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  • 1. Abdala, Paula M
    et al.
    Safonova, Olga V
    Wiker, Geir
    van Beek, Wouter
    Emerich, Herman
    van Bokhoven, Jeroen A
    Sá, Jacinto
    Szlachetko, Jakub
    Nachtegaal, Maarten
    Scientific opportunities for heterogeneous catalysis research at the SuperXAS and SNBL beam lines.2012In: Chimia (Basel), ISSN 0009-4293, Vol. 66, no 9, p. 699-705Article in journal (Refereed)
    Abstract [en]

    In this short review, we describe the complementary experimental capabilities for catalysis research at two beam lines available to the Swiss community, SuperXAS at SLS (Swiss Light Source, Villigen) and SNBL (Swiss Norwegian Beam lines) at ESRF (European Synchrotron Radiation Facility, Grenoble). Over the years, these two facilities have been developed to provide powerful techniques for structural studies under in situ and operando conditions. These techniques, X-ray diffraction (XRD), X-ray absorption spectroscopy (XAS), and X-ray emission spectroscopy (XES) in combination with Raman or infrared spectroscopy provide new avenues for structure-performance studies of catalysts. Several exemplary studies are used to demonstrate the capability of these facilities.

  • 2.
    Antila, Liisa J.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Santomauro, Fabio G.
    Hammarström, Leif
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Fernandes, Daniel L. A.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Sa, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Hunting for the elusive shallow traps in TiO2 anatase2015In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 51, no 54, p. 10914-10916Article in journal (Refereed)
    Abstract [en]

    Understanding electron mobility on TiO2 is crucial because of its applications in photocatalysis and solar cells. This work shows that shallow traps believed to be involved in electron migration in TiO2 conduction band are formed upon band gap excitation, i.e., are not pre-existing states. The shallow traps in TiO2 results from large polarons and are not restricted to surface.

  • 3. Barrabes, Noelia
    et al.
    Foettinger, Karin
    Llorca, Jordi
    Dalinov, Anton
    Medina, Francesc
    Sa, Jacinto
    Hardacre, Christopher
    Rupprechter, Guenther
    Pretreatment Effect on Pt/CeO2 Catalyst in the Selective Hydrodechlorination of Trichloroethylene2010In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 114, no 41, p. 17675-17682Article in journal (Refereed)
  • 4. Barrabes, Noelia
    et al.
    Sa, Jacinto
    Catalytic nitrate removal from water, past, present and future perspectives2011In: Applied Catalysis B: Environmental, ISSN 0926-3373, E-ISSN 1873-3883, Vol. 104, no 1-2, p. 1-5Article in journal (Refereed)
  • 5. Berger, Gilles
    et al.
    Fusaro, Luca
    Luhmer, Michel
    Czapla-Masztafiak, Joanna
    Lipiec, Ewelina
    Szlachetko, Jakub
    Kayser, Yves
    Fernandes, Daniel L. A.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Sa, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Dufrasne, Francois
    Bombard, Sophie
    Insights into the structure-activity relationships of chiral 1,2-diaminophenylalkane platinum(II) anticancer derivatives2015In: Journal of Biological Inorganic Chemistry, ISSN 0949-8257, E-ISSN 1432-1327, Vol. 20, no 5, p. 841-853Article in journal (Refereed)
    Abstract [en]

    The structure-activity relationships of chiral 1,2-diaminophenylalkane platinum(II) anticancer derivatives are studied, including interactions with telomeric- and genomic-like DNA sequences, the pKa of their diaqua species, structural properties obtained from DFT calculations and resonant X-ray emission spectroscopy. The binding modes of the compounds to telomeric sequences were elucidated, showing no major differences with conventional cis-platinum(II) complexes like cisplatin, supporting that the cis-square planar geometry governs the binding of small Pt(II) complexes to G4 structures. Double-stranded DNA platination kinetics and acid-base constants of the diaqua species of the compounds were measured and compared, highlighting a strong steric dependence of the DNA-binding kinetics, but independent to stereoisomerism. Structural features of the compounds are discussed on the basis of dispersion-corrected DFT, showing that the most active series presents conformers for which the platinum atom is well devoid of steric hindrance. If reactivity indices derived from conceptual DFT do not show evidences for different reactivity between the compounds, RXES experiments provide new insight into the availability of platinum orbitals for binding to nucleophiles.

  • 6. Blachucki, Wojciech
    et al.
    Szlachetko, Jakub
    Kayser, Yves
    Dousse, Jean-Claude
    Hoszowska, Joanna
    Fernandes, Daniel L. Abreu
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Sa, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Study of the reactivity of silica supported tantalum catalysts with oxygen followed by in situ HEROS2015In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 17, no 28, p. 18262-18264Article in journal (Refereed)
    Abstract [en]

    We report on the reactivity of grafted tantalum organometallic catalysts with molecular oxygen. The changes in the local Ta electronic structure were followed by in situ high-energy resolution off-resonant spectroscopy (HEROS). The results revealed agglomeration and formation of Ta dimers, which cannot be reversed. The process occurs independently of starting grafted complex.

