Outputs (15)

Dual-functionalised shellac nanocarriers give a super-boost of the antimicrobial action of berberine (2018)
Journal Article
Al-Obaidy, S. S., Greenway, G. M., & Paunov, V. N. (2019). Dual-functionalised shellac nanocarriers give a super-boost of the antimicrobial action of berberine. Nanoscale advances, 1(2), 858-872. https://doi.org/10.1039/c8na00121a

We have developed highly efficient antimicrobial nanocarriers for berberine (BRB) based on shellac nanoparticles (NPs) which were surface-functionalised with a surface active polymer, Poloxamer 407 (P407), and the cationic surfactant octadecyltrimeth... Read More about Dual-functionalised shellac nanocarriers give a super-boost of the antimicrobial action of berberine.

Intermolecular rovibrational bound states of H2O–H2 dimer from a multiconfiguration time dependent Hartree approach (2018)
Journal Article
Ndengué, S. A., Scribano, Y., Benoit, D. M., Gatti, F., & Dawes, R. (2019). Intermolecular rovibrational bound states of H2O–H2 dimer from a multiconfiguration time dependent Hartree approach. Chemical Physics Letters, 715, 347-353. https://doi.org/10.1016/j.cplett.2018.11.035

We compute the rovibrational eigenstates of the H2O–H2 Van der Waals complex using the accurate rigid-rotor potential energy surface of Valiron et al. (2008) with the MultiConfiguration Time Dependent Hartree (MCTDH) method. The J=0–2 rovibrational b... Read More about Intermolecular rovibrational bound states of H2O–H2 dimer from a multiconfiguration time dependent Hartree approach.

The induction of the Ntb phase in mixtures (2018)
Journal Article
Ramou, E., Welch, C., Hussey, J., Ahmed, Z., Karahaliou, P. K., & Mehl, G. H. (2018). The induction of the Ntb phase in mixtures. Liquid crystals, 45(13-15), 1929-1935. https://doi.org/10.1080/02678292.2018.1524523

We report the induction of the Ntb phase over a wide temperature and concentration range in a binary system. This was achieved by addition of a flexible dopant without LC properties to a flexible dimer exhibiting only a nematic LC phase. The Ntb phas... Read More about The induction of the Ntb phase in mixtures.

Dynamic calorimetry and XRD studies of the nematic and twist-bend nematic phase transitions in a series of dimers with increasing spacer length (2018)
Journal Article
Stevenson, W. D., Zou, H. X., Zeng, X. B., Welch, C., Ungar, G., & Mehl, G. H. (2018). Dynamic calorimetry and XRD studies of the nematic and twist-bend nematic phase transitions in a series of dimers with increasing spacer length. Physical chemistry chemical physics : PCCP, 20(39), 25268-25274. https://doi.org/10.1039/c8cp05744c

A modulated and conventional DSC study of the transitions between the twist-bend nematic (Ntb), regular nematic (N) and isotropic liquid (Iso) phases was performed on a series of difluoroterphenyl-based dimers with (CH2)n spacers; n = 5, 7, 9, 11. Th... Read More about Dynamic calorimetry and XRD studies of the nematic and twist-bend nematic phase transitions in a series of dimers with increasing spacer length.

Amplified antimicrobial action of chlorhexidine encapsulated in PDAC-functionalized acrylate copolymer nanogel carriers (2018)
Journal Article
Al-Awady, M. J., Weldrick, P. J., Hardman, M. J., Greenway, G. M., & Paunov, V. N. (2018). Amplified antimicrobial action of chlorhexidine encapsulated in PDAC-functionalized acrylate copolymer nanogel carriers. Materials Chemistry Frontiers, 2(11), 2032-2044. https://doi.org/10.1039/c8qm00343b

We have developed and tested a novel functionalised nanocarrier for chlorhexidine (CHX) which provides a very strong enhancement of its antimicrobial action. The nanocarrier was based on lightly-cross-linked acrylate copolymer nanogel particles loade... Read More about Amplified antimicrobial action of chlorhexidine encapsulated in PDAC-functionalized acrylate copolymer nanogel carriers.

