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Publications (10 of 87) Show all publications
Miles, J., Fernandes, D., Young, A., Bond, C. M., Crane, S. W., Ghafur, O., . . . Greenwood, J. B. (2017). A new technique for probing chirality via photoelectron circular dichroism. Analytica Chimica Acta, 984, 134-139
Open this publication in new window or tab >>A new technique for probing chirality via photoelectron circular dichroism
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2017 (English)In: Analytica Chimica Acta, ISSN 0003-2670, E-ISSN 1873-4324, Vol. 984, p. 134-139Article in journal (Refereed) Published
Abstract [en]

We present a proof-of-principle approach for discriminating chiral enantiomers based on the phenomenon of multiphoton photoelectron circular dichroism. A novel stereo detection setup was used to measure the number of photoelectrons emitted from chiral molecules in directions parallel or antiparallel to the propagation of the ionising femtosecond laser pulses. In this study, we show how these asymmetries in the ketones camphor and fenchone depend upon the ellipticity of the laser pulses and the enantiomeric excess of the sample. By using a high repetition rate femtosecond laser, enantiomer excesses with uncertainties at the few-percent level could be measured in close to real-time. As the instrument is compact, and commercial turnkey femtosecond lasers are readily available, the development of a stand-alone chiral analysis instrument for a range of applications is now possible.

Place, publisher, year, edition, pages
Amsterdam: ELSEVIER SCIENCE BV, 2017
Keyword
Chirality, Enantiomer excess, Photoelectron spectroscopy, Time-of-flight mass spectrometry, Femtosecond laser ionization
National Category
Analytical Chemistry
Identifiers
urn:nbn:se:uu:diva-330538 (URN)10.1016/j.aca.2017.06.051 (DOI)000408360600011 ()
Available from: 2017-10-04 Created: 2017-10-04 Last updated: 2017-10-04
Goszewska, I., Gizinski, D., Zienkiewicz-Machnik, M., Lisovytskiy, D., Nikiforov, K., Masternak, J., . . . Sá, J. (2017). A novel nano-palladium catalyst for continuous-flow chemoselective hydrogenation reactions. Catalysis communications, 94, 65-68
Open this publication in new window or tab >>A novel nano-palladium catalyst for continuous-flow chemoselective hydrogenation reactions
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2017 (English)In: Catalysis communications, ISSN 1566-7367, E-ISSN 1873-3905, Vol. 94, p. 65-68Article in journal (Refereed) Published
Abstract [en]

Herein, we report a catalyst composed of palladium nanoparticles immobilized on polymeric resin for chemoselective hydrogenation reactions under flow conditions. The catalyst exhibits high activity and selectivity towards hydrogenation of C=C double bond, as confirmed in the hydrogenation of 2-heptene and 6-methyl-5-hepten-2-one.

Keyword
Flow chemoselective hydrogenation, Nano-Pd grafted on resin, 6-Methyl-5-hepten-2-one, 2-Heptene
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-322521 (URN)10.1016/j.catcom.2017.02.014 (DOI)000399852600015 ()
Available from: 2017-05-29 Created: 2017-05-29 Last updated: 2017-05-29Bibliographically approved
Gizinski, D., Goszewska, I., Zielinski, M., Lisovytskiy, D., Nikiforov, K., Masternak, J., . . . Sá, J. (2017). Chemoselective flow hydrogenation of alpha,beta - Unsaturated aldehyde with nano-nickel. Catalysis communications, 98, 17-21
Open this publication in new window or tab >>Chemoselective flow hydrogenation of alpha,beta - Unsaturated aldehyde with nano-nickel
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2017 (English)In: Catalysis communications, ISSN 1566-7367, E-ISSN 1873-3905, Vol. 98, p. 17-21Article in journal (Refereed) Published
Abstract [en]

Herein, it is presented a novel catalytic system for the continuous flow chemoselective hydrogenation of a,alpha,beta- unsaturated aldehydes used in the production of high value cosmetics and pharmaceuticals precursors. The reaction was catalyzed by nano nickel particles grafted on polymeric support, synthesized via a simple, adaptable and green methodology. The system was highly active and very selective to C=C bond saturation.

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV, 2017
Keyword
Hydrogenation in flow, Nano-nickel catalyst, Resin supported catalyst, Selective hydrogenation of alpha, beta-unsaturated, aldehydes
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-328966 (URN)10.1016/j.catcom.2017.04.048 (DOI)000403519700005 ()
Available from: 2017-09-13 Created: 2017-09-13 Last updated: 2017-09-13Bibliographically approved
Sá, J., Fernandes, D. L. A., Pavliuk, M. V. & Szlachetko, J. (2017). Controlling dark catalysis with quasi half-cycle terahertz pulses. Catalysis Science & Technology, 7(5), 1050-1054
Open this publication in new window or tab >>Controlling dark catalysis with quasi half-cycle terahertz pulses
2017 (English)In: Catalysis Science & Technology, ISSN 2044-4753, E-ISSN 2044-4761, Vol. 7, no 5, p. 1050-1054Article in journal (Refereed) Published
Abstract [en]

This study reports the changes in the platinum electronic structure induced by a strong electric field originated from quasi half-cycle THz pulses, which forces the C-O molecule to dissociate. The changes could be rationalized via a simple analysis of the local density-of-states and easily characterised via high resolution X-ray absorption spectroscopy (HR-XAS). Thus, conferring half-cycle THz pulses the capability of triggering dark catalytic processes required to follow real time catalytic bond rupture or formation, i.e., time-resolved measurements using THz as the pump and HR-XAS as the probe.

