Change search
Refine search result
1234567 1 - 50 of 336
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Rows per page
  • 5
  • 10
  • 20
  • 50
  • 100
  • 250
Sort
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Disputation date (earliest first)
  • Disputation date (latest first)
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Disputation date (earliest first)
  • Disputation date (latest first)
Select
The maximal number of hits you can export is 250. When you want to export more records please use the Create feeds function.
  • 1.
    Agthe, Michael
    et al.
    Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University.
    Wetterskog, Erik
    Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University.
    Mouzon, Johanne
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Salazar-Alvarez, German
    Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University.
    Bergström, Lennart Magnus
    Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University.
    Dynamic growth modes of ordered arrays and mesocrystals during drop-casting of iron oxide nanocubes2014In: CrystEngComm, ISSN 1466-8033, E-ISSN 1466-8033, Vol. 16, no 8, p. 1443-1450Article in journal (Refereed)
    Abstract [en]

    The growth modes of self-assembled mesocrystals and ordered arrays from dispersions of iron oxide nanocubes with a mean edge length of 9.6 nm during controlled solvent removal have been investigated with a combination of visible light video microscopy, atomic force microscopy and scanning electron microscopy. Mesocrystals with translational and orientational order of sizes up to 10 μm are formed spontaneously during the final, diffusion-controlled, drop-casting stage when the liquid film is very thin and the particle concentration is high. Convection-driven deposition of ordered nanocube arrays at the edge of the drying droplet is a manifestation of the so called coffee-ring effect. Dendritic growth or fingering of rapidly growing arrays of ordered nanocubes could also be observed in a transition regime as the growth front moves from the initial three-phase contact line towards the centre of the original droplet.

  • 2.
    Aguilar, Wilson
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Study of the Synthesis of ZSM-5 from Inexpensive Raw Materials2014Licentiate thesis, comprehensive summary (Other academic)
    Abstract [en]

    ZSM-5 is an aluminosilicate with high silica ratio with suitable properties for catalysis, ion exchange, adsorption and membrane applications. ZSM-5 is usually produced industrially from concentrated systems in which there is formation of an amorphous gel phase. Typical syntheses of ZSM-5 require sources of silicon and aluminium, a mineralizer and an organic molecule as so-called templating agent. The silicon and aluminum sources widely used for the synthesis are pure reagent chemicals and in particular quaternary ammonium compounds like tetrapropyl ammonium hydroxides (TPA-OH), are employed as templating agents. Unfortunately, these compounds are rather expensive. Demand for inexpensive sources of aluminosilicates for the synthesis of ZSM-5 has increased during the last two decades. Natural raw materials such as kaolin clay and diatomaceous earth (diatomite) are two potential inexpensive sources of silica and alumina. Moreover, the molecule n-butylamine (NBA) has been reported as a low-cost templating agent to replace the quaternary ammonium compounds. The aim of this work was to show for the first time that leached metakaolinite or diatomite in combination with sodium hydroxide and n-butylamine could be used as inexpensive raw materials for the synthesis of ZSM-5 without using an additional source of silica. After synthesis optimization, both sources of aluminosilicate were found to behave differently during the course of synthesis and led to slightly different products. The chemical composition of the raw materials and the products were determined using inductively coupled plasma-sector field mass spectrometry (ICP-SFMS). Crystallinity was examined by X-ray diffractometry (XRD), the morphology was studied by extreme-high-resolution scanning electron microscopy (XHR-SEM) and the specific surface area was estimated from nitrogen adsorption data by the BET method. The chemical composition of individual crystals was determined by energy dispersive spectrometry (EDS). Dealumination of the raw materials by acid leaching made it possible to reach appropriate SiO2/Al2O3 ratios and reduced the amount of impurities. The final ZSM-5 products had a SiO2/Al2O3 ratio in the range 20 – 40. The use of leached diatomite allowed reaching higher yield of ZSM-5 crystals within comparable synthesis times. However, low amounts of mordenite were formed, which was related to the high calcium content of diatomite. Another considerable advantage of diatomite over kaolin is that diatomite does not require heat treatment at high temperature to convert the kaolin to reactive metakaolin. Further characterization of the system by XHR-SEM and EDS at low voltage was carried out in order to understand the nucleation and early growth of the ZSM-5 zeolite crystals. The observations with unprecedented detail strongly suggest that nucleation and the succeeding growth occurs on the gel surface. The growth rates in the various crystallographic directions already at an early stage are such that the shape of the growing crystals resembles that of the final crystals. However, as the early growth is interface mediated, the growth rate along the gel particles is high and the gel particles will become partially embedded inside the growing crystals at an early stage. The Si and Al nutrients are probably transported along the solid/liquid interface and possibly through the liquid in the form of nanoparticles detaching from the gel. The organic template was initially contained in the liquid. However, it remains unclear at which stage the template becomes incorporated in the solid material. EDS at low voltage was also used to gain compositional information about the sodium/calcium ion exchanged products and extraneous phases when kaolin and Bolivian montmorillonite clay were used for the synthesis of zeolite A by alkali fusion. In order to evaluate the cation exchange capacity (CEC) of the synthesized zeolite, ICP-SFMS and EDS were compared. The EDS method used in this work resulted in (Na,Ca)/Al ratios in equivalent moles very close to 1.0 as expected and was therefore found more reliable than ICP-SFMS to measure cation exchange capacity for zeolite A. To summarize, the present work shows that it was possible to synthesize well-crystallized ZSM-5 zeolite from inexpensive raw materials such as leached metakaolin or leached diatomite, sodium hydroxide and n-butyl amine. Furthermore, the crystallization mechanism evidenced in this system might be more general and also apply for other concentrated systems, e.g. those using TPA as structure-directing. Finally, this work displays that EDS at low voltage can provide valuable local compositional information in the field of zeolite synthesis.

  • 3.
    Aguilar, Wilson
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Garcia, Gustavo
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Mouzon, Johanne
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Comparison between leached metakaolin and leached diatomaceous earth as raw materials for the synthesis of ZSM-52014In: SpringerPlus, E-ISSN 2193-1801, Vol. 3, no 1Article in journal (Refereed)
    Abstract [en]

    Inexpensive raw materials have been used to prepare ZSM-5 zeolites with SiO2/Al2O3 molar ratios in the range 20 - 40. Kaolin or Bolivian diatomaceous earth was used as aluminosilicate raw materials and sodium hydroxide and n-butylamine were used as mineralizing agents and template. Dealumination of the raw materials by acid leaching made it possible to reach appropriate SiO2/Al2O3 ratios and to reduce the amount of iron and other impurities. After mixing the components and aging, hydrothermal treatment was carried out and the products were recovered The results clearly show for the first time that well-crystallized ZSM-5 can be directly prepared from leached metakaolin or leached diatomaceous earth using sodium hydroxide and n-butylamine as mineralizing agents and template under appropriate synthesis conditions. A longer induction time prior to crystallization was observed for reaction mixtures prepared from leached diatomaceous earth, probably due to slower digestion of the fossilized diatom skeletons as compared with that for microporous leached metakaolin. The use of leached diatomaceous earth allowed higher yield of ZSM-5 crystals within comparable synthesis times. However, low amounts of Mordenite formed, which was related to the high calcium content of diatomaceous earth. Another considerable advantage of diatomaceous earth over kaolin is that diatomaceous earth does not require heat treatment at high temperature for metakaolinization.

  • 4.
    Aguilar-Mamani, Wilson
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Crystallization of NBA-ZSM-5 from kaolin2017Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    ZSM-5 is an aluminosilicate zeolite with high Si/Al ratio with suitable properties for catalysis, ion exchange, adsorption and membrane applications. The main goal of this thesis was to study the growth of ZSM-5 zeolite crystals from inexpensive natural sources of silica and alumina, as well as n-butylamine (NBA) as a low-cost structure directing agent.