Flexoelectro-optic liquid crystal analog phase-only modulator with a 2π range and 1 kHz switching (2018)
Journal Article
Fells, J. A., Wang, X., Elston, S. J., Welch, C., Mehl, G. H., Booth, M. J., & Morris, S. M. (2018). Flexoelectro-optic liquid crystal analog phase-only modulator with a 2π range and 1 kHz switching. Optics letters, 43(18), 4362-4365. https://doi.org/10.1364/OL.43.004362

We present a flexoelectro-optic liquid crystal (LC) analog phase modulator with >2𝜋 phase range at a 1 kHz switching frequency. The chiral nematic LC mixture consists of the bimesogen CBC7CB with chiral dopant R5011, aligned in the uniform lying heli... Read More about Flexoelectro-optic liquid crystal analog phase-only modulator with a 2π range and 1 kHz switching.

Towards “green” viscoelastically prestressed composites: Cellulose fibre reinforcement (2018)
Journal Article
Qin, Y., & Fancey, K. S. (2018). Towards “green” viscoelastically prestressed composites: Cellulose fibre reinforcement. Composites. Part B, Engineering, 154, 439-448. https://doi.org/10.1016/j.compositesb.2018.08.096

With growing concerns over environmental issues, fibre reinforced composites based on renewable, biodegradable low-cost cellulosic/cellulose fibres increasingly attract interest. This paper reports on the first study to produce viscoelastically prest... Read More about Towards “green” viscoelastically prestressed composites: Cellulose fibre reinforcement.

Supramolecular organization of liquid-crystal dimers-bis-cyanobiphenyl alkanes on HOPG by scanning tunneling microscopy (2018)
Journal Article
Krzyzewska, K., Jaroch, T., Maranda-Niedbała, A., Pociecha, D., Górecka, E., Ahmed, Z., Welch, C., Mehl, G. H., Proń, A., & Nowakowski, R. (2018). Supramolecular organization of liquid-crystal dimers-bis-cyanobiphenyl alkanes on HOPG by scanning tunneling microscopy. Nanoscale, 10(34), 16201-16210. https://doi.org/10.1039/c8nr02069h

2D supramolecular organization of a series of six cyanobiphenyl bimesogens deposited on highly oriented pyrolytic graphite (HOPG) is studied by scanning tunneling microscopy (STM). The adsorbates
are 1,ω-bis(4-cyanobiphenyl-4’-yl)alkanes (CBnCB) with... Read More about Supramolecular organization of liquid-crystal dimers-bis-cyanobiphenyl alkanes on HOPG by scanning tunneling microscopy.

Modelling and neutron diffraction characterization of the interfacial bonding of spray formed dissimilar steels (2018)
Journal Article
Lee, T. L., Mi, J., Ren, S., Zhao, S., Fan, J., Kabra, S., Zhang, S., & Grant, P. S. (2018). Modelling and neutron diffraction characterization of the interfacial bonding of spray formed dissimilar steels. Acta Materialia, 155, 318-330. https://doi.org/10.1016/j.actamat.2018.05.055

The spray forming of thick, dissimilar steel clad tubes with the objective of achieving a high integrity metallurgical bond across the cladding-substrate interface able to withstand residual stresses and subsequent thermo-mechanical processing was in... Read More about Modelling and neutron diffraction characterization of the interfacial bonding of spray formed dissimilar steels.