  • 7.
    Blachucki, Wojciech
    et al.
    Univ Fribourg, Dept Phys, Chemin Musee 3, CH-1700 Fribourg, Switzerland..
    Szlachetko, Jakub
    Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland.;Jan Kochanowski Univ Humanities & Sci, Inst Phys, PL-25406 Kielce, Poland..
    Kayser, Yves
    Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland..
    Dousse, Jean-Claude
    Univ Fribourg, Dept Phys, Chemin Musee 3, CH-1700 Fribourg, Switzerland..
    Hoszowska, Joanna
    Univ Fribourg, Dept Phys, Chemin Musee 3, CH-1700 Fribourg, Switzerland..
    Zeeshan, Faisal
    Univ Fribourg, Dept Phys, Chemin Musee 3, CH-1700 Fribourg, Switzerland..
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.
    In situ high energy resolution off-resonant spectroscopy applied to a time-resolved study of single site Ta catalyst during oxidation2017In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, ISSN 0168-583X, E-ISSN 1872-9584, Vol. 411, p. 63-67Article in journal (Refereed)
    Abstract [en]

    In the present work high energy resolution off-resonant X-ray spectroscopy (HEROS) was employed at a synchrotron to study a silica supported Ta(V) bisalkyl catalyst activated in hydrogen. The Ta L alpha(1) HEROS spectra were measured during oxidation of the starting complex and the relative species' concentration was successfully retrieved as a function of time using the fingerprint HEROS spectra measured for the unoxidized and the oxidized catalyst. Based on the experimental data and theory-based calculations, it was shown that oxidation of the active Ta catalyst leads to the formation of mono- and di-meric species on the SiO2 surface. The obtained results were compared to those of the previously reported time resolved HEROS study on an inactive silica supported Ta(V) bisalkyl catalyst's concentration evolution during its oxidation Blachucki et al. (2015). The study allowed observation of an immediate transition of the active Ta catalyst from its unoxidized form to the oxidized one. This finding is dissimilar to the result of the study on the inactive Ta catalyst, where the oxidation led through an intermediate step.

  • 8.
    Bonarowska, Magdalena
    et al.
    Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.
    Zielinski, Maciej
    Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.
    Matus, Krzysztof
    Silesian Tech Univ, Inst Engn Mat & Biomat, Gliwice, Poland.
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.
    Srebowata, Anna
    Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.
    Influence of microwave activation on the catalytic behavior of Pd-Au/C catalysts employed in the hydrodechlorination of tetrachloromethane2018In: Reaction Kinetics, Mechanisms and Catalysis, ISSN 1878-5190, E-ISSN 1878-5204, Vol. 124, no 1, p. 375-388Article in journal (Refereed)
    Abstract [en]

    This work investigates the influence of activation by microwave irradiation on the catalytic properties of Pd-Au/C-Sibunit catalysts in the hydrodechlorination of CCl4. Pd and Pd-Au samples were thoroughly characterized by CO chemisorption, X-ray diffraction, TPHD and STEM, and used in gas phase hydrodechlorination of tetrachloromethane. The studies showed that homogenous Pd-Au alloys are formed more efficiently if short-time microwave activation is applied instead of conventional activation by H-2 reduction at 380 A degrees C. These catalysts show higher activity, stability and higher selectivity towards the desired products (C1-C5 hydrocarbons) than the catalysts activated by conventional reduction in 10%H-2/Ar flow.

  • 9.
    Błachucki, Wojciech
    et al.
    Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw 01-224, Poland.
    Hoszowska, Joanna
    Department of Physics, University of Fribourg, Chemin du Musée 3, CH-1700 Fribourg, Switzerland.
    Dousse, Jean-Claude
    Department of Physics, University of Fribourg, Chemin du Musée 3, CH-1700 Fribourg, Switzerland.
    Kayser, Yves
    Physikalisch-Technische Bundesanstalt (PTB), Abbestr. 2-12, Berlin 10587,Germany.
    Stachura, Regina
    Institute of Physics, Jan Kochanowski University, Kielce 25-406, Poland.
    Tyrała, Krzysztof
    Institute of Physics, Jan Kochanowski University, Kielce 25-406, Poland.
    Wojtaszek, Klaudia
    Institute of Physics, Jan Kochanowski University, Kielce 25-406, Poland.
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw 01-224, Poland.
    Szlachetko, Jakub
    Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw 01-224, Poland.;Institute of Physics, Jan Kochanowski University, Kielce 25-406, Poland.
    High energy resolution off-resonant spectroscopy: A review2017In: Spectrochimica Acta Part B - Atomic Spectroscopy, ISSN 0584-8547, E-ISSN 1873-3565, Vol. 136, no Supplement C, p. 23-33Article, review/survey (Refereed)
    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.

  • 10. Cairns, Marie-Louise
    et al.
    Dickson, Glenn R
    Orr, John F
    Farrar, David
    Hardacre, Christopher
    Sa, Jacinto
    Lemoine, Patrick
    Mughal, Muhammad Zeeshan
    Buchanan, Fraser J
    The potential of electron beam radiation for simultaneous surface modification and bioresorption control of PLLA.2012In: Journal of Biomedical Materials Research. Part A, ISSN 1549-3296, E-ISSN 1552-4965, Vol. 100, no 9, p. 2223-9Article in journal (Refereed)
    Abstract [en]

    Bioresorbable polymers have been widely investigated as materials exhibiting significant potential for successful application in the fields of tissue engineering and drug delivery. Further to the ability to control degradation, surface engineering of polymers has been highlighted as a key method central to their development. Previous work has demonstrated the ability of electron beam (e-beam) technology to control the degradation profiles and bioresorption of a number of commercially relevant bioresorbable polymers (poly-l-lactic acid (PLLA), L-lactide/DL-lactide co-polymer (PLDL) and poly(lactic-co-glycolic acid (PLGA)). This work investigates the further potential of e-beam technology to impart added biofunctionality through the manipulation of polymer (PLLA) surface properties. PLLA samples were subjected to e-beam treatments in air, with varying beam energies and doses. Surface characterization was then performed using contact angle analysis, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and atomic force microscopy. Results demonstrated a significant increase in surface wettability post e-beam treatment. In correlation with this, XPS data showed the introduction of oxygen-containing functional groups to the surface of PLLA. Raman spectroscopy indicated chain scission in the near surface region of PLLA (as predicted). However, e-beam effects on surface properties were not shown to be dependent on beam energy or dose. E-beam irradiation did not seem to affect the surface roughness of PLLA as a direct consequence of the treatment.