    The first objective of this work was to develop pathways to synthesize ZSM-5 crystals from kaolin clay or diatomaceous earth, two inexpensive natural sources of silica and alumina (Paper I). In the case of kaolin, a heat treatment was used in order to form amorphous metakaolinite. Subsequently, dealumination of the raw materials by acid leaching made it possible to reach appropriate Si/Al ratios and to reduce the amount of impurities. Finally, leached metakaolinite or diatomaceous earth was reacted with sodium hydroxide and NBA. After synthesis optimization, both sources of aluminosilicates were found to behave differently during the course of synthesis and to lead to slightly different reaction products. The final products exhibited Si/Al ratios in the range 10-20. The use of leached diatomaceous earth allowed to reach higher yield of ZSM-5 crystals within comparable synthesis times. However, low amounts of mordenite were inevitably formed as a by-product, which was related to the high calcium content of diatomaceous earth. Therefore, the rest of the thesis focused on the kaolin system.

    In order to study the growth mechanism of ZSM-5 from leached metakaolinite, a proper methodology to gain local compositional data by energy dispersive spectroscopy (EDS) on aluminosilicates was developed (Paper II). Zeolite A was used as a model system that could be ion-exchanged with various elements. In order to evaluate the reliability of the measurements, inductively coupled plasma-sector field mass spectrometry (ICP-SFMS) and EDS were compared. The EDS method developed in this work resulted in molar ratios very close to theoretical values and was therefore found more reliable than ICP-SFMS. Therefore, the method developed for zeolite A was applied in the rest of the thesis work to study the formation and growth of ZSM-5 crystals.

    The second part of this work focused on the kaolin system in order to understand the nucleation and growth processes of the ZSM-5 crystals. This system was heterogeneous, due to the formation of a gel upon heating of the synthesis mixture. First, the internal structure of the gel was investigated (Paper III). Second, a kinetic study was performed and compared with microstructural observations (Paper IV). Finally, the mechanisms leading to Al-zoning and dendritical growth of the zeolite crystals were investigated (Paper V). The characterization of the intermediate phases during the different stages of the hydrothermal synthesis were analyzed by different analytical techniques, such as inductively coupled plasma-sector field mass spectrometry (ICP-SFMS), dynamic light scattering (DLS), extreme high resolution-scanning electron microscopy (XHR-SEM), energy dispersive spectroscopy (EDS), high resolution-transmission electron microscopy (HR-TEM), X-ray diffraction (XRD) and nitrogen gas adsorption.

    These investigations led to several important conclusions: 1) The walls of the gel were shown for the first time to be inhomogeneous and to possess a biphasic internal structure consisting of a mesoporous skeleton of aluminosilicate nanoparticles embedded in a silicate-rich soluble matrix of soft matter. 2) The kinetic study and microstructural evidences indicated that the early crystals were fully embedded inside the gel phase and that crystal growth was retarded, as the formation of the gel occurred simultaneously with the early growth of the crystals. Hence, nucleation and growth appeared to be solution mediated.  3) Finally, the Al zoning of the crystals was related to the biphasic internal structure of the gel, since the silicate-rich matrix was preferentially consumed first. 4) The dendrites present at the surface of the crystals during most of the growth process were shown to be caused by the presence of a web of nanoparticles, most likely originating from the mesoporous skeleton inside the gel.

    In the future, these findings are expected to lead to optimized synthesis pathways of catalysts with homogeneous properties and to contribute to the development of poor regions in Bolivia.

  • 5.
    Aguilar-Mamani, Wilson
    et al.
    Department of Chemistry, Faculty of Science and Technology, San Simon University, UMSS, Cochabamba.
    Akhtar, Farid
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Mouzon, Johanne
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Solution-mediated growth of NBA-ZSM-5 crystals retarded by gel entrapment2018In: Journal of Crystal Growth, ISSN 0022-0248, E-ISSN 1873-5002, Vol. 487, p. 57-64Article in journal (Refereed)
    Abstract [en]

    The synthesis of flat tablet-shaped ZSM-5 crystals from a gel using metakaolin as aluminosilicate source and n-butyl amine as structure directing agent was investigated. The evolution inside the solid phase was characterized by X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, thermogravimetry and mass spectrometry. A kinetic study indicated that the nucleation of the majority crystals occurred concurrently with the formation of the gel upon heating the starting liquid suspension. Microstructural evidences undeniably showed that the gel precipitated on ZSM-5 crystals and mineral impurities originating from kaolin. As a result, crystal growth was retarded by gel entrapment, as indicated by the configuration and morphology of the embedded crystals. The results presented herein are harmonized with a solution-mediated nucleation and growth mechanism. Our observations differ from the autocatalytic model that suggests that the nuclei rest inside the gel until released when the gel is consumed. Our results show instead that it is crystals that formed in an early stage before entrapment inside the gel that rest inside the gel until exposed at the gel surface. These results illustrate the limitation of the classical method used in the field to determine nucleation profiles when the crystals become trapped inside the gel.

  • 6.
    Aguilar-Mamani, Wilson
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Chemistry, Faculty of Science and Technology, San Simon University, Cochabamba, Bolivia.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Mouzon, Johanne
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Internal structure of a gel leading to NBA-ZSM-5 single crystals2018In: Journal of porous materials, ISSN 1380-2224, E-ISSN 1573-4854, Vol. 25, no 6, p. 1551-1559Article in journal (Refereed)
    Abstract [en]

    Porous gel structures are formed during the synthesis of the zeolite ZSM-5 due to the reaction between a source of aluminosilicate, sodium hydroxide, water and a structure directing agent, such as e.g. tetrapropylammonium (TPA) or n-butylamine (NBA). In the present work, the formation of the gel in a heterogeneous system leading to the crystallization of NBA-ZSM-5 zeolite from leached metakaolin was studied extensively. The solid and liquid phases obtained after separation were analyzed by inductively coupled plasma sector field mass spectrometry, dynamic light scattering, extreme high resolution-scanning electron microscopy, energy dispersive spectroscopy, high resolution-transmission electron microscopy, X-ray diffraction and nitrogen gas adsorption. The main gel phase formed after hydrothermal treatment exhibited a sponge-like structure resembling those forming in (Na, TPA)-ZSM-5-based systems. For the first time, the walls of the main gel were shown to be inhomogenous and to possess a biphasic internal structure consisting of a mesoporous skeleton of aluminosilicate nanoparticles embedded in a silicate-rich soluble matrix of soft matter. The data presented in this paper is of primary importance to understand the mechanism by which the gel is consumed and contributes to the growth process of the zeolite crystals.

  • 7.
    Ahmed, Hamzah
    et al.
    Luleå University of Technology, Department of Health Sciences, Medical Science.
    Shimpi, Manishkumar R.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Velaga, Sitaram P.
    Luleå University of Technology, Department of Health Sciences, Medical Science.
    Relationship between mechanical properties and crystal structure in cocrystals and salt of paracetamol2017In: Drug Development and Industrial Pharmacy, ISSN 0363-9045, E-ISSN 1520-5762, Vol. 43, no 1, p. 89-97Article in journal (Refereed)
    Abstract [en]

    Objectives were to study mechanical properties of various solid forms of paracetamol and relate to their crystal structures. Paracetamol Form I (PRA), its cocrystals with oxalic acid (PRA-OXA) and 4,4-bipyridine (PRA-BPY) and hydrochloride salt (PRA-HCL) were selected. Cocrystals and salt were scaled-up using rational crystallization methods. The resulting materials were subjected to differential scanning solid-state characterization. The powders were sieved and 90-360 µm sieve fraction was considered. These powders were examined by scanning electron microscopy (SEM) and densities were determined. Tablets were made at applied pressures of 35-180 MPa under controlled conditions and the tablet height, diameter and hardness were measured. Tensile strength and porosity of the tablets were estimated using well known models. Crystal structures of these systems were visualized and slips planed were identified. Cocrystal and salt of PRA were physically pure. Sieved powders had comparable morphologies and particle size. The apparent and theoretical densities of powders were similar but no clear trends were observed. The tensile strengths of these compacts were increased with increasing pressure whereas tabletability decreased in the order oxalic acid > PRA-HCL ≈ PRA-OXA > BPY > PRA-BPY. Tablet tensile strength decreases exponentially with increasing porosity with the exception of PRY-BPY and BPY. Slip plane prediction based on attachment energies may not be independently considered. However, it was possible to explain the improved mechanical properties of powders based on the crystal structure. Cocrystallization and salt formation have introduced structural features that are responsible for improved tableting properties of PRA.