Place, publisher, year, edition, pages
ROYAL SOC CHEMISTRY, 2017
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-320254 (URN)10.1039/c6cy02651f (DOI)000396137800004 ()
Available from: 2017-04-19 Created: 2017-04-19 Last updated: 2017-04-19Bibliographically approved
Czapla-Masztafiak, J., Nogueira, J. J., Lipiec, E., Kwiatek, W. M., Wood, B. R., Deacon, G. B., . . . Sá, J. (2017). Direct Determination of Metal Complexes' Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics. Journal of Physical Chemistry Letters, 8(4), 805-811
Open this publication in new window or tab >>Direct Determination of Metal Complexes' Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics
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2017 (English)In: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 8, no 4, p. 805-811Article in journal (Refereed) Published
Abstract [en]

The lack of molecular mechanistic understanding of the interaction between metal complexes and biomolecules hampers their potential medical use. Herein we present a robust procedure combining resonant X-ray emission spectroscopy and multiscale molecular dynamics simulations, which allows for straightforward elucidation of the precise interaction mechanism at the atomic level. The report unveils an unforeseen hydrolysis process and DNA binding of [Pt{N(p-HC6F4)CH2}(2)py(2)] (Pt103), which showed potential cytotoxic activity in the past. Pt103 preferentially coordinates to adjacent adenine sites, instead of guanine sites as in cisplatin, because of its hydrogen bond ability. Comparison with previous research on cisplatin suggests that selective binding to guanine or adenine may be achieved by controlling the acidity of the compound.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC, 2017
National Category
Physical Chemistry Medicinal Chemistry
Identifiers
urn:nbn:se:uu:diva-319563 (URN)10.1021/acs.jpclett.7b00070 (DOI)000394484100016 ()28151686 (PubMedID)
Funder
Australian Research Council, FT120100926
Available from: 2017-04-06 Created: 2017-04-06 Last updated: 2018-01-13Bibliographically approved
Błachucki, W., Hoszowska, J., Dousse, J.-C., Kayser, Y., Stachura, R., Tyrała, K., . . . Szlachetko, J. (2017). High energy resolution off-resonant spectroscopy: A review. Spectrochimica Acta Part B - Atomic Spectroscopy, 136(Supplement C), 23-33
Open this publication in new window or tab >>High energy resolution off-resonant spectroscopy: A review
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2017 (English)In: Spectrochimica Acta Part B - Atomic Spectroscopy, ISSN 0584-8547, E-ISSN 1873-3565, Vol. 136, no Supplement C, p. 23-33Article, review/survey (Refereed) Published
Abstract [en]

We review the high energy resolution off-resonant spectroscopy (HEROS) technique. HEROS probes the unoccupied electronic states of matter in a single-shot manner thanks to the combination of off-resonant excitation around atomic core states using wavelength dispersive X-ray detection setups. In this review we provide a general introduction to the field of X-ray spectroscopy together with the specification of the available X-ray techniques and X-ray methodologies. Next, the theoretical description of the HEROS approach is introduced with a special focus on the derivation of the X-ray emission and X-ray absorption correspondence relation at off-resonant excitation conditions. Finally, a number of experimental HEROS reports are reviewed in the field of chemistry and material science. We emphasize the applicability of HEROS to pulsed X-ray sources, like X-ray free electron lasers, and support the review with experimental examples. The review is complemented with perspectives on and possible further applications of the HEROS technique to the field of X-ray science.

Keyword
High energy resolution off-resonant X-ray spectroscopy, Time-resolved chemical speciation, Synchrotron and X-ray free electron laser radiation
National Category
Physical Chemistry
Research subject
Physics with spec. in Atomic, Molecular and Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-337010 (URN)10.1016/j.sab.2017.08.002 (DOI)000413608500004 ()
Available from: 2017-12-19 Created: 2017-12-19 Last updated: 2018-03-23Bibliographically approved
Pavliuk, M. V., Cieślak,, A. M., Abdellah, M., Budinská, A., Pullen, S., Sokolowski, K., . . . Sá, J. (2017). Hydrogen evolution with nanoengineered ZnO interfaces decorated using a beetroot extract and a hydrogenase mimic. Sustainable Energy & Fuels, 1, 69-73
Open this publication in new window or tab >>Hydrogen evolution with nanoengineered ZnO interfaces decorated using a beetroot extract and a hydrogenase mimic
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2017 (English)In: Sustainable Energy & Fuels, ISSN 2398-4902, Vol. 1, p. 69-73Article in journal (Refereed) Published
Abstract [en]

Herein, we report a nano-hybrid photo-system based on abundant elements for H2 production with visible light. The photo-system's proficiency relates to the novel ZnO nanocrystals employed. The ZnO carboxylate oligoethylene glycol shell enhances charge separation and accumulates reactive electrons for the photocatalytic process. 