  • 11. Campbell, Paul S.
    et al.
    Santini, Catherine C.
    Bayard, Francois
    Chauvin, Yves
    Colliere, Vincent
    Podgorsek, Ajda
    Gomes, Margarida F. Costa
    Sa, Jacinto
    Olefin hydrogenation by ruthenium nanoparticles in ionic liquid media: Does size matter?2010In: Journal of Catalysis, ISSN 0021-9517, E-ISSN 1090-2694, Vol. 275, no 1, p. 99-107Article in journal (Refereed)
  • 12.
    Cieslak, Anna M.
    et al.
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Pavliuk, Mariia V.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    D'Amario, Luca
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Abdellah, Mohamed
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Sokolowski, Kamil
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Rybinska, Urszula
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Fernandes, Daniel L. A.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Leszczynski, Michal K.
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Mamedov, Fikret
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    El-Zhory, Ahmed M.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Föhlinger, Jens
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Budinska, Alena
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Wolska-Pietkiewicz, Malgorzata
    Warsaw Univ Technol, Fac Chem, PL-00661 Warsaw, Poland..
    Hammarström, Leif
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Lewinski, Janusz
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.;Warsaw Univ Technol, Fac Chem, PL-00661 Warsaw, Poland..
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Ultra long-lived electron-hole separation within water-soluble colloidal ZnO nanocrystals: Prospective Applications For Solar Energy Production2016In: Nano Energy, ISSN 2211-2855, Vol. 30, p. 187-192Article in journal (Refereed)
    Abstract [en]

    Zinc oxide was one of the first semiconductors used in dye-sensitized solar cells but its instability in aqueous media precludes its use for large-scale applications. Herein, we report on a novel ZnO nanocrystal material derived by an organometallic approach that is simultaneously stable and soluble in water due to its carboxylate oligoethylene glycol shell strongly anchored to the inorganic core by the head groups. The resulting unique inorganic core-organic shell interface also stabilizes the photo-generated hole, leading to a dramatic slowing down of charge recombination, which otherwise is a major hurdle in using nanostructured ZnO.

  • 13.
    Czapla-Masztafiak, Joanna
    et al.
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.;PSI, CH-5232 Villigen, Switzerland..
    Nogueira, Juan J.
    Univ Vienna, Inst Theoret Chem, Fac Chem, Wahringer Str 17, A-1090 Vienna, Austria..
    Lipiec, Ewelina
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.;Swiss Fed Inst Technol, Vladimir Prelog Weg 1-5-10, CH-8093 Zurich, Switzerland..
    Kwiatek, Wojciech M.
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland..
    Wood, Bayden R.
    Monash Univ, Sch Chem, Ctr Biospectroscopy, Victoria 3800, Australia..
    Deacon, Glen B.
    Monash Univ, Sch Chem, Fac Sci, Clayton, Vic 3800, Australia..
    Kayser, Yves
    PSI, CH-5232 Villigen, Switzerland..
    Fernandes, Daniel L. A.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Pavliuk, Mariia V.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Szlachetko, Jakub
    PSI, CH-5232 Villigen, Switzerland.;Jan Kochanowski Univ Humanities & Sci, Inst Phys, Swietokrzyska 15 St, PL-25406 Kielce, Poland..
    Gonzalez, Leticia
    Univ Vienna, Inst Theoret Chem, Fac Chem, Wahringer Str 17, A-1090 Vienna, Austria..
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Ul Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Direct Determination of Metal Complexes' Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics2017In: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 8, no 4, p. 805-811Article in journal (Refereed)
    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.

  • 14.
    Czapla-Masztafiak, Joanna
    et al.
    Paul Scherrer Inst, Villigen, Switzerland.;Polish Acad Sci, Inst Nucl Phys, Krakow, Poland..
    Szlachetko, Jakub
    Paul Scherrer Inst, Villigen, Switzerland.;Jan Kochanowski Univ Humanities & Sci, Inst Phys, Kielce, Poland..
    Milne, Christopher J.
    Paul Scherrer Inst, Villigen, Switzerland..
    Lipiec, Ewelina
    Sa, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland..
    Penfold, Thomas J.
    Newcastle Univ, Dept Chem, Bedson Bldg, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England..
    Huthwelker, Thomas
    Paul Scherrer Inst, Villigen, Switzerland..
    Borca, Camelia
    Paul Scherrer Inst, Villigen, Switzerland..
    Abela, Rafael
    Paul Scherrer Inst, Villigen, Switzerland..
    Kwiatek, Wojciech M.
    Polish Acad Sci, Inst Nucl Phys, Krakow, Poland..
    Investigating DNA Radiation Damage Using X-Ray Absorption Spectroscopy2016In: Biophysical Journal, ISSN 0006-3495, E-ISSN 1542-0086, Vol. 110, no 6, p. 1304-1311Article in journal (Refereed)
    Abstract [en]

    The biological influence of radiation on living matter has been studied for years; however, several questions about the detailed mechanism of radiation damage formation remain largely unanswered. Among all biomolecules exposed to radiation, DNA plays an important role because any damage to its molecular structure can affect the whole cell and may lead to chromosomal rearrangements resulting in genomic instability or cell death. To identify and characterize damage induced in the DNA sugar-phosphate backbone, in this work we performed x-ray absorption spectroscopy at the P K-edge on DNA irradiated with either UVA light or protons. By combining the experimental results with theoretical calculations, we were able to establish the types and relative ratio of lesions produced by both UVA and protons around the phosphorus atoms in DNA.

  • 15.
    Fernandes, Daniel L. A.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Budinska, Alena
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Pavliuk, Mariia V.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Novel photo-reactor for fast screening of photo-catalytic systems2017In: Journal of Photochemistry and Photobiology A: Chemistry, ISSN 1010-6030, E-ISSN 1873-2666, Vol. 335, p. 36-39Article in journal (Refereed)
    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.

