.1021/ja409594s.
Hasell, T., Culshaw, J. L., Chong, S. Y., Schmidtmann, M., Little, M. A., Jelfs, K. E., Pyzer-Knapp, E. O., Shepherd, H., Adams, D. J., Day, G. M., & Cooper, A. I. (2014). Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents. Journal of the American Chemical Society, 136(4), 1438-48. https://doi.org/10.1021/ja409594s
Hasell, Tom, et al. "Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents." Journal of the American Chemical Society vol. 136,4 (2014): 1438-48. doi: https://doi.org/10.1021/ja409594s
Hasell T, Culshaw JL, Chong SY, Schmidtmann M, Little MA, Jelfs KE, Pyzer-Knapp EO, Shepherd H, Adams DJ, Day GM, Cooper AI. Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents. J Am Chem Soc. 2014 Jan 29;136(4):1438-48. doi: 10.1021/ja409594s. Epub 2014 Jan 21. PMID: 24410310.
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Swellable, water- and acid-tolerant polymer sponges for chemoselective carbon dioxide capture.

Journal of the American Chemical Society

Woodward RT, Stevens LA, Dawson R, Vijayaraghavan M, Hasell T, Silverwood IP, Ewing AV, Ratvijitvech T, Exley JD, Chong SY, Blanc F, Adams DJ, Kazarian SG, Snape CE, Drage TC, Cooper AI.
PMID: 24874971
J Am Chem Soc. 2014 Jun 25;136(25):9028-35. doi: 10.1021/ja5031968. Epub 2014 Jun 11.

To impact carbon emissions, new materials for carbon capture must be inexpensive, robust, and able to adsorb CO2 specifically from a mixture of other gases. In particular, materials must be tolerant to the water vapor and to the acidic...

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Woodward RT, Stevens LA, Dawson R, et al. Swellable, water- and acid-tolerant polymer sponges for chemoselective carbon dioxide capture. J Am Chem Soc. 2014;136(25):9028-35doi: 10.1021/ja5031968.
Woodward, R. T., Stevens, L. A., Dawson, R., Vijayaraghavan, M., Hasell, T., Silverwood, I. P., Ewing, A. V., Ratvijitvech, T., Exley, J. D., Chong, S. Y., Blanc, F., Adams, D. J., Kazarian, S. G., Snape, C. E., Drage, T. C., & Cooper, A. I. (2014). Swellable, water- and acid-tolerant polymer sponges for chemoselective carbon dioxide capture. Journal of the American Chemical Society, 136(25), 9028-35. https://doi.org/10.1021/ja5031968
Woodward, Robert T, et al. "Swellable, water- and acid-tolerant polymer sponges for chemoselective carbon dioxide capture." Journal of the American Chemical Society vol. 136,25 (2014): 9028-35. doi: https://doi.org/10.1021/ja5031968
Woodward RT, Stevens LA, Dawson R, Vijayaraghavan M, Hasell T, Silverwood IP, Ewing AV, Ratvijitvech T, Exley JD, Chong SY, Blanc F, Adams DJ, Kazarian SG, Snape CE, Drage TC, Cooper AI. Swellable, water- and acid-tolerant polymer sponges for chemoselective carbon dioxide capture. J Am Chem Soc. 2014 Jun 25;136(25):9028-35. doi: 10.1021/ja5031968. Epub 2014 Jun 11. PMID: 24874971.
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On the syneresis of an OPV functionalised dipeptide hydrogel.

Soft matter

Castilla AM, Wallace M, Mears LL, Draper ER, Doutch J, Rogers S, Adams DJ.
PMID: 27714311
Soft Matter. 2016 Sep 20;12(37):7848-7854. doi: 10.1039/c6sm01194b.

We describe a new dipeptide hydrogel based on an oligophenylene vinylene core. After gelation, the initial network evolves, expelling solvent and resulting in syneresis. We describe this process and the effects in the bulk properties of the material.

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Castilla AM, Wallace M, Mears LL, et al. On the syneresis of an OPV functionalised dipeptide hydrogel. Soft Matter. 2016;12(37):7848-7854doi: 10.1039/c6sm01194b.
Castilla, A. M., Wallace, M., Mears, L. L., Draper, E. R., Doutch, J., Rogers, S., & Adams, D. J. (2016). On the syneresis of an OPV functionalised dipeptide hydrogel. Soft matter, 12(37), 7848-7854. https://doi.org/10.1039/c6sm01194b
Castilla, Ana M, et al. "On the syneresis of an OPV functionalised dipeptide hydrogel." Soft matter vol. 12,37 (2016): 7848-7854. doi: https://doi.org/10.1039/c6sm01194b
Castilla AM, Wallace M, Mears LL, Draper ER, Doutch J, Rogers S, Adams DJ. On the syneresis of an OPV functionalised dipeptide hydrogel. Soft Matter. 2016 Sep 20;12(37):7848-7854. doi: 10.1039/c6sm01194b. PMID: 27714311.
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What were the risk factors and trends in antimicrobial resistance for enteric fever in London 2005-2012?.

