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The first microsolvation step for furans : new experiments and benchmarking strategies (2020)
Journal Article
Gottschalk, H. C., Poblotzki, A., Fatima, M., Obenchain, D. A., Pérez, C., Antony, J., …Schnell, M. (2020). The first microsolvation step for furans : new experiments and benchmarking strategies. The Journal of chemical physics, 152(16), 164303. https://doi.org/10.1063/5.0004465

The site-specific first microsolvation step of furan and some of its derivatives with methanol is explored to benchmark the ability of quantum-chemical methods to describe the structure, energetics, and vibrational spectrum at low temperature. Infrar... Read More about The first microsolvation step for furans : new experiments and benchmarking strategies.

Pattern formation in two-dimensional hard-core/soft-shell systems with variable soft shell profiles (2020)
Journal Article
Somerville, W. R. C., Law, A. D., Rey, M., Vogel, N., Archer, A. J., & Buzza, D. M. A. (2020). Pattern formation in two-dimensional hard-core/soft-shell systems with variable soft shell profiles. Soft matter, https://doi.org/10.1039/d0sm00092b

Hard-core/soft shell (HCSS) particles have been shown to self-assemble into a remarkably rich variety of structures under compression due to the simple interplay between the hard-core and soft-shoulder length scales in their interactions. Most studie... Read More about Pattern formation in two-dimensional hard-core/soft-shell systems with variable soft shell profiles.

Temperature dependence of bend elastic constant in oblique helicoidal cholesterics (2020)
Journal Article
Iadlovska, O. S., Babakhanova, G., Mehl, G. H., Welch, C., Cruickshank, E., Strachan, G. J., …Shiyanovskii, S. V. (2020). Temperature dependence of bend elastic constant in oblique helicoidal cholesterics. Physical Review Research, 2(1), https://doi.org/10.1103/physrevresearch.2.013248

Elastic moduli of liquid crystals, known as Frank constants, are of quintessential importance for understanding fundamental properties of these materials and for the design of their applications. Although there are many methods to measure the Frank... Read More about Temperature dependence of bend elastic constant in oblique helicoidal cholesterics.

Removal of Human Leukemic Cells from Peripheral Blood Mononuclear Cells by Cell Recognition Chromatography with Size Matched Particle Imprints (2020)
Journal Article
Chester, R., Das, A. A. K., Medlock, J., Nees, D., Allsup, D. J., Madden, L. A., & Paunov, V. N. (2020). Removal of Human Leukemic Cells from Peripheral Blood Mononuclear Cells by Cell Recognition Chromatography with Size Matched Particle Imprints. ACS Applied Bio Materials, 3(2), 789-800. https://doi.org/10.1021/acsabm.9b00770

We report a cell recognition chromatography approach for blood cancer cell separation from healthy peripheral blood mononuclear cells (PBMCs) based on sizematched functionalized particle imprints. Negative imprints were prepared from layers of 15 μm... Read More about Removal of Human Leukemic Cells from Peripheral Blood Mononuclear Cells by Cell Recognition Chromatography with Size Matched Particle Imprints.

Surface-Modified Zinc Oxide Nanoparticles for Antialgal and Antiyeast Applications (2020)
Journal Article
Halbus, A. F., Horozov, T. S., & Paunov, V. N. (2020). Surface-Modified Zinc Oxide Nanoparticles for Antialgal and Antiyeast Applications. ACS Applied Nano Materials, 3(1), 440-451. https://doi.org/10.1021/acsanm.9b02045

We explored the factors and mechanisms of the anti-yeast and anti-algal effect of zinc oxide nanoparticles (ZnONPs) coated with zinc sulfide (ZnS), silica (SiO2), poly(sodium 4-styrene sulfonate) sodium salt (PSS) and poly(allylamine hydrochloride) (... Read More about Surface-Modified Zinc Oxide Nanoparticles for Antialgal and Antiyeast Applications.

A cholesteric liquid crystal device having stable uniform lying helix structure (2019)
Journal Article
Yip, W., Welch, C., Mehl, G. H., & Wilkinson, T. D. (2020). A cholesteric liquid crystal device having stable uniform lying helix structure. Journal of Molecular Liquids, 299, https://doi.org/10.1016/j.molliq.2019.112141

A cholesteric liquid crystal device having the uniform lying helix (ULH) structure shows stable and reversible characteristics and it has been demonstrated for the analogue modulation in 10 micro-second response time at room temperature. The device c... Read More about A cholesteric liquid crystal device having stable uniform lying helix structure.