  • 16.
    Fernandes, Daniel L. A.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Paun, Cristina
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Pavliuk, Mariia V.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Fernandes, Arthur B.
    Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, BR-05508000 Sao Paulo, Brazil..
    Bastos, Erick L.
    Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, BR-05508000 Sao Paulo, Brazil..
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Green microfluidic synthesis of monodisperse silver nanoparticles via genetic algorithm optimization2016In: RSC Advances, ISSN 2046-2069, E-ISSN 2046-2069, Vol. 6, no 98, p. 95693-95697Article in journal (Refereed)
    Abstract [en]

    A scalable and green procedure for the microfluidic flow synthesis of monodisperse silver nanoparticles is reported. Beetroot extract is used both as a reducing and growth-regulating agent. A multi-objective genetic algorithm was used to automate the optimization of the reaction and reduce sample polydispersity observed in previous reports. The proposed methodology ensures high-quality nanoparticles in a rapidly manner and devoid of human skill or intuition, essential for method standardization and implementation.

  • 17.
    Fernandes, Daniel L. A.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Pavliuk, Maria V.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Sa, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    A 3D printed microliquid jet with an adjustable nozzle diameter2015In: The Analyst, ISSN 0003-2654, E-ISSN 1364-5528, Vol. 140, no 18, p. 6234-6238Article in journal (Refereed)
    Abstract [en]

    Microliquid jets have many applications, in particular in the fields of spectroscopy/analysis of samples susceptible to beam damage. Herein, we report a microliquid jet, manufactured with 3D printing technology, with a tuneable nozzle diameter output. This strategy increases the breadth of techniques that can be covered with a single microliquid jet.

  • 18. Friedli, Peter
    et al.
    Sigg, Hans
    Sá, Jacinto
    Dye-injected electron trapping in TiO2 determined by broadband transient infrared spectroscopy.2014In: Photochemical and Photobiological Sciences, ISSN 1474-905X, E-ISSN 1474-9092, Vol. 13, no 10, p. 1393-6Article in journal (Refereed)
    Abstract [en]

    We report the dynamics of electrons injected into TiO2 due to the excitation of Ru-N719 dye at 532 nm. The synchrotron based broadband transient mid-IR spectroscopy revealed that the injected electrons are quickly confined to a trap state with an average energy of ca. 240 meV below the conduction band. The average energy of the trapping states did not change with the increase of the delay time, suggesting a singular electronic identity of the trap states.

  • 19.
    Garlisi, Corrado
    et al.
    Khalifa Univ Sci & Technol, Dept Chem Engn, Masdar Inst, POB 54224, Abu Dhabi, U Arab Emirates..
    Szlachetko, Jakub
    Jan Kochanowski Univ Humanities & Sci, Inst Phys, Kielce, Poland.;Polish Acad Sci, Inst Phys Chem, Warsaw, Poland..
    Aubry, Cyril
    Khalifa Univ Sci & Technol, Dept Mech Engn, Masdar Inst, POB 54224, Abu Dhabi, U Arab Emirates..
    Fernandes, Daniel L. A.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Hattori, Yocefu
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Paun, Cristina
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Pavliuk, Mariia V.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Rajput, Nitul S.
    Khalifa Univ Sci & Technol, Dept Mech Engn, Masdar Inst, POB 54224, Abu Dhabi, U Arab Emirates..
    Lewin, Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.
    Palmisano, Giovanni
    Khalifa Univ Sci & Technol, Dept Chem Engn, Masdar Inst, POB 54224, Abu Dhabi, U Arab Emirates..
    N-TiO2/Cu-TiO2 double-layer films: Impact of stacking order on photocatalytic properties2017In: Journal of Catalysis, ISSN 0021-9517, E-ISSN 1090-2694, Vol. 353, p. 116-122Article in journal (Refereed)
    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.

  • 20.
    Gizinski, Damian
    et al.
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Goszewska, Ilona
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Zielinski, Maciej
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Lisovytskiy, Dmytro
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Nikiforov, Kostiantyn
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Masternak, Joanna
    Jan Kochanowski Univ Humanities & Sci, Inst Chem, Swietokrzyska 15G, PL-25406 Kielce, Poland..
    Zienkiewicz-Machnik, Malgorzata
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Srebowata, Anna
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland.
    Chemoselective flow hydrogenation of alpha,beta - Unsaturated aldehyde with nano-nickel2017In: Catalysis communications, ISSN 1566-7367, E-ISSN 1873-3905, Vol. 98, p. 17-21Article in journal (Refereed)
    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.

  • 21.
    Gizinski, Damian
    et al.
    Polish Acad Sci, Inst Phys Chem, Warsaw, Poland..
    Sa, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.;Ecole Polytech Fed Lausanne, Lab Ultrafast Spect, CH-1015 Lausanne, Switzerland..
    Hydrogenation by Copper Catalysts2016In: Hydrogenation With Low-Cost Transition Metals, CRC PRESS-TAYLOR & FRANCIS GROUP , 2016, p. 79-117Chapter in book (Refereed)
    Abstract [en]

    This chapter deals with hydrogenation mediated by copper metal present as supported and unsupported nanoparticles. In the chapter, we highlight synthetic procedures for the preparation of metallic copper nanoparticles and their applications in catalysis. The main target is reactions carried out for fine and pharmaceutical chemicals' production.

  • 22. Goguet, Alexandre
    et al.
    Ace, Matthew
    Saih, Youssef
    Sa, Jacinto
    Kavanagh, Joy
    Hardacre, Christopher
    Remarkable stability of ionic gold supported on sulfated lanthanum oxide.2009In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, no 32, p. 4889-91Article in journal (Refereed)
    Abstract [en]

    Isolated cationic gold deposited on sulfated lanthanum oxide has been shown to exhibit remarkable stability opening a promising way of stabilising ionic gold for catalytic reactions.

  • 23. Goguet, Alexandre
    et al.
    Hardacre, Christopher
    Harvey, Ian
    Narasimharao, Katabathini
    Saih, Youssef
    Sa, Jacinto
    Increased dispersion of supported gold during methanol carbonylation conditions.2009In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 131, no 20, p. 6973-5Article in journal (Refereed)
    Abstract [en]

    The active site in supported gold catalysts for the carbonylation of methanol has been identified as dimers/trimers of gold which are formed from large gold particles >10 nm in diameter. Methyl iodide was found to be critical for this dispersion process and to maintain the catalyst in the active form. This study also shows that it may be possible to redisperse gold catalysts, in general, after reaction.