  • 8.
    Akhtar, Farid
    et al.
    Department of Materials and Environmental Chemistry, Stockholm University.
    Ojuva, Arto
    Stockholm University, Department of Materials and Environmental Chemistry.
    Mouzon, Johanne
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Bergström, Lennart M.
    Department of Materials and Environmental Chemistry, Stockholm University.
    All-Zeolite Membranes2010Conference paper (Refereed)
  • 9.
    Akhtar, Farid
    et al.
    Department of Materials and Environmental Chemistry, Stockholm University.
    Ojuva, Arto
    Stockholm University, Department of Materials and Environmental Chemistry.
    Wirawan, Kompiang
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Bergström, Lennart
    Department of Materials and Environmental Chemistry, Stockholm University.
    PCP procesing of Zeolite supports for all-zeolite membranes2011Conference paper (Refereed)
  • 10.
    Akhtar, Farid
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Sjöberg, Erik
    Korelskiy, Danil
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Rayson, Mark
    Department of Chemistry, The University of Surrey, Guildford.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Bergström, Lennart
    Department of Materials and Environmental Chemistry, Stockholm University.
    Preparation of graded silicalite-1 substrates for all-zeolite membranes with excellent CO2/H2 separation performance2015In: Journal of Membrane Science, ISSN 0376-7388, E-ISSN 1873-3123, Vol. 493, p. 206-211Article in journal (Refereed)
    Abstract [en]

    raded silicalite-1 substrates with a high gas permeability and low surface roughness have been produced by pulsed current processing of a thin coating of a submicron silicalite-1 powder onto a powder body of coarser silicalite-1 crystals. Thin zeolite films have been hydrothermally grown onto the graded silicalite-1 support and the all-zeolite membranes display an excellent CO2/H2 separation factor of 12 at 0 °C and a CO2 permeance of 21.3×10-7 mol m-2 s-1 Pa-1 for an equimolar CO2/H2 feed at 505 kPa and 101 kPa helium sweep gas. Thermal cracking estimates based on calculated surface energies and measured thermal expansion coefficients suggest that all-zeolite membranes with a minimal thermal expansion mismatch between the graded substrate and the zeolite film should remain crack-free during thermal cycling and the critical calcination step.

  • 11.
    An, Rong
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing.
    Zhou, Guobing
    School of Chemical Biological and Materials Engineering, University of Oklahoma.
    Zhu, Yudan
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
    Zhu, Wei
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
    Huang, Liangliang
    School of Chemical Biological and Materials Engineering, University of Oklahoma.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Friction of Ionic Liquid–Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence2018In: Advanced Materials Interfaces, ISSN 2196-7350, Vol. 5, no 14, article id 1800266Article in journal (Refereed)
    Abstract [en]

    Structural reorientation of alkyl chains in the phosphonium cation of orthoborate ionic liquid mixed with glycol ether occurs with increasing normal load of the AFM tip. The flat reoriented structure, similar to the ‘blooming lotus leaf’, produces a new sliding interface that is responsible for the observed lower friction at higher loads. This work is reported by Rong An, Liangliang Huang, Faiz Ullah Shah and co‐workers in article number 1800263.

  • 12.
    An, Rong
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing.
    Zhou, Guobing
    School of Chemical Biological and Materials Engineering, University of Oklahoma.
    Zhu, Yudan
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
    Zhu, Wei
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
    Huang, Liangliang
    School of Chemical Biological and Materials Engineering, University of Oklahoma.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Friction of Ionic Liquid–Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence2018In: Advanced Materials Interfaces, ISSN 2196-7350, Vol. 5, no 14, article id 1800263Article in journal (Refereed)
    Abstract [en]

    The atomic force microscopy experiments and nonequilibrium molecular dynamics (NEMD) simulations demonstrate a negative friction–load dependence to ionic liquid–glycol ether mixtures, that is, the friction decreases as the normal load increases. NEMD simulations reveal a structural reorientation of the studied ionic liquid (IL): as the normal load increases, the cation alkyl chains of ILs change the orientation to preferentially parallel to the tip scanning path. The flat‐oriented IL structures, similar to the “blooming lotus leaf,” produce a new sliding interface and reduce the friction. A further molecular dynamics simulation is carried out by adopting slit‐pore models to mimic the tip approaching process to confirm the dynamics of ILs. A faster diffusion of ILs in the smaller slit pore is observed. The faster diffusion of ILs in the more confined slit pore facilitates the structural reorientation of ILs. The resulted new sliding surface is responsible for the observed smaller friction at higher loads, also known as the negative friction–load dependence. These findings provide a fundamental explanation to the role of ILs in interfacial lubrications. They help to understand liquid flow properties under confinement, with implications for the development of better nanofluidic devices.

  • 13. Anasontzis, George
    et al.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Challenges in ethanol production with Fusarium oxysporum through consolidated bioprocessing2014In: Bioengineered, ISSN 2165-5979, E-ISSN 2165-5987, Vol. 5, no 6, p. 393-395Article in journal (Other (popular science, discussion, etc.))
    Abstract [en]

    Fusarium oxysporum has been reported as being able to both produce the enzymes necessary to degrade lignocellulosic biomass to sugars and also ferment the monosaccharides to ethanol under anaerobic or microaerobic conditions. However, in order to become an economically feasible alternative to other ethanol-producing microorganisms, a better understanding of its physiology, metabolic pathways, and bottlenecks is required, together with an improvement in its efficiency and robustness. In this report, we describe the challenges for the future and give additional justification for our recent publication.

  • 14.
    Anasontzis, George E.
    et al.
    National and Kapodistrian University of Athens, Chalmers University of Technology, Department of Chemical and Biological Engineering, Microbial Biotechnology Unit, Sector of Botany, Department of Biology, National and Kapodistrian University of Athens, Zografou.
    Kourtoglou, Elisavet
    National Technical University of Athens, BIOtechMASS Unit, Biotechnology Laboratory, School of Chemical Engineering, National Technical University of Athens.
    Villas-Boâs, Silas G
    Centre for Microbial Innovation, School of Biological Sciences, The University of Auckland, Technical University of Denmark.
    Hatzinikolaou, Dimitris G.
    Department of Chemical Engineering, National Technical University of Athens.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Metabolic Engineering of Fusarium oxysporum to Improve Its Ethanol-Producing Capability2016In: Frontiers in Microbiology, ISSN 1664-302X, E-ISSN 1664-302X, Vol. 7, article id 632Article in journal (Refereed)
    Abstract [en]

    Fusarium oxysporum is one of the few filamentous fungi capable of fermenting ethanol directly from plant cell wall biomass. It has the enzymatic toolbox necessary to break down biomass to its monosaccharides and, under anaerobic and microaerobic conditions, ferments them to ethanol. Although these traits could enable its use in consolidated processes and thus bypass some of the bottlenecks encountered in ethanol production from lignocellulosic material when Saccharomyces cerevisiae is used-namely its inability to degrade lignocellulose and to consume pentoses-two major disadvantages of F. oxysporum compared to the yeast-its low growth rate and low ethanol productivity-hinder the further development of this process. We had previously identified phosphoglucomutase and transaldolase, two major enzymes of glucose catabolism and the pentose phosphate pathway, as possible bottlenecks in the metabolism of the fungus and we had reported the effect of their constitutive production on the growth characteristics of the fungus. In this study, we investigated the effect of their constitutive production on ethanol productivity under anaerobic conditions. We report an increase in ethanol yield and a concomitant decrease in acetic acid production. Metabolomics analysis revealed that the genetic modifications applied did not simply accelerate the metabolic rate of the microorganism; they also affected the relative concentrations of the various metabolites suggesting an increased channeling toward the chorismate pathway, an activation of the γ-aminobutyric acid shunt, and an excess in NADPH regeneration

  • 15.
    Anasontzis, George
    et al.
    Chalmers University of Technology, Department of Chemical and Biological Engineering.
    Kourtoglou, Elisavet
    BIOtechMASS Unit, Biotechnology Laboratory, School of Chemical Engineering, National Technical University of Athens.
    Mamma, Diomi
    BIOtechMASS Unit, Biotechnology Laboratory, School of Chemical Engineering, National Technical University of Athens.
    Villas-Boâs, Silas G
    Centre for Microbial Innovation, School of Biological Sciences, The University of Auckland.
    Hatzinikolaou, Dimitris
    Microbial Biotechnology Unit, Sector of Botany, Department of Biology, National and Kapodistrian University of Athens.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Constitutive homologous expression of phosphoglucomutase and transaldolase increases the metabolic flux of Fusarium oxysporum2014In: Microbial Cell Factories, ISSN 1475-2859, E-ISSN 1475-2859, Vol. 13, article id 43Article in journal (Refereed)
    Abstract [en]