Viscoelastically prestressed polymeric matrix composites: An investigation into fibre deformation and prestress mechanisms (2018)
Journal Article
Wang, B., & Fancey, K. S. (2018). Viscoelastically prestressed polymeric matrix composites: An investigation into fibre deformation and prestress mechanisms. Composites Part A: Applied Science and Manufacturing, 111, 106-114. https://doi.org/10.1016/j.compositesa.2018.05.013

© 2018 Elsevier Ltd A viscoelastically prestressed polymeric matrix composite (VPPMC) is produced by subjecting polymeric fibres to a creep load, which is removed before moulding the fibres into a polymeric matrix. The resulting fibre viscoelastic re... Read More about Viscoelastically prestressed polymeric matrix composites: An investigation into fibre deformation and prestress mechanisms.

Tuning selective reflection of light by surface anchoring in cholesteric cells with oblique helicoidal structures (2018)
Journal Article
Iadlovska, O. S., Maxwell, G. R., Babakhanova, G., Mehl, G. H., Welch, C., Shiyanovskii, S. V., & Lavrentovich, O. D. (2018). Tuning selective reflection of light by surface anchoring in cholesteric cells with oblique helicoidal structures. Optics letters, 43(8), 1850-1853. https://doi.org/10.1364/ol.43.001850

Selective reflection of light by oblique helicoidal cholesteric (ChOH) can be tuned in a very broad spectral range by an applied electric field. In this work, we demonstrate that the peak wavelength of the selective reflection can be controlled by su... Read More about Tuning selective reflection of light by surface anchoring in cholesteric cells with oblique helicoidal structures.

Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity (2018)
Journal Article
Chen, L., Vivier, E., Eling, C. J., Babra, T. S., Bouillard, J. S. G., Adawi, A. M., Benoit, D. M., Hartl, F., Colquhoun, H. M., Efremova, O. A., & Greenland, B. W. (2018). Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity. Synthetic Metals, 241, 31-38. https://doi.org/10.1016/j.synthmet.2018.03.019

© 2018 An iterative synthesis has been used to produce conjugated, monodisperse, viologen-based aromatic oligomers containing up to 12 aromatic/heterocyclic rings. The methoxy-substituted oligomers were soluble in common organic solvents and could be... Read More about Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity.

The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules (2018)
Journal Article
Roggatz, C. C., Lorch, M., & Benoit, D. M. (2018). The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules. Journal of chemical theory and computation : JCTC, 14(5), 2684-2695. https://doi.org/10.1021/acs.jctc.7b01020

In this study, we assess the influence of solvation on the accuracy and reliability of isotropic nuclear magnetic shielding calculations for amino acids in comparison to experimental data. We focus particularly on the performance of solvation methods... Read More about The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules.

Cover Picture: Ann. Phys. 2'2018 (2018)
Journal Article
Verrelli, E., Michelakaki, I., Boukos, N., Kyriakou, G., & Tsoukalas, D. (2018). Cover Picture: Ann. Phys. 2'2018. Annalen der Physik, 530(2), https://doi.org/10.1002/andp.201870013

In article number 1700256, Emanuele Verrelli and co‐workers propose that cluster beam deposition of sub‐2nm magic number Au clusters, Au20 and Au55, on flat surfaces reveals a rich evolution of the phenomena taking place at substrate level. New magic... Read More about Cover Picture: Ann. Phys. 2'2018.

The furan microsolvation blind challenge for quantum chemical methods: First steps (2018)
Journal Article
Gottschalk, H. C., Poblotzki, A., Suhm, M. A., Al-Mogren, M. M., Antony, J., Auer, A. A., Baptista, L., Benoit, D. M., Bistoni, G., Bohle, F., Dahmani, R., Firaha, D., Grimme, S., Hansen, A., Harding, M. E., Hochlaf, M., Holzer, C., Jansen, G., Klopper, W., Kopp, W. A., …Mata, R. A. (2018). The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of chemical physics, 148(1), Article 014301. https://doi.org/10.1063/1.5009011

© 2018 Author(s). Herein we present the results of a blind challenge to quantum chemical methods in the calculation of dimerization preferences in the low temperature gas phase. The target of study was the first step of the microsolvation of furan, 2... Read More about The furan microsolvation blind challenge for quantum chemical methods: First steps.