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2017
Keyword
H2 evolution
National Category
Physical Chemistry Engineering and Technology
Research subject
Chemistry with specialization in Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-335979 (URN)10.1039/c6se00066e (DOI)000422769100006 ()
Available from: 2017-12-11 Created: 2017-12-11 Last updated: 2018-04-03Bibliographically approved
Pavliuk, M. V., Fernandes, A. B., Abdellah, M., Fernandes, D. L. A., Machado, C. ., Rocha, I., . . . Sá, J. (2017). Nano-hybrid plasmonic photocatalyst for hydrogen production at 20% efficiency. Scientific Reports, 7, Article ID 8670.
Open this publication in new window or tab >>Nano-hybrid plasmonic photocatalyst for hydrogen production at 20% efficiency
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2017 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 7, article id 8670Article in journal (Refereed) Published
Abstract [en]

The efficient conversion of light energy into chemical energy is key for sustainable human development. Several photocatalytic systems based on photovoltaic electrolysis have been used to produce hydrogen via water reduction. However, in such devices, light harvesting and proton reduction are carried separately, showing quantum efficiency of about 10–12%. Here, we report a nano-hybrid photocatalytic assembly that enables concomitant reductive hydrogen production and pollutant oxidation with solar-to-fuel efficiencies up to 20%. The modular architecture of this plasmonic material allows the fine-tuning of its photocatalytic properties by simple manipulation of a reduced number of basic components.

National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials; Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-328630 (URN)10.1038/s41598-017-09261-7 (DOI)000407864400051 ()
Funder
The Swedish Foundation for International Cooperation in Research and Higher Education (STINT), IB2015-6474
Available from: 2017-08-28 Created: 2017-08-28 Last updated: 2017-12-28Bibliographically approved
Fernandes, D. L. A., Budinska, A., Pavliuk, M. V. & Sá, J. (2017). Novel photo-reactor for fast screening of photo-catalytic systems. Journal of Photochemistry and Photobiology A: Chemistry, 335, 36-39
Open this publication in new window or tab >>Novel photo-reactor for fast screening of photo-catalytic systems
2017 (English)In: Journal of Photochemistry and Photobiology A: Chemistry, ISSN 1010-6030, E-ISSN 1873-2666, Vol. 335, p. 36-39Article in journal (Refereed) Published
Abstract [en]

Photo-catalysis is an emerging technology for clean energy production, organic synthesis and environmental protection, etc. While there is a hydrogen of systems and schemes to attain these objectives, there is a paucity of photo-reactors capable of determine catalytic abilities in real time with reduce amounts of samples, i.e., fast-screening of catalyst and reaction parameters. Herein, we report a novel photo-reactor for simultaneous online monitoring of gaseous products with quadrupole mass spectrometry and photo-physics with fibre optic UV/Vis with millisecond time resolution on 4 mL cuvettes.

Keyword
Photo-reactor, Fast analysis, Fast-screening, Combined spectroscopy
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-317584 (URN)10.1016/j.jphotochem.2016.11.015 (DOI)000393529000005 ()
Funder
The Swedish Foundation for International Cooperation in Research and Higher Education (STINT), IB2015-6474Swedish Research Council, 2015-03764
Available from: 2017-03-22 Created: 2017-03-22 Last updated: 2017-11-29Bibliographically approved
Garlisi, C., Szlachetko, J., Aubry, C., Fernandes, D. L. A., Hattori, Y., Paun, C., . . . Palmisano, G. (2017). N-TiO2/Cu-TiO2 double-layer films: Impact of stacking order on photocatalytic properties. Journal of Catalysis, 353, 116-122
Open this publication in new window or tab >>N-TiO2/Cu-TiO2 double-layer films: Impact of stacking order on photocatalytic properties
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2017 (English)In: Journal of Catalysis, ISSN 0021-9517, E-ISSN 1090-2694, Vol. 353, p. 116-122Article in journal (Refereed) Published
Abstract [en]

In this work, we report for the first time a unique configuration of N-doped and Cu-doped TiO2 bilayer. The activity of TiO2 was improved by combining Cu- and N-doping in a layered thin-film structure. The impact of the stacking order was studied, pointing out how the best arrangement is by far the one with Cu-TiO2 as the top layer. The results reveal a unique and simple way to enhance the photocatalytic response of TiO2 in the visible domain.

Place, publisher, year, edition, pages
ACADEMIC PRESS INC ELSEVIER SCIENCE, 2017
Keyword
N-TiO2/Cu-TiO2 films, Stacking order, Photocatalytic oxidation
National Category
Chemical Sciences
Identifiers
urn:nbn:se:uu:diva-335413 (URN)10.1016/j.jcat.2017.06.028 (DOI)000410468300014 ()
Available from: 2017-12-06 Created: 2017-12-06 Last updated: 2017-12-06Bibliographically approved
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0003-2124-9510

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