"Ghost" silica nanoparticles of "host"-inherited antibacterial action (2019)
Journal Article
Halbus, A. F., Horozov, T. S., & Paunov, V. N. (2019). "Ghost" silica nanoparticles of "host"-inherited antibacterial action. ACS applied materials & interfaces, 11(42), 38519−38530. https://doi.org/10.1021/acsami.9b14403

Copyright © 2019 American Chemical Society. We fabricated surface-rough mesoporous silica nanoparticles ("ghost" SiO2NPs) by using composite mesoporous copper oxide nanoparticles ("host" CuONPs) as templates, which allowed us to mimic their surface m... Read More about "Ghost" silica nanoparticles of "host"-inherited antibacterial action.

Fabrication of Human Keratinocyte Cell Clusters for Skin Graft Applications by Templating Water-in-Water Pickering Emulsions (2019)
Journal Article
Celik, S., Dominici, S., Filby, B., Das, A., Madden, L., & Paunov, V. (2019). Fabrication of Human Keratinocyte Cell Clusters for Skin Graft Applications by Templating Water-in-Water Pickering Emulsions. Biomimetics, 4(3), https://doi.org/10.3390/biomimetics4030050

Most current methods for the preparation of tissue spheroids require complex materials, involve tedious physical steps and are generally not scalable. We report a novel alternative, which is both inexpensive and up-scalable, to produce large quantiti... Read More about Fabrication of Human Keratinocyte Cell Clusters for Skin Graft Applications by Templating Water-in-Water Pickering Emulsions.

Controlling the antimicrobial action of surface modified magnesium hydroxide nanoparticles (2019)
Journal Article
Halbus, A. F., Horozov, T. S., & Paunov, V. N. (2019). Controlling the antimicrobial action of surface modified magnesium hydroxide nanoparticles. Biomimetics, 4(2), https://doi.org/10.3390/biomimetics4020041

Magnesium hydroxide nanoparticles (Mg(OH)2NPs) have recently attracted significant attention due to their wide applications as environmentally friendly antimicrobial nanomaterials, with potentially low toxicity and low fabrication cost. Here, we desc... Read More about Controlling the antimicrobial action of surface modified magnesium hydroxide nanoparticles.

Oligomeric odd-even effect in liquid crystals (2019)
Journal Article
Saha, R., Babakhanova, G., Parsouzi, Z., Rajabi, M., Gyawali, P., Welch, C., …Jakli, A. (2019). Oligomeric odd-even effect in liquid crystals. Materials Horizons, https://doi.org/10.1039/c9mh00428a

Odd-even effects, oscillations in properties of materials comprised of an odd or even number of connected repeating units, are well-known phenomena in materials science. In organic materials, they are usually associated with the number of methylene... Read More about Oligomeric odd-even effect in liquid crystals.

Percolation threshold enables optical resistive‐memory switching and light‐tuneable synaptic learning in segregated nanocomposites (2019)
Journal Article
Jaafar, A. H., O'Neill, M., Kelly, S. M., Verrelli, E., & Kemp, N. T. (2019). Percolation threshold enables optical resistive‐memory switching and light‐tuneable synaptic learning in segregated nanocomposites. Advanced Electronic Materials, 5(7), https://doi.org/10.1002/aelm.201900197

An optical memristor where the electrical resistance memory depends on the history of both the current flowing through the device and the irradiance of incident light onto it is demonstrated. It is based on a nanocomposite consisting of functionalize... Read More about Percolation threshold enables optical resistive‐memory switching and light‐tuneable synaptic learning in segregated nanocomposites.

Bioimprint aided cell recognition and depletion of human leukemic HL60 cells from peripheral blood (2019)
Journal Article
Das, A. A., Medlock, J., Liang, H., Nees, D., Allsup, D. J., Madden, L. A., & Paunov, V. N. (2019). Bioimprint aided cell recognition and depletion of human leukemic HL60 cells from peripheral blood. Journal of materials chemistry B, Materials for biology and medicine /, 7(22), 3497-3504. https://doi.org/10.1039/c9tb00679f

We report a large scale preparation of bioimprints of layers of cultured human leukemic HL60 cells which can perform cell shape and size recognition from a mixture with peripheral blood mononuclear cells (PBMCs). We demonstrate that the bioimprint-ce... Read More about Bioimprint aided cell recognition and depletion of human leukemic HL60 cells from peripheral blood.