  • 24. Goguet, Alexandre
    et al.
    Partridge, William P.
    Aiouche, Farid
    Hardacre, Christopher
    Morgan, Kevin
    Stere, Cristina
    Sa, Jacinto
    Comment on "The Critical evaluation of in situ probe techniques for catalytic honeycomb monoliths" by Hettel et al.2014In: Catalysis Today, ISSN 0920-5861, E-ISSN 1873-4308, Vol. 236, p. 206-208Article in journal (Refereed)
  • 25.
    Goszewska, Ilona
    et al.
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Gizinski, Damian
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Zienkiewicz-Machnik, Malgorzata
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Lisovytskiy, Dmytro
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Nikiforov, Kostyantyn
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Masternak, Joanna
    Jan Kochanowski Univ Humanities & Sci, Inst Chem, Swietokrzyska 15G, PL-25406 Kielce, Poland..
    Srebowata, Anna
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland..
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland.
    A novel nano-palladium catalyst for continuous-flow chemoselective hydrogenation reactions2017In: Catalysis communications, ISSN 1566-7367, E-ISSN 1873-3905, Vol. 94, p. 65-68Article in journal (Refereed)
    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.

  • 26. Kartusch, Christiane
    et al.
    Krumeich, Frank
    Safonova, Olga
    Hartfelder, Urs
    Makosch, Martin
    Sa, Jacinto
    van Bokhoven, Jeroen A.
    Redispersion of Gold Multiple-Twinned Particles during Liquid-Phase Hydrogenation2012In: ACS Catalysis, ISSN 2155-5435, E-ISSN 2155-5435, Vol. 2, no 7, p. 1394-1403Article in journal (Refereed)
  • 27. Kartusch, Christiane
    et al.
    Makosch, Martin
    Sa, Jacinto
    Hungerbuehler, Konrad
    van Bokhoven, Jeroen A.
    The Dynamic Structure of Gold Supported on Ceria in the Liquid Phase Hydrogenation of Nitrobenzene2012In: ChemCatChem, ISSN 1867-3880, E-ISSN 1867-3899, Vol. 4, no 2, p. 236-242Article in journal (Refereed)
  • 28.
    Kayser, Yves
    et al.
    Paul Scherrer Inst, CH-5232 Villigen, Switzerland..
    Sa, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Szlachetko, Jakub
    Paul Scherrer Inst, CH-5232 Villigen, Switzerland.;Jan Kochanowski Univ Humanities & Sci, Inst Phys, PL-25406 Kielce, Poland..
    Depth-Resolved X-ray Absorption Spectroscopy by Means of Grazing Emission X-ray Fluorescence2015In: Analytical Chemistry, ISSN 0003-2700, E-ISSN 1520-6882, Vol. 87, no 21, p. 10815-10821Article in journal (Refereed)
    Abstract [en]

    Grazing emission X-ray fluorescence (GEXRF) is well suited for nondestructive elemental-sensitive depth-profiling measurements on samples with nanometer-sized features. By varying the grazing emission angle under which the X-ray fluorescence signal is detected, the probed depth range can be tuned from a few to several hundred nanometers. The dependence of the XRF intensity on the grazing emission angle can be assessed in a sequence of measurements or in a scanning-free approach using a position-sensitive area detector. Hereafter, we will show that the combination of scanning-free GEXRF and fluorescence detected X-ray absorption spectroscopy (XAS) allows for depth-resolved chemical speciation measurements with nanometer-scale accuracy. While the conventional grazing emission geometry is advantageous to minimize self-absorption effects, the use of a scanning-free setup makes the sequential scanning of the grazing emission angles obsolete and paves the way toward time-resolved depth-sensitive XAS measurements. The presented experimental approach was applied to study the surface oxidation of an Fe layer on the top of bulk Si and of a Ge bulk sample. Thanks to the penetrating properties and the insensitivity toward the electric conduction properties of the incident and emitted X-rays, the presented experimental approach is well suited for in situ sample surface studies in the nanometer regime.

  • 29. Kayser, Yves
    et al.
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Szlachetko, Jakub
    Nanoparticle characterization by means of scanning free grazing emission X-ray fluorescence.2015In: Nanoscale, ISSN 2040-3364, E-ISSN 2040-3372, Vol. 7, no 20, p. 9320-9330Article in journal (Refereed)
    Abstract [en]

    Nanoparticles are considered for applications in domains as various as medical and pharmaceutical sciences, opto- and microelectronics, catalysis, photovoltaics, spintronics or nano- and biotechnology. The applications realized with nanocrystals depend strongly on the physical dimensions (shape and size) and elemental constitution. We demonstrate here that grazing emission X-ray fluorescence (GEXRF) is an element sensitive technique that presents the potential for a reliable and accurate determination of the morphology of nanoparticles deposited on a flat substrate (ready-to-use devices). Thanks to the scanning-free approach of the used GEXRF setup, the composition, shape and average size of nanoparticles are determined in short time intervals, minimizing the exposure to radiation. The (scanning-free) GEXRF technique allows for in situ investigations of the nanoparticulate systems thanks to the penetration properties of both the probe X-ray beam and the emitted X-ray fluorescence signal.