    BACKGROUND: Fusarium oxysporum is among the few filamentous fungi that have been reported of being able to directly ferment biomass to ethanol in a consolidated bioprocess. Understanding its metabolic pathways and their limitations can provide some insights on the genetic modifications required to enhance its growth and subsequent fermentation capability. In this study, we investigated the hypothesis reported previously that phosphoglucomutase and transaldolase are metabolic bottlenecks in the glycolysis and pentose phosphate pathway of the F. oxysporum metabolism.RESULTS: Both enzymes were homologously overexpressed in F. oxysporum F3 using the gpdA promoter of Aspergillus nidulans for constitutive expression. Transformants were screened for their phosphoglucomutase and transaldolase genes expression levels with northern blot. The selected transformant exhibited high mRNA levels for both genes, as well as higher specific activities of the corresponding enzymes, compared to the wild type. It also displayed more than 20 and 15% higher specific growth rate upon aerobic growth on glucose and xylose, respectively, as carbon sources and 30% higher xylose to biomass yield. The determination of the relative intracellular amino and non-amino organic acid concentrations at the end of growth revealed higher abundance of most determined metabolites between 1.5- and 3-times in the recombinant strain compared to the wild type. Lower abundance of the determined metabolites of the Krebs cycle and an 68-fold more glutamate were observed at the end of the cultivation, when xylose was used as carbon source.CONCLUSIONS: Homologous overexpression of phosphoglucomutase and transaldolase in F. oxysporum was shown to enhance the growth characteristics of the strain in both xylose and glucose in aerobic conditions. The intracellular metabolites profile indicated how the changes in the metabolome could have resulted in the observed growth characteristics.

  • 16.
    Andersson, Anna
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    CFD optimization of photochemical UV reactors for VOC degradation2017Independent thesis Advanced level (professional degree), 20 credits / 30 HE creditsStudent thesis
    Abstract [en]

    In 2016 the World Health Organization released a report on Ambient Air Pollution, in this it was stated that one out of every nine deaths all around the world in 2012 were due to air-pollution-related conditions. Urban air pollution involves a broad range of compounds from many diverse sources. Volatile Organic Compounds (VOCs) are some of the important compounds. Almost all VOCs are known to have effect on human health, many of them are carcinogenic. VOCs also contribute to the ground level photochemical smog and the reduction of the stratospheric ozone layer. Therefore, it is important to control the emissions of VOCs from industries and restaurants.

    Today most big scale VOC removal is done by thermal or catalytic incineration. While smaller scale air purification is done by using adsorbing materials such as activated carbon. Both these methods have their drawbacks. A promising technology, which is also environmentally friendly, is UV reactors.

    This thesis is a collaboration with the company Centriair, a company developing and selling UV reactors mainly for odor removal. The UV reactors which are in use today show acceptable performance, with a conversion of 50-60%. However, they have yet to be optimized to get the most out of the reactors. The aim was to try to reach an as high conversion of VOCs as possible in a prototype scale compared to a reference reactor, also in prototype scale. The reactors were simulated using the Computational Fluid Dynamic (CFD) software COMSOL Multiphysics® 5.2a. The simulation was based on earlier lab scale experiments with UV reactors.

    The conclusion from doing this thesis is that the most important challenge with a UV reactor up-scaling and optimization is the dark zones and the bypassing effect given by these. It is very important that the irradiation reaches the whole reactor and that all gas is affected by it. It is also important that the gas is given time to stay by the light sources as long as possible. Two reactors in this thesis had very high conversion results and thus showed potential of being very effective UV reactors. These two reactors showed conversion results of 45% respective 61% higher than the reference reactor used by Centriair today.

  • 17.
    Andersson, Christian
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Biobased production of succinic acid by Escherichia coli fermentation2009Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    The prospects of peak oil, climate change and the dependency of fossil carbon have urged research and development of production methods for the manufacture of fuels and chemicals from renewable resources (biomass). The present thesis illustrates different aspects of biobased succinic acid production by a metabolically engineered E. coli strain. The main areas of the thesis are sugar utilisation and feedstock flexibility, and fermentation inhibition, both due to toxic compound derived from the raw material and the fermentation products themselves.The first part of this thesis aimed to investigate the fermentation characteristics of AFP184 in a medium consisting of corn steep liquor, inorganic salts and different sugar sources without supplementation with high-cost nutrients such as yeast extract and peptone. The effects of different sugars, sucrose, glucose, fructose, xylose, equal mixtures of glucose-fructose and glucose-xylose, on succinic acid production kinetics and yields in an industrially relevant medium were investigated. AFP184 was able to utilise all sugars and sugar combinations except sucrose for biomass generation and succinate production. Using glucose resulted in the highest yield, 0.83 (g succinic acid per g sugar consumed anaerobically). Using a high initial sugar concentration resulted in volumetric productivities of almost 3 g L-1 h-1, which is above estimated values for economically feasible production. However, succinic acid production ceased at final concentrations greater than 40 g L-1. To further increase succinic acid concentrations, fermentations using NH4OH, NaOH, KOH, K2CO3, and Na2CO3 as neutralising agents were performed and compared. It was shown that substantial improvements could be made by using alkali bases to neutralise the fermentations. The highest concentrations and productivities were achieved when Na2CO3 was used, 77 g L-1 and 3 g L-1 h-1 respectively. A gradual decrease in succinate productivity was observed during the fermentations, which was shown to be due to succinate accumulation in the broth and not as a result of the addition of neutralising agent or the subsequent increase in osmolarity.To maintain high succinate productivity by keeping a low extracellular succinic acid concentration fermentations were interrupted and cells recovered and resuspended in fresh media. By removing the succinate it was possible to maintain high succinic acid productivity for a prolonged time. Cells subjected to high concentrations of succinate were also able to regain high productivity once transferred into a succinate-free medium.In the last part of the thesis succinic acid production from softwood dilute acid hydrolysates was demonstrated. This study involved establishing the degree of detoxification necessary for growth and fermentation using industrial hydrolysates. Detoxification by treatment with lime and/or activated carbon was investigated and the results show that it was possible to produce succinate from softwood hydrolysates in yields comparable to those for synthetic sugars.The work done in this thesis increases the understanding of succinic acid production with AFP184, illustrate its limitations, and suggests improvements in the current technology with the long term aim of increasing the economical feasibility of biochemical succinic acid production.

  • 18.
    Andersson, Christian
    et al.
    Luleå University of Technology.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Berglund, Kris
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Process for producing succinic acid from sucrosePatent (Other (popular science, discussion, etc.))
    Abstract [en]

    A process for hydrolyzing sucrose to glucose and fructose using succinic acid is described. The hydrolysate can be used to produce purified glucose and/or fructose or can be used as a carbon source for fermentations to produce various chemicals including succinic acid.

  • 19. Anthonis, Marc Henry
    et al.
    Bons, Anton-Jan
    Deckman, H. W.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Lai, Wenyih F.
    Peters, J.A.J.
    Crystalline molecular sieve layers and processes for their manufacturePatent (Other (popular science, discussion, etc.))
    Abstract [en]

    A process is described for the manufacture of crystalline molecular sieve layers with good para-xylene over meta-xylene selectivity's good para-xylene permeances and selectivities. The process requires impregnation of the support prior to hydrothermal synthesis using the seeded method and may be undertaken with pre-impregnation masking. The crystalline molecular sieve layer has a selectivity (.alpha..sub.x) for para-xylene over meta-xylene of 2 or greater and a permeance (Q.sub.x) for para-xylene of 3.27.times.10.sup.-8 mole(px)/m.sup.2.s.Pa(px) or greater measured at a temperature of .gtoreq.250.degree. C. and an aromatic hydrocarbon partial pressure of .gtoreq.10.times.10.sup.3 Pa.