Self-grafting copper oxide nanoparticles show a strong enhancement of their anti-algal and anti-yeast action (2019)
Journal Article
Halbus, A. F., Horozov, T. S., & Paunov, V. N. (2019). Self-grafting copper oxide nanoparticles show a strong enhancement of their anti-algal and anti-yeast action. Nanoscale advances, 1(6), 2323-2336. https://doi.org/10.1039/c9na00099b

© 2019 The Royal Society of Chemistry. We have developed and tested copper oxide nanoparticles (CuONPs) grafted with (3-glycidyloxypropyl)trimethoxysilane (GLYMO) and coupled with 4-hydroxyphenylboronic acid (4-HPBA), which provides a very strong boo... Read More about Self-grafting copper oxide nanoparticles show a strong enhancement of their anti-algal and anti-yeast action.

H2, HD, and D2 in the small cage of structure II clathrate hydrate: vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates (2019)
Journal Article
Lauvergnat, D., Felker, P., Scribano, Y., Benoit, D. M., & Bačić, Z. (2019). H2, HD, and D2 in the small cage of structure II clathrate hydrate: vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates. The Journal of chemical physics, 150(15), https://doi.org/10.1063/1.5090573

We report the first fully coupled quantum six-dimensional (6D) bound-state calculations of the vibration-translation-rotation eigenstates of a flexible H2, HD, and D2 molecule confined inside the small cage of the structure II clathrate hydrate embed... Read More about H2, HD, and D2 in the small cage of structure II clathrate hydrate: vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates.

Synthesis of super bright indium phosphide colloidal quantum dots through thermal diffusion (2019)
Journal Article
Clarke, M. T., Viscomi, F. N., Chamberlain, T. W., Hondow, N., Adawi, A. M., Sturge, J., …Stasiuk, G. J. (2019). Synthesis of super bright indium phosphide colloidal quantum dots through thermal diffusion. Communications Chemistry, 2(1), https://doi.org/10.1038/s42004-019-0138-z

Indium phosphide based quantum dots have emerged in recent years as alternatives to traditional heavy metal (cadmium, lead) based materials suitable for biomedical application due to their non-toxic nature. The major barrier to this application, is t... Read More about Synthesis of super bright indium phosphide colloidal quantum dots through thermal diffusion.

Hierarchically structured composites and porous materials from soft templates: fabrication and applications (2019)
Journal Article
Thompson, B. R., Horozov, T. S., Stoyanov, S. D., & Paunov, V. N. (in press). Hierarchically structured composites and porous materials from soft templates: fabrication and applications. Journal of materials chemistry. publ. by The Royal Society of Chemistry. A, Materials for energy and sustainability /, 7(14), 8030-8049. https://doi.org/10.1039/c8ta09750j

Recent experimental methods for fabrication of hierarchically porous and structured composites are reviewed. The main focus is on recent examples of how different soft templating materials, like emulsions, surfactant phases, breath figures, biologica... Read More about Hierarchically structured composites and porous materials from soft templates: fabrication and applications.

Cyclotrimerization of alkynes catalyzed by a self-supported cyclic tri-nuclear nickel(0) complex with α-diimine ligands (2019)
Journal Article
Shen, L., Zhao, Y., Luo, Q., Li, Q., Liu, B., Redshaw, C., …Yang, X. (2019). Cyclotrimerization of alkynes catalyzed by a self-supported cyclic tri-nuclear nickel(0) complex with α-diimine ligands. Dalton transactions : an international journal of inorganic chemistry / RSoC, 48(14), 4643-4649. https://doi.org/10.1039/c9dt00819e

A cyclic tri-nuclear α-diimine nickel(0) complex [{Ni(μ-LMe-2,4)}3] (2) was synthesized from a “pre-organized”, trimerized trigonal LNiBr2-type precursor [Ni3(μ2-Br)3(μ3-Br)2(LMe-2,4)3]·Br (1; LMe-2,4 = [(2,4-Me2C6H3)NC(Me)]2). In complex 2, the α-di... Read More about Cyclotrimerization of alkynes catalyzed by a self-supported cyclic tri-nuclear nickel(0) complex with α-diimine ligands.

Strongly Enhanced Antibacterial Action of Copper Oxide Nanoparticles with Boronic Acid Surface Functionality (2019)
Journal Article
Halbus, A. F., Horozov, T. S., & Paunov, V. N. (2019). Strongly Enhanced Antibacterial Action of Copper Oxide Nanoparticles with Boronic Acid Surface Functionality. ACS applied materials & interfaces, 11(13), 12232-12243. https://doi.org/10.1021/acsami.8b21862

Copper oxide nanoparticles (CuONPs) have been widely recognized as good antimicrobial agents but are heavily regulated due to environmental concerns of their postuse. In this work, we have developed and tested a novel type of formulation for copper o... Read More about Strongly Enhanced Antibacterial Action of Copper Oxide Nanoparticles with Boronic Acid Surface Functionality.

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.


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