  • 30. Kleymenov, Evgeny
    et al.
    Sa, Jacinto
    Abu-Dahrieh, Jehad
    Rooney, David
    Van Bokhoven, Jeroen A.
    Troussard, Ekaterina
    Szlachetko, Jakub
    Safonova, Olga V.
    Nachtegaal, Maarten
    Structure of the methanol synthesis catalyst determined by in situ HERFD XAS and EXAFS2012In: Catalysis Science & Technology, ISSN 2044-4753, E-ISSN 2044-4761, Vol. 2, no 2, p. 373-378Article in journal (Refereed)
  • 31. Kowalewski, Emil
    et al.
    Zienkiewicz-Machnik, Malgorzata
    Lisovytskiy, Dmytro
    Nikiforov, Kostiantyn
    Matus, Krzysztof
    Srebowata, Anna
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Turbostratic carbon supported palladium as an efficient catalyst for reductive purification of water from trichloroethylene2017In: AIMS Materials Science, ISSN 2372-0468, Vol. 4, no 6, p. 1276-1288Article in journal (Refereed)
    Abstract [en]

    This work investigates the catalytic properties of turbostratic carbon supported Pd catalyst in hydrodechlorination of trichloroethylene (TCE HDC) in aqueous phase. 1.57 wt% Pd/C was thoroughly characterized by BET, TPHD, CO chemisorption, PXRD, STEM, XPS and used as the catalyst in removal of trichloroethylene from drinking water in batch and continuous - flow reactors. The studies showed that catalytic performance of Pd/C depended on the hydrophobicity and textural properties of carbon support, which influenced noble metal dispersion and increased catalyst tolerance against deactivation by chlorination. Palladium in the form of uniformly dispersed small (~3.5 nm) nanoparticles was found to be very active and stable in purification of water from TCE both in batch and continuous - flow operation.   

  • 32. Legagneux, Nicolas
    et al.
    Basset, Jean-Marie
    Thomas, Amélie
    Lefebvre, Frédéric
    Goguet, Alexandre
    Sá, Jacinto
    Hardacre, Christopher
    Characterization of silica-supported dodecatungstic heteropolyacids as a function of their dehydroxylation temperature.2009In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, no 12, p. 2235-40Article in journal (Refereed)
    Abstract [en]

    Dodecatungsto-silicic H(4)SiW(12)O(40) and -phosphoric acids H(3)PW(12)O(40) were deposited on silica by a classical impregnation technique. The resulting materials were studied by in situ Raman and infrared spectroscopy, XPS and by solid-state (1)H MAS NMR as a function of their dehydroxylation temperature. The data show that in the case of H(3)PW(12)O(40) three silanol groups are protonated while in the case of H(4)SiW(12)O(40) at least one acidic proton remains. Upon heating this proton reacts leading to a disordered structure and a broadening of the W-O Raman bands.

  • 33. Lipiec, Ewelina
    et al.
    Czapla, Joanna
    Szlachetko, Jakub
    Kayser, Yves
    Kwiatek, Wojciech
    Wood, Bayden
    Deacon, Glen B
    Sá, Jacinto
    Novel in situ methodology to observe the interactions of chemotherapeutical Pt drugs with DNA under physiological conditions.2014In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 43, no 37, p. 13839-44Article in journal (Refereed)
    Abstract [en]

    The binding of the antitumor drug cisplatin with DNA was determined by means of in situ resonant inelastic X-ray scattering (RIXS) spectroscopy. Because of the penetrating properties of hard X-rays, we could determine, under physiological conditions, the identity and number of platinum complexes present. In situ RIXS revealed that under physiological conditions, water molecules replace chloride ligands owing to drug hydration. The subsequent interaction with DNA, led to the bonding of the aqua complexes into the DNA structure with simultaneous loss of the coordinating water and chloride ion. The data analysis reveals that Pt is coordinated by two adjacent guanines giving cis-[Pt(NH3)2{d(GpG)-N7(1),-N7(2)}] upon losing its coordinating water or chloride ligands.

  • 34.
    Lojewska, Tomila
    et al.
    Polish Acad Sci, Inst Phys Chem, Warsaw, Poland..
    Sa, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.;Ecole Polytech Fed Lausanne, Lab Ultrafast Spect, CH-1015 Lausanne, Switzerland..
    Hydrogenation by Iron Catalysts2016In: Hydrogenation With Low-Cost Transition Metals, CRC PRESS-TAYLOR & FRANCIS GROUP , 2016, p. 119-154Chapter in book (Refereed)
    Abstract [en]

    This chapter deals with hydrogenation mediated by iron metal present as supported and unsupported nanoparticles. Inspired by nature, design scientists have developed homogeneous and heterogeneous systems to perform selective hydrogenation. In the chapter, we highlight synthetic procedures for the preparation of metallic iron nanoparticles and their applications to fine and pharmaceutical chemical production.

  • 35. Makosch, Martin
    et al.
    Bumbalek, Vaclav
    Sa, Jacinto
    van Bokhoven, Jeroen A.
    Alternative preparation of size-controlled thiol-capped gold colloids2013In: Gold Bulletin, ISSN 0017-1557, Vol. 46, no 3, p. 161-164Article in journal (Refereed)
  • 36. Makosch, Martin
    et al.
    Kartusch, Christiane
    Sá, Jacinto
    Duarte, Renata Bessa
    van Bokhoven, Jeroen A
    Kvashnina, Kristina
    Glatzel, Pieter
    Fernandes, Daniel L A
    Nachtegaal, Maarten
    Kleymenov, Evgeny
    Szlachetko, Jakub
    Neuhold, Bobby
    Hungerbühler, Konrad
    HERFD XAS/ATR-FTIR batch reactor cell.2012In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 14, no 7, p. 2164-70Article in journal (Refereed)
    Abstract [en]

    An autoclave reactor was modified to perform simultaneously high energy resolution fluorescence detected X-ray absorption spectroscopy (HERFD XAS) and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy measurements without altering the reactor design. This operando cell allows one to follow changes in the electronic and geometric structure of the catalyst with HERFD XAS and relate them to the simultaneously detected activity and reaction species with ATR-FTIR formed during the reaction in the liquid phase. The capability of the cell is demonstrated by two studies. The first shows the reduction of Au/CeO(2) precursors in different solvents. The second shows that mainly Au(0) is present in the hydrogenation of nitrobenzene over Au/CeO(2).