  • 20.
    Antonopoulou, Io
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Development of biocatalytic processes for selective antioxidant production2018Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Feruloyl esterases (FAEs, EC 3.1.1.73) represent a subclass of carboxylic acid esterases that under normal conditions catalyze the hydrolysis of the ester bond between hydroxycinnamic acids (ferulic acid, sinapic acid, caffeic acid, p-coumaric acid) and sugar residues in plant cell walls. Based on their specificity towards monoferulates and diferulates, substitutions on the phenolic ring and on their amino acid sequence identity, they have been classified into four types (A-D) while phylogenetic analysis has resulted in classification into thirteen subfamilies (SF1-13). Under low water content, these enzymes are able to catalyze the esterification of hydroxycinnamic acids or the transesterification of their esters (donor) with alcohols or sugars (acceptor) resulting in compounds with modified lipophilicity, having a great potential for use in the tailor-made modification of natural antioxidants for cosmetic, cosmeceutical and pharmaceutical industries. The work described in this thesis focused on the selection,characterization and application of FAEs for the synthesis of bioactive esters with antioxidant activity in non-conventional media. The basis of the current classification systems was investigated in relation with the enzymes’ synthetic and hydrolytic abilities while the developed processes were evaluated for their efficiency and sustainability.

    Paper I was dedicated to the screening and evaluation of the synthetic abilities of 28 fungal FAEs using acceptors of different lipophilicity at fixed conditions in detergentless microemulsions. It was revealed that FAEs classified in phylogenetic subfamilies related to acetyl xylan esterases (SF5 and 6) showed increased transesterification rates and selectivity. In general, FAEs showed preference on more hydrophilic alcohol acceptors and in descending order to glycerol > 1-butanol > prenol. Homology modeling and small molecule docking simulations were employed as tools for the identification of a potential relationship between the predicted surface and active site properties of selected FAEs and the transesterification selectivity.

    Papers II- IV focused on the characterization of eight promising FAEs and the optimization of reaction conditions for the synthesis of two bioactive esters (prenyl ferulate and L-arabinose ferulate) in detergentless microemulsions. The effect of the medium composition, the donor and acceptor concentration, the enzyme load, the pH, the temperature and the agitation on the transesterification yield and selectivity were investigated. It was observed that the acceptor concentration and enzyme load were crucial parameters for selectivity. Fae125 (Type A, SF5) iiexhibited highest prenyl ferulate yield (81.1%) and selectivity (4.685) converting 98.5% of VFA to products after optimization at 60 mM VFA, 1.5 M prenol, 0.04 mg FAE mL-1, 40oC, 24 h, 53.4:43.4:3.2 v/v/v n-hexane: t-butanol: 100 mM MOPS-NaOH pH 8.0. On the other hand, FaeA1 (Type A, SF5) showed highest L-arabinose ferulate yield (52.2 %) and selectivity (1.120) at 80 mM VFA, 55 mM L-arabinose, 0.02 mg FAE mL-1, 50oC, 8 h, 19.8: 74.7: 5.5 v/v/v n-hexane: t-butanol: 100 mM MOPS-NaOH pH 8.0.

    In paper V, the effect of reaction media on the enzyme stability and transesterification yield and selectivity was studied in different solvents for the synthesis of two bioactive esters: prenyl ferulate and L-arabinose ferulate. The best performing enzyme (Fae125) was used in the optimization of reaction conditions in the best solvent (n-hexane) via response surface methodology. Both bioconversions were best described by a two-factor interaction model while optimal conditions were determined as the ones resulting in highest yield and selectivity.Highest prenyl ferulate yield (87.5%) and selectivity (7.616) were observed at 18.56 mM prenol mM-1VFA, 0.04 mg FAE mL-1, 24.5 oC, 24.5 h, 91.8: 8.2 v/v n-hexane: 100 mM sodium acetate pH 4.7. Highest L-arabinose ferulate yield (56.2%) and selectivity (1.284) were observed at 2.96 mM L-arabinose mM-1VFA, 0.02 mg FAE mL-1, 38.9 oC, 12 h, 90.5: 5.0: 4.5 v/v/v n-hexane: dimethyl sulfoxide: 100 mM sodium acetate pH 4.7. The enzyme could be reused for six consecutive reaction cycles maintaining 66.6% of its initial synthetic activity. The developed bioconversions showed exceptional biocatalyst productivities (> 300 g product g-1FAE) and the waste production was within the range of pharmaceutical processes.

    Paper VI focused on the investigation of the basis of the type A classification of a well-studied FAE from Aspergillus niger(AnFaeA) by comparing its activity towards methyl and arabinose hydroxycinnamic acid esters. For this purpose, L-arabinose ferulateand caffeate were synthesized enzymatically. kcat/Kmratios revealed that AnFaeA hydrolyzed arabinose ferulate 1600 times and arabinose caffeate 6.5 times more efficiently than methyl esters. This study demonstrated that short alkyl chain hydroxycinnamate esters which are used nowadays for FAE classification can lead to activity misclassification, while L-arabinose esters could potentially substitute synthetic esters in classification describing more adequately the enzyme specificitiesin the natural environment.

  • 21.
    Antonopoulou, Io
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Use of feruloyl esterases for chemoenzymatic synthesis of bioactive compounds2017Licentiate thesis, comprehensive summary (Other academic)
    Abstract [en]

    Feruloyl esterases (FAEs, EC 3.1.1.73) represent a subclass of carboxylic acid esterases that under normal conditions catalyze the hydrolysis of the ester bond between hydroxycinnamic acids (ferulic acid, sinapic acid, caffeic acid, p-coumaric acid) and arabinose residues in plant cell walls. Based on their specificity towards monoferulates and diferulates, substitutions on the phenolic ring and on their amino acid sequence identity, they have been classified into four types (A-D). The use of FAEs as accessory enzymes for the degradation of lignocellulosic biomass and their synergism with other hemicellulases has been studied for application in many industries, such as the food, the biofuel and the paper pulp industry. In the recent years, the use of FAEs as biosynthetic tools has been underlined. Under low water content, these enzymes are able to catalyze the esterification of hydroxycinnamic acids or the transesterification of their esters resulting in compounds with altered lipophilicity, revealing a great potential for tailor-made modification of natural antioxidants for use in cosmetic, cosmeceutical and pharmaceutical industries.

    The first part of the thesis is focused on the optimization of reaction conditions for the synthesis of two bioactive esters: prenyl ferulate and L-arabinose ferulate using 5 FAEs (FaeA1, FaeA2, FaeB1, FaeB2 and MtFae1a) from Myceliophthora thermophila in detergentless microemulsions. Reaction conditions were optimized investigating parameters such as the medium composition, the substrate concentration, the enzyme load, the pH, the temperature and the agitation. Regarding the synthesis of prenyl ferulate, FaeB2 offered the highest transesterification yield (71.5±0.2%) after 24 h of incubation at 30oC using 60 mM vinyl ferulate (VFA), 1 M prenol and 0.02 mg FAE/mL in a mixture comprising of 53.4: 43.4: 3.2 v/v/v n-hexane: t-butanol: 100 mM MOPS-NaOH pH 6.0. At these conditions, the competitive hydrolysis was 4-7 fold minimized. Regarding the synthesis of L-arabinose ferulate, FaeA1 offered highest transesterification yield (35.9±2.96%) after 8 h of incubation at 50oC using 80 mM VFA, 55 mM L-arabinose and 0.02 mg FAE/mL in a mixture of 19.8: 74.7: 5.5 v/v/v n-hexane: t-butanol: 100 mM MOPS-NaOH pH 8.0. It was revealed that the type B FAEs from M. thermophila show higher preference to more lipophilic acceptors like prenol, while the type A FaeA1 was more efficient in the synthesis of the more hydrophilic L-arabinose ferulate.

    The second part of the thesis is focused on the investigation of the basis of the type A classification of a well-studied FAE from Aspergillus niger (AnFaeA) by comparing its activity towards methyl and arabinose hydroxycinnamate esters. For this purpose, L-arabinose ferulate and caffeate were synthesized enzymatically. kcat/Km ratios revealed that AnFaeA hydrolyzed arabinose ferulate 1600 times and arabinose caffeate 6.5 times more efficiently than methyl esters. This study demonstrated that short alkyl chain hydroxycinnamate esters which are used nowadays for FAE classification can lead to activity misclassification, while L-arabinose esters could potentially substitute synthetic esters in classification.

  • 22.
    Antonopoulou, Io
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Dilokpimol, Adiphol
    Fungal Physiology, Westerdijk Fungal Biodiversity Institute & Fungal Molecular Physiology, Utrecht University.
    Iancu, Laura
    Dupont Industrial Biosciences.
    Mäkelä, Miia R.
    Department of Microbiology, University of Helsink.
    Varriale, Simona
    Department of Chemical Sciences, University of Naples “Federico II”.
    Cerullo, Gabriella
    Department of Chemical Sciences, University of Naples “Federico II”.
    Hüttner, Silvia
    Department of Biology and Biological Engineering, Division of Industrial Biotechnology, Chalmers University of Technology.
    Uthoff, Stefan
    Institut für Molekulare Mikrobiologie und Biotechnologie, Westfälische Wilhelms-Universität Münster.
    Jütten, Peter
    Taros Chemicals GmbH & Co KG.
    Piechot, Alexander
    Taros Chemicals GmbH & Co KG.
    Steinbüchel, Alexander
    nstitut für Molekulare Mikrobiologie und Biotechnologie, Westfälische Wilhelms-Universität Münster.
    Olsson, Lisbeth
    Department of Biology and Biological Engineering, Division of Industrial Biotechnology, Chalmers University of Technology.
    Faraco, Vincenza
    Department of Chemical Sciences, University of Naples “Federico II”.
    Hildén, Kristiina
    Department of Microbiology, University of Helsinki.
    de Vries, Ronald
    Fungal Physiology, Westerdijk Fungal Biodiversity Institute & Fungal Molecular Physiology, Utrecht University.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    The Synthetic Potential of Fungal Feruloyl Esterases: A Correlation with Current Classification Systems and Predicted Structural Properties2018In: Catalysts, ISSN 2073-4344, Vol. 8, no 6, article id 242Article in journal (Refereed)
    Abstract [en]

    Twenty-eight fungal feruloyl esterases (FAEs) were evaluated for their synthetic abilities in a ternary system of n-hexane: t-butanol: 100 mM MOPS-NaOH pH 6.0 forming detergentless microemulsions. Five main derivatives were synthesized, namely prenyl ferulate, prenyl caffeate, butyl ferulate, glyceryl ferulate, and l-arabinose ferulate, offering, in general, higher yields when more hydrophilic alcohol substitutions were used. Acetyl xylan esterase-related FAEs belonging to phylogenetic subfamilies (SF) 5 and 6 showed increased synthetic yields among tested enzymes. In particular, it was shown that FAEs belonging to SF6 generally transesterified aliphatic alcohols more efficiently while SF5 members preferred bulkier l-arabinose. Predicted surface properties and structural characteristics were correlated with the synthetic potential of selected tannase-related, acetyl-xylan-related, and lipase-related FAEs (SF1-2, -6, -7 members) based on homology modeling and small molecular docking simulations.

  • 23.
    Antonopoulou, Io
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Hunt, Cameron
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Cerullo, Gabriella
    Department of Chemical Sciences, University of Naples "Federico II".
    Varriale, Simona
    Department of Chemical Sciences, University of Naples “Federico II”.
    Gerogianni, Alexandra
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Faraco, Vincenza
    Department of Chemical Sciences, University of Naples "Federico II".
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Tailoring the specificity of the type C feruloyl esterase FoFaeC from Fusarium oxysporum towards methyl sinapate by rational redesign based on small molecule docking simulations2018In: PLoS ONE, ISSN 1932-6203, E-ISSN 1932-6203, Vol. 13, no 5, article id e0198127Article in journal (Refereed)
    Abstract [en]

    The type C feruloyl esterase FoFaeC from Fusarium oxysporum is a newly discovered enzyme with high potential for use in the hydrolysis of lignocellulosic biomass but it shows low activity towards sinapates. In this work, small molecule docking simulations were employed in order to identify important residues for the binding of the four model methyl esters of hydroxycinnamic acids, methyl ferulate/caffeate/sinapate/p-coumarate, to the predicted structure of FoFaeC. Subsequently rational redesign was applied to the enzyme’ active site in order to improve its specificity towards methyl sinapate. A double mutation (F230H/T202V) was considered to provide hydrophobic environment for stabilization of the methoxy substitution on sinapate and a larger binding pocket. Five mutant clones and the wild type were produced in Pichia pastoris and biochemically characterized. All clones showed improved activity, substrate affinity, catalytic efficiency and turnover rate compared to the wild type against methyl sinapate, with clone P13 showing a 5-fold improvement in catalytic efficiency. Although the affinity of all mutant clones was improved against the four model substrates, the catalytic efficiency and turnover rate decreased for the substrates containing a hydroxyl substitution.

  • 24.
    Antonopoulou, Io
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Iancu, Laura
    Dupont Industrial Biosciences, Wageningen, the Netherlands.
    Jütten, Peter
    Taros Chemicals GmbH & Co KG, Dortmund, Germany.
    Piechot, Alexander
    Taros Chemicals GmbH & Co KG, Dortmund, Germany.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Optimized Enzymatic Synthesis of Feruloyl Derivatives Catalyzed by Three Novel Feruloyl Esterases from Talaromyces wortmannii in Detergentless Microemulsions2018In: Computational and Structural Biotechnology Journal, ISSN 2001-0370, p. 361-369Article in journal (Refereed)
    Abstract [en]

    Three novel feruloyl esterases (Fae125, Fae7262 and Fae68) from Talaromyces wortmanniioverexpressed in the C1 platform were evaluated for the transesterification of vinyl ferulatewith two acceptors of different size and lipophilicity (prenol and L-arabinose) in detergentless microemulsions. The effect of reaction conditions such as the microemulsion composition, the substrate concentration, the enzyme load, the pH, the temperature and the agitation were investigated. The type A Fae125 belonging to the subfamily 5 (SF5) of phylogenetic classification showed highest yields for the synthesis of both products after optimization of reaction conditions: 81.8% for prenyl ferulate and 33.0% for L-arabinose ferulate. After optimization, an 8-fold increase in the yield and a 12-fold increase in selectivity were achieved for the synthesis of prenyl ferulate.

  • 25.
    Antonopoulou, Io
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Iancu, Laura
    Dupont Industrial Biosciences.
    Jütten, Peter
    Taros Chemicals GmbH & Co KG.
    Piechot, Alexander
    Taros Chemicals GmbH & Co KG.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Screening of novel feruloyl esterases from Talaromyces wortmannii for the development of efficient and sustainable syntheses of feruloyl derivatives2019In: Enzyme and microbial technology, ISSN 0141-0229, E-ISSN 1879-0909, Vol. 120, p. 124-135Article in journal (Refereed)
    Abstract [en]

    The feruloyl esterases Fae125, Fae7262 and Fae68 from Talaromyces wortmannii were screened in 10 different solvent: buffer systems in terms of residual hydrolytic activity and of the ability for the transesterification of vinyl ferulate with prenol or L-arabinose. Among the tested enzymes, the acetyl xylan-related Fae125 belonging to the phylogenetic subfamily 5 showed highest yield and selectivity for both products in alkane: buffer systems (n-hexane or n-octane). Response surface methodology, based on a 5-level and 6-factor central composite design, revealed that the substrate molar ratio and the water content were the most significant variables for the bioconversion yield and selectivity. The effect of agitation, the possibility of DMSO addition and the increase of donor concentration were investigated. After optimization, competitive transesterification yields were obtained for prenyl ferulate (87.5-92.6%) and L-arabinose ferulate (56.2-61.7%) at reduced reaction times (≤ 24 h) resulting in good productivities (> 1 g/L/h, >300 kg product/kg FAE). The enzyme could be recycled for six consecutive cycles retaining 66.6% of the synthetic activity and 100% of the selectivity.