Journal of medical microbiology

Dave J, Warburton F, Freedman J, de Pinna E, Grant K, Sefton A, Crawley-Boevey E, Godbole G, Holliman R, Balasegaram S.
PMID: 28590238
J Med Microbiol. 2017 Jun;66(6):698-705. doi: 10.1099/jmm.0.000484.

No abstract available.

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Dave J, Warburton F, Freedman J, et al. What were the risk factors and trends in antimicrobial resistance for enteric fever in London 2005-2012?. J Med Microbiol. 2017;66(6):698-705doi: 10.1099/jmm.0.000484.
Dave, J., Warburton, F., Freedman, J., de Pinna, E., Grant, K., Sefton, A., Crawley-Boevey, E., Godbole, G., Holliman, R., & Balasegaram, S. (2017). What were the risk factors and trends in antimicrobial resistance for enteric fever in London 2005-2012?. Journal of medical microbiology, 66(6), 698-705. https://doi.org/10.1099/jmm.0.000484
Dave, Jayshree, et al. "What were the risk factors and trends in antimicrobial resistance for enteric fever in London 2005-2012?." Journal of medical microbiology vol. 66,6 (2017): 698-705. doi: https://doi.org/10.1099/jmm.0.000484
Dave J, Warburton F, Freedman J, de Pinna E, Grant K, Sefton A, Crawley-Boevey E, Godbole G, Holliman R, Balasegaram S. What were the risk factors and trends in antimicrobial resistance for enteric fever in London 2005-2012?. J Med Microbiol. 2017 Jun;66(6):698-705. doi: 10.1099/jmm.0.000484. PMID: 28590238.
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Opening a Can of Worm(-like Micelle)s: The Effect of Temperature of Solutions of Functionalized Dipeptides.

Angewandte Chemie (International ed. in English)

Draper ER, Su H, Brasnett C, Poole RJ, Rogers S, Cui H, Seddon A, Adams DJ.
PMID: 28653804
Angew Chem Int Ed Engl. 2017 Aug 21;56(35):10467-10470. doi: 10.1002/anie.201705604. Epub 2017 Jul 28.

A simple heat/cool cycle can be used to significantly affect the properties of a solution of a low-molecular-weight gelator at high pH. The viscosity and extensional viscosity are increased markedly, leading to materials with very different properties than when...

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Draper ER, Su H, Brasnett C, et al. Opening a Can of Worm(-like Micelle)s: The Effect of Temperature of Solutions of Functionalized Dipeptides. Angew Chem Int Ed Engl. 2017;56(35):10467-10470doi: 10.1002/anie.201705604.
Draper, E. R., Su, H., Brasnett, C., Poole, R. J., Rogers, S., Cui, H., Seddon, A., & Adams, D. J. (2017). Opening a Can of Worm(-like Micelle)s: The Effect of Temperature of Solutions of Functionalized Dipeptides. Angewandte Chemie (International ed. in English), 56(35), 10467-10470. https://doi.org/10.1002/anie.201705604
Draper, Emily R, et al. "Opening a Can of Worm(-like Micelle)s: The Effect of Temperature of Solutions of Functionalized Dipeptides." Angewandte Chemie (International ed. in English) vol. 56,35 (2017): 10467-10470. doi: https://doi.org/10.1002/anie.201705604
Draper ER, Su H, Brasnett C, Poole RJ, Rogers S, Cui H, Seddon A, Adams DJ. Opening a Can of Worm(-like Micelle)s: The Effect of Temperature of Solutions of Functionalized Dipeptides. Angew Chem Int Ed Engl. 2017 Aug 21;56(35):10467-10470. doi: 10.1002/anie.201705604. Epub 2017 Jul 28. PMID: 28653804; PMCID: PMC5577516.
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Redefining status of pathology and microbiology.

Indian journal of pathology & microbiology

Dave MJ.
PMID: 10639782
Indian J Pathol Microbiol. 1999 Apr;42(2):180.

No abstract available.

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Dave MJ. Redefining status of pathology and microbiology. Indian J Pathol Microbiol. 1999;42(2):180
Dave, M. J. (1999). Redefining status of pathology and microbiology. Indian journal of pathology & microbiology, 42(2), 180.
Dave, M J. "Redefining status of pathology and microbiology." Indian journal of pathology & microbiology vol. 42,2 (1999): 180.
Dave MJ. Redefining status of pathology and microbiology. Indian J Pathol Microbiol. 1999 Apr;42(2):180. PMID: 10639782.
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Showing 1 to 12 of 346 entries