  • 37. Makosch, Martin
    et al.
    Lin, Wan-Ing
    Bumbalek, Viclav
    Sa, Jacinto
    Medlin, J. Will
    Hungerbuehler, Konrad
    van Bokhoven, Jeroen A.
    Organic Thiol Modified Pt/TiO2 Catalysts to Control Chemoselective Hydrogenation of Substituted Nitroarenes2012In: ACS Catalysis, ISSN 2155-5435, E-ISSN 2155-5435, Vol. 2, no 10, p. 2079-2081Article in journal (Refereed)
  • 38. Makosch, Martin
    et al.
    Sa, Jacinto
    Kartusch, Christiane
    Richner, Gilles
    van Bokhoven, Jeroen A.
    Hungerbuehler, Konrad
    Hydrogenation of Nitrobenzene Over Au/MeOx CatalystsuA Matter of the Support2012In: ChemCatChem, ISSN 1867-3880, E-ISSN 1867-3899, Vol. 4, no 1, p. 59-63Article in journal (Refereed)
  • 39. Manyar, Haresh G.
    et al.
    Morgan, Richard
    Morgan, Kevin
    Yang, Bo
    Hu, P.
    Szlachetko, Jakub
    Sa, Jacinto
    Hardacre, Christopher
    High energy resolution fluorescence detection XANES - an in situ method to study the interaction of adsorbed molecules with metal catalysts in the liquid phase2013In: Catalysis Science & Technology, ISSN 2044-4753, E-ISSN 2044-4761, Vol. 3, no 6, p. 1497-1500Article in journal (Refereed)
  • 40.
    Miles, J.
    et al.
    Queens Univ Belfast, Sch Math & Phys, Ctr Plasma Phys..
    Fernandes, D.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Young, A.
    Queens Univ Belfast, Sch Math & Phys, Ctr Plasma Phys..
    Bond, C. M. M.
    Queens Univ Belfast, Sch Math & Phys, Ctr Plasma Phys..
    Crane, S. W.
    Heriot Watt Univ, Inst Photon & Quantum Sci..
    Ghafur, O.
    Heriot Watt Univ, Inst Photon & Quantum Sci..
    Townsend, D.
    Heriot Watt Univ, Inst Photon & Quantum Sci.;Heriot Watt Univ, Inst Chem Sci..
    Sá, J.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland..
    Greenwood, J. B.
    Queens Univ Be, Ctr Plasma Phys.lfast, Sch Math & Phys.
    A new technique for probing chirality via photoelectron circular dichroism2017In: Analytica Chimica Acta, ISSN 0003-2670, E-ISSN 1873-4324, Vol. 984, p. 134-139Article in journal (Refereed)
    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.

  • 41. Nic An tSaoir, M.
    et al.
    Abreu Fernandes, D. L.
    Sa, J.
    McMaster, M.
    Kitagawa, K.
    Hardacre, C.
    Aiouache, F.
    Visualization of water vapour flow in a packed bed adsorber by near-infrared diffused transmittance tomography2011In: Chemical Engineering Science, ISSN 0009-2509, E-ISSN 1873-4405, Vol. 66, no 24, p. 6407-23Article in journal (Refereed)
  • 42. Ozer, Lütfiye Y.
    et al.
    Apostoleris, Harry
    Ravaux, Florent
    Shylin, Sergii I.
    Mamedov, Fikret
    Lindblad, Andreas
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Johansson, Fredrik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Chiesa, Matteo
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Palmisano, Giovanni
    Long-Lasting Non-hydrogenated Dark Titanium Dioxide: Medium Vacuum Anneal for Enhanced Visible Activity of Modified Multiphase Photocatalysts2018In: ChemCatChem, ISSN 1867-3880, E-ISSN 1867-3899, Vol. 10, no 14, p. 2949-2954Article in journal (Refereed)
    Abstract [en]

    Abstract Multiphase TiO2 was stably modified by vacuum treatment for a dramatic improvement in visible-light absorption and photocatalytic reactivity. The samples were made of rutile-brookite, bare or N doped, and were grown on reduced graphene oxide. The stable introduction of Ti3+ species and oxygen vacancies resulting in mitigated electron?hole recombination was identified as the main responsible factor, along with a change in surface charges.

  • 43. Patterson, Bruce D
    et al.
    Sa, Jacinto
    Ichsanow, Anastasija
    Hauri, Christoph P
    Vicario, Carlo
    Ruchert, Clemens
    Czekaj, Izabela
    Gehrig, Regula
    Sigg, Hans C
    van Bokhoven, Jeroen A
    Pedrini, Bill
    Abela, Rafael
    Can energetic terahertz pulses initiate surface catalytic reactions on the picosecond time scale?2011In: Chimia (Basel), ISSN 0009-4293, Vol. 65, no 5, p. 323-5Article in journal (Refereed)
    Abstract [en]

    In preparation for picosecond pump-probe experiments at the SwissFEL X-ray laser facility, the feasibility of collectively initiating surface chemical reactions using energetic pulses of terahertz radiation is being tested.

  • 44.
    Paun, Cristina
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Gizinski, Damian
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Zienkiewicz-Machnik, Malgorzata
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Banas, Dariusz
    Jan Kochanowski Univ Humanities & Sci, Inst Phys, PL-25406 Kielce, Poland..
    Kubala-Kukus, Aldona
    Jan Kochanowski Univ Humanities & Sci, Inst Phys, PL-25406 Kielce, Poland..
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    p-Nitrophenol flow hydrogenation with nano-Cu2O grafted on polymeric resin2017In: Catalysis communications, ISSN 1566-7367, E-ISSN 1873-3905, Vol. 92, p. 61-64Article in journal (Refereed)
    Abstract [en]

    Hydrogenation is the most widely used method to reduce organic compounds. There is a demand for the development of active heterogeneous catalysts based on 3d transition metals for economical and environmental reasons. Herein, we report the first continuous-flow hydrogenation of p-nitrophenol to p-aminophenol with molecular hydrogen and heterogeneous nano-Cu2O as reducing agent and Catalyst, respectively. This reaction converts a known pollutant into a high value product with only water as by-product, which is also the solvent. One-pot synthesis methodology was adapted to prepare the catalyst, which confers sufficient nominal size for direct usage in flow reactions, which are preferred from an engineering, industrial, and environmental perspective. Catalyst reactivity was linked to difference in density-of-states between surface and bulk sites, and nanoscale size of active material.