  • 26.
    Antonopoulou, Io
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Leonov, Laura
    DuPont Industrial Biosciences.
    Jûtten, Peter
    Taros Chemicals GmbH & Co.
    Cerullo, Gabriella
    Department of Chemical Sciences, University of Naples "Federico II".
    Faraco, Vincenza
    Department of Chemical Sciences, University of Naples "Federico II".
    Papadopoulou, Adamantia
    Institute of Biosciences and Applications NCSR "Demokritos," Laboratory of Cell Proliferation and Aging.
    Kletsas, Dimitris
    Institute of Biosciences and Applications NCSR "Demokritos," Laboratory of Cell Proliferation and Aging.
    Ralli, Marianna
    Korres Natural Products.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Correction to: Optimized synthesis of novel prenyl ferulate performed by feruloyl esterases from Myceliophthora thermophila in microemulsions2018In: Applied Microbiology and Biotechnology, ISSN 0175-7598, E-ISSN 1432-0614, Vol. 102, no 1, p. 511-511Article in journal (Refereed)
  • 27.
    Antonopoulou, Io
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Leonov, Laura
    DuPont Industrial Biosciences.
    Jûtten, Peter
    Taros Chemicals GmbH & Co.
    Cerullo, Gabriella
    Department of Chemical Sciences, University of Naples "Federico II".
    Faraco, Vincenza
    Department of Chemical Sciences, University of Naples "Federico II".
    Papadopoulou, Adamantia
    Institute of Biosciences and Applications NCSR "Demokritos," Laboratory of Cell Proliferation and Aging.
    Kletsas, Dimitris
    Institute of Biosciences and Applications NCSR "Demokritos," Laboratory of Cell Proliferation and Aging.
    Ralli, Marianna
    Korres Natural Products.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Optimized synthesis of novel prenyl ferulate performed by feruloyl esterases from Myceliophthora thermophila in microemulsions2017In: Applied Microbiology and Biotechnology, ISSN 0175-7598, E-ISSN 1432-0614, Vol. 101, no 8, p. 3213-3226Article in journal (Refereed)
    Abstract [en]

    Five feruloyl esterases (FAEs; EC 3.1.1.73), FaeA1, FaeA2, FaeB1, and FaeB2 from Myceliophthora thermophila C1 and MtFae1a from M. thermophila ATCC 42464, were tested for their ability to catalyze the transesterification of vinyl ferulate (VFA) with prenol in detergentless microemulsions. Reaction conditions were optimized investigating parameters such as the medium composition, the substrate concentration, the enzyme load, the pH, the temperature, and agitation. FaeB2 offered the highest transesterification yield (71.5 ± 0.2%) after 24 h of incubation at 30 °C using 60 mM VFA, 1 M prenol, and 0.02 mg FAE/mL in a mixture comprising of 53.4:43.4:3.2 v/v/v n-hexane:t-butanol:100 mM MOPS-NaOH, pH 6.0. At these conditions, the competitive side hydrolysis of VFA was 4.7-fold minimized. The ability of prenyl ferulate (PFA) and its corresponding ferulic acid (FA) to scavenge 1,1-diphenyl-2-picrylhydrazyl (DPPH) radicals was significant and similar (IC50 423.39 μM for PFA, 329.9 μM for FA). PFA was not cytotoxic at 0.8–100 μM (IC50 220.23 μM) and reduced intracellular reactive oxygen species (ROS) in human skin fibroblasts at concentrations ranging between 4 and 20 μM as determined with the dichloro-dihydro-fluorescein diacetate (DCFH-DA) assay.

  • 28.
    Antonopoulou, Io
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Papadopoulou, Adamantia
    Laboratory of Cell Proliferation & Ageing, Institute of Biosciences & Applications NCSR “Demokritos”, T. Patriarchou Grigoriou & Neapoleos.
    Iancu, Laura
    DuPont Industrial Biosciences.
    Cerullo, Gabriella
    Department of Chemical Sciences, University of Naples "Federico II".
    Ralli, Marianna
    Korres Natural Products.
    Jûtten, Peter
    Taros Chemicals GmbH & Co.
    Piechot, Alexander
    Taros Chemicals GmbH & Co.
    Faraco, Vincenza
    Department of Chemical Sciences, University of Naples "Federico II".
    Kletsas, Dimitris
    Institute of Biosciences and Applications NCSR "Demokritos," Laboratory of Cell Proliferation and Aging.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Optimization of enzymatic synthesis of l-arabinose ferulate catalyzed by feruloyl esterases from Myceliophthora thermophila in detergentless microemulsions and assessment of its antioxidant and cytotoxicity activities2018In: Process Biochemistry, ISSN 1359-5113, E-ISSN 1873-3298, Vol. 65, p. 100-108Article in journal (Refereed)
    Abstract [en]

    The feruloyl esterases FaeA1, FaeA2, FaeB1, FaeB2 from Myceliophthora thermophila C1 and MtFae1a from M. thermophila ATCC 42464 were used as biocatalysts for the transesterification of vinyl ferulate (VFA) with l-arabinose in detergentless microemulsions. The effect of parameters such as the microemulsion composition, the substrate concentration, the enzyme load, the pH, the temperature and the agitation was investigated. FaeA1 offered the highest transesterification yield (52.2 ± 4.3%) after 8 h of incubation at 50 °C using 80 mM VFA, 55 mM l-arabinose and 0.02 mg FAE mL−1 in a mixture comprising of 19.8: 74.7: 5.5 v/v/v n-hexane: t-butanol: 100 mM MOPS-NaOH pH 8.0. The ability of l-arabinose ferulate (AFA) to scavenge 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals was significant (IC50 386.5 μM). AFA was not cytotoxic even at high concentrations (1 mM) however was found to be pro-oxidant at concentrations higher than 20 μM when the antioxidant activity was determined with the dichloro-dihydro-fluorescein diacetate (DCFH-DA) assay in human skin fibroblasts.

  • 29.
    Antonopoulou, Io
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Varriale, Simona
    Department of Chemical Sciences, University of Naples "Federico II".
    Topakas, Evangelos
    National Technical University of Athens, School of Chemical Engineering, National Technical University of Athens, Biotechnology Laboratory, School of Chemical Engineering, National Technical University of Athens.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Christakopoulos, Paul
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Faraco, Voncenza
    Department of Chemical Sciences, University of Naples "Federico II".
    Enzymatic synthesis of bioactive compounds with high potential for cosmeceutical application2016In: Applied Microbiology and Biotechnology, ISSN 0175-7598, E-ISSN 1432-0614, Vol. 100, no 15, p. 6519-6543Article in journal (Refereed)
    Abstract [en]

    Cosmeceuticals are cosmetic products containing biologically active ingredients purporting to offer a pharmaceutical therapeutic benefit. The active ingredients can be extracted and purified from natural sources (botanicals, herbal extracts, or animals) but can also be obtained biotechnologically by fermentation and cell cultures or by enzymatic synthesis and modification of natural compounds. A cosmeceutical ingredient should possess an attractive property such as anti-oxidant, anti-inflammatory, skin whitening, anti-aging, anti-wrinkling, or photoprotective activity, among others. During the past years, there has been an increased interest on the enzymatic synthesis of bioactive esters and glycosides based on (trans)esterification, (trans)glycosylation, or oxidation reactions. Natural bioactive compounds with exceptional theurapeutic properties and low toxicity may offer a new insight into the design and development of potent and beneficial cosmetics. This review gives an overview of the enzymatic modifications which are performed currently for the synthesis of products with attractive properties for the cosmeceutical industry

  • 30.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Polymorphism of Alzheimer’s Aβ Amyloid Fibrils and Oligomers2018In: Modern Magnetic Resonance / [ed] Graham A. Webb, Cham: Springer, 2018, p. 333-347Chapter in book (Refereed)
    Abstract [en]

    An overview of the strategy and experimental solid-state NMR, TEM, STEM, and AFM methods useful for obtaining atomic-level-resolution structural models of Alzheimer’s amyloid-β peptide fibrils and oligomers is presented. Polymorphism of amyloid fibrils and oligomers and the relevance to neurotoxicity is discussed.

  • 31.
    Arkhipov, Victor P.
    et al.
    Kazan National Research Technological University.
    Bogdanova, Svetlana A.
    Kazan National Research Technological University.
    Idiyatullin, Zhamil Sh.
    Kazan National Research Technological University.
    Lunev, Ivan V.
    Institute of Physics, Kazan (Volga Region) Federal University.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Dynamic and structural properties of oxyethylated isononylphenols2016In: Mendeleev communications (Print), ISSN 0959-9436, E-ISSN 1364-551X, Vol. 26, no 4, p. 355-357Article in journal (Refereed)
    Abstract [en]

    Diffusion coefficients, dielectric relaxation times and refraction coefficients were measured, and activation energies of translational and rotational mobilities were determined for a series of oxyethylated phenols (neonols AF9-n) p-C9H19C6H4-O(CH2CH2O)nH, n = 4, 6, 8, 9, 10, 12, at different temperatures. The results demonstrated the existence of contraction and transition phenomena that changed the structure of neonol molecules at n ∼ 9 from a zigzag to a meander form.

  • 32.
    Arkhipov, Victor P.
    et al.
    Department of Physics, Kazan National Research Technological University, Kazan, Russia.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Institute of Physics, Kazan Federal University, Kazan, Russia.
    The cloud point of aqueous solutions of ethoxylated monoalkylphenols in the individual state and in the presence of electrolytes2018In: Journal of Dispersion Science and Technology, ISSN 0193-2691, E-ISSN 1532-2351, Vol. 39, no 10, p. 1442-1446Article in journal (Refereed)
    Abstract [en]

    The cloud points tcp of aqueous solutions of ethoxylated monoalkylphenols, AF9-n (n = 8,9,10,12), were measured in the concentration (C) range of 0.25-40 wt.%. tcp increased as C decreased at C < 1 wt.%. At 1 < С < 10 wt.%, tcp changed insignificantly; Δtcp/tcp did not exceed 5%. Solutions transformed into the gel state at С > 10-20 wt.% and tcp sharply increased. The dependence of tcp on the length of the oxyethylene chains of ethoxylated nonylphenols at C = 1 wt.% can be described by the equation tcp = b·ln(n-n0), where n0 = 6. The cloud points of aqueous solutions (C = 1 wt.%) of the ethoxylated nonylphenols were measured at different concentrations of NaI, NaCl, NaF, Na2CO3, and Na2SO4 salts. For all of these solutions, tcp decreased in the presence of NaCl, NaF, Na2CO3, Na2SO4 and increased in the presence of NaI. To describe the dependence of tcp on the salt concentration, the equation was suggested, where and tcp are the cloud points of a neat aqueous solution of ethoxylated nonylphenols and of the solution in the presence of electrolytes, respectively.

  • 33.
    Arkhipov, Victor P.
    et al.
    Kazan National Research Technological University.
    Idiyatullin, Zamil Sh.
    Kazan National Research Technological University.
    Gnezdilov, Oleg I.
    Institute of Physics, Kazan (Volga Region) Federal University.
    Petrova, Ekaterina V.
    Kazan National Research Technological University.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Molecular self-diffusion and micellar structure in the aqueous solutions of AF9-10 ethoxylated isononylphenol near a cloud point2014In: Mendeleev communications (Print), ISSN 0959-9436, E-ISSN 1364-551X, Vol. 24, no 5, p. 266-268Article in journal (Refereed)
    Abstract [en]

    Sizes of micelles and compositions of aggregates in the aqueous solutions of the nonionic surfactant oxyethylated monoalkyl phenol (neonol AF9-10) were determined by NMR spectroscopy, NMR diffusometry and dynamic light scattering in a wide range of tem- peratures near the cloud point. The cloud point extraction of phenol from aqueous solutions by the surfactant AF9-10 was performed.

  • 34.
    Arkhipov, Victor P.
    et al.
    Kazan National Research Technological University.
    Idiyatullin, Zhamil Sh
    Kazan National Research Technological University.
    Potapova, Elisaveta
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Micelles and aggregates of oxyethylated isononylphenols and their extraction properties near cloud point2014In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 118, no 20, p. 5480-5487Article in journal (Refereed)
    Abstract [en]

    We used nuclear magnetic resonance (NMR) spectroscopy and dynamic light scattering (DLS) techniques to study the structural and dynamic properties of micellar solutions of nonionic surfactants of a homologous series of oxyethylated isononylphenols - C9H19C6H 4O(C2H4O)nH, where n = 6, 8, 9, 10, or 12 - in a wide range of temperatures, including cloud points. The radii of the micelles and aggregates, as well as their compositions at different concentrations of surfactant, were determined. Using aqueous phenol solutions as a model, we studied the process of cloud point extraction with oxyethylated isononylphenols

  • 35.
    Bauer, Fredric
    et al.
    Lund University.
    Berglund, Kris
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Hulteberg, Christian
    Lund University.
    Lundgren, Joakim
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Mesfun, Sennai
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Nilsson, Robert
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Wännström, Sune
    SP Technical Research Institute of Sweden.
    Comparative system analysis of carbon preserving fermentations for biofuels production2013Report (Refereed)
  • 36.
    Bayat, Mohammad
    et al.
    Faculty of Chemical Engineering, Research and Technology Centre for Membrane Processes, Iran University of Science and Technology (IUST), Tehran, Iran.
    Nabavi, Mohammad Sadegh
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Mohammadi, Toraj
    Faculty of Chemical Engineering, Research and Technology Centre for Membrane Processes, Iran University of Science and Technology (IUST), Tehran, Iran.
    An experimental study for finding the best condition for PHI zeolite synthesis using Taguchi method for gas separation2018In: Chemical papers, ISSN 2585-7290, Vol. 72, no 5, p. 1139-1149Article in journal (Refereed)
    Abstract [en]

    Phillipsite zeolite particles and membranes were successfully synthesized at different operational and environmental conditions. Using an L9 orthogonal array of the Taguchi method, effects of experimental condition—synthesis temperature (130–150 °C), synthesis time (2–3 days), number of synthesized layers (1–3), and seeding suspension percentage—for membrane preparation with respect to CO2/CH4 ideal selectivity were investigated. The results showed that the ideal selectivity was improved up to 4.20 from 1.15 by increasing the number of synthesized layers, synthesis temperature, and seed solution concentration and by decreasing synthesis time. Moreover, the best synthesis conditions were defined based on the Taguchi method results and the membrane was synthesized with the highest ideal selectivity which was around 4.40. In addition, it was shown that T zeolite is formed beside PHI zeolite at low temperature even with long synthesis time.

  • 37.
    Berglund, Kris
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Andersson, Christian
    Luleå University of Technology.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Process for the production of succinic acidPatent (Other (popular science, discussion, etc.))
    Abstract [en]

    A process for the production of succinic acid can comprise supplying a media with E. coli AFP 184 and a high sugar concentration under aerobic conditions, then converting the media to aerobic conditions. Such a process can be useful when performed in conjunction with the production of ethanol in a biorefmery .

  • 38.
    Berglund, Kris
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Rova, Ulrika
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Fermentative Upgrading of Xylose2009In: NWBC-2009: The 2nd Nordic wood biorefinery conference : Finlandia Hall, Helsinki, Finland, September 2-4, 2009 : Proceedings-Posters / [ed] Annemari Kuokka-Ihalainen., Helsinki: KCL Re-inventing paper , 2009Conference paper (Other academic)
    Abstract [en]

    Chemical pulp mills such as Kraft, soda, or sulfite mills are current examples of biorefineries that can convert lignocellulosic biomass into energy, pulp or cellulose derivatives, and tall oil.  While existing viscose pulps use a hemicellulose extraction to generate soluble sugars for ethanol production, in general there still exists a large potential for other more profitable applications of the biomass (Fig. 1), i.e. the mill needs to present a widespread product portfolio.  The biofuels under development from fermentation that will be discussed are the diesel fuel oxygenates dibutyl succinate and diethyl succinate to be used for reduced particulate emissions and fossil fuel replacement for diesel engines and butanol for Otto engines.  It's important to stress that succinic acid, butanol and ethanol, needed for the production of the diesel additives and gasoline replacement will be produced from renewable resources and hence replacing products currently produced from non-renewable fossil sources.  Since wood will be used, there will be no issue of competing with raw material used for food production.  Besides biofuel production, succinic acid and butanol, can be used directly or further refined into numerous different products classified as green chemicals.

  • 39.
    Bhalla, Aditya
    et al.
    DOE Great Lakes Bioenergy Research Center, Michigan State University; Department of Biochemistry & Molecular Biology, Michigan State University.