  • 45. Paun, Cristina
    et al.
    Sa, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, PL-00901 Warsaw, Poland.;Ecole Polytech Fed Lausanne, Lab Ultrafast Spect, CH-1015 Lausanne, Switzerland..
    Hydrogenation by Silver Catalysts2016In: Hydrogenation With Low-Cost Transition Metals, CRC PRESS-TAYLOR & FRANCIS GROUP , 2016, p. 155-195Chapter in book (Refereed)
    Abstract [en]

    This chapter deals with hydrogenation mediated by silver metal present as supported and unsupported nanoparticles. In the chapter, we highlight synthetic procedures for the preparation of metallic silver nanoparticles and their applications in catalysis. The emphasis is on catalytic reactions for production of fine and pharmaceutical chemicals.

  • 46. Paun, Cristina
    et al.
    Safonova, Olga V.
    Szlachetko, Jakub
    Abdala, Paula M.
    Nachtegaal, Maarten
    Sa, Jacinto
    Kleymenov, Evgeny
    Cervellino, Antonio
    Krumeich, Frank
    van Bokhoven, Jeroen A.
    Polyhedral CeO2 Nanoparticles: Size-Dependent Geometrical and Electronic Structure2012In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 116, no 13, p. 7312-7317Article in journal (Refereed)
  • 47.
    Pavliuk, Mariia V.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Cieślak,, A. M.
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Abdellah, Mohamed
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström. South Valley Univ, Qena Fac Sci, Dept Chem, Qena 83523, Egypt.
    Budinská, Alena
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström.
    Pullen, Sonja
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Molecular Biomimetics.
    Sokolowski, K.
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Fernandes, Daniel L. A.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Szlachetko, J.
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Bastos, E. L
    Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, BR-05508000 Sao Paulo, Brazil.
    Ott, Sascha
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Molecular Biomimetics.
    Hammarström, Leif
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Edvinsson, Tomas
    Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Solid State Physics.
    Lewinski, J.
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland; Warsaw Univ Technol, Fac Chem, PL-00661 Warsaw, Poland.
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Hydrogen evolution with nanoengineered ZnO interfaces decorated using a beetroot extract and a hydrogenase mimic2017In: Sustainable Energy & Fuels, ISSN 2398-4902, Vol. 1, p. 69-73Article in journal (Refereed)
    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. 

  • 48.
    Pavliuk, Mariia V.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Fernandes, Arthur B.
    Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, BR-05508000 Sao Paulo, Brazil.
    Abdellah, Mohamed
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström. South Valley Univ, Qena Fac Sci, Dept Chem, Qena 83523, Egypt.
    Fernandes, Daniel L. A.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Machado, Caroline O.
    Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, BR-05508000 Sao Paulo, Brazil.
    Rocha, Igor
    Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Nanotechnology and Functional Materials.
    Hattori, Yocefu
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Paun, Cristina
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström.
    Bastos, Erick L.
    Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, BR-05508000 Sao Paulo, Brazil.
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Nano-hybrid plasmonic photocatalyst for hydrogen production at 20% efficiency2017In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 7, article id 8670Article in journal (Refereed)
    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.

  • 49.
    Pavliuk, Mariia V.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Fernandes, Daniel L. A.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    El-Zohry, Ahmed
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Abdellah, Mohamed
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Nedelcu, Georgian
    ETH, Inorgan Chem Lab, Dept Chem & Appl Biosci, CH-8093 Zurich, Switzerland.;Empa Swiss Fed Labs Mat Sci & Technol, Lab Thin Films & Photovolta, CH-8600 Zurich, Switzerland..
    Kovalenko, Maksym V.
    ETH, Inorgan Chem Lab, Dept Chem & Appl Biosci, CH-8093 Zurich, Switzerland.;Empa Swiss Fed Labs Mat Sci & Technol, Lab Thin Films & Photovolta, CH-8600 Zurich, Switzerland..
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Magnetic Manipulation of Spontaneous Emission from Inorganic CsPbBr3 Perovskites Nanocrystals2016In: ADVANCED OPTICAL MATERIALS, ISSN 2195-1071, Vol. 4, no 12, p. 2004-2008Article in journal (Refereed)
    Abstract [en]

    Metal halide perovskites have shown great potential for both light-absorbing and light-emitting devices. It is demonstrated that the presence of a low-magnetic field decreases dramatically the photoluminescence of CsPbBr3. This is found to be due to a decrease in charge separated state lifetime. The effect is fully reversible, and can be exploited for simple and remote modulation of the output of light-emitting devices.

  • 50.
    Sa, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, PL-00901 Warsaw, Poland.;Ecole Polytech Fed Lausanne, Lab Ultrafast Spect, CH-1015 Lausanne, Switzerland..
    Introduction to Heterogeneous Hydrogenation and Its Application in the Fine Chemicals Industry2016In: Hydrogenation With Low-Cost Transition Metals, CRC PRESS-TAYLOR & FRANCIS GROUP , 2016, p. 1-35Chapter in book (Refereed)
    Abstract [en]

    Catalytic hydrogenations are usually carried out with heterogeneous catalysts using molecular hydrogen as a reducing agent. This is an atom economic transformation and undoubtedly the cleanest hydrogenation method. Alternatively, hydrogen donors such as isopropanol or formic acid can be applied in transfer hydrogenations. This chapter aims to highlight some scientific developments and industrial applications of heterogeneous hydrogenation catalysts.

12 1 - 50 of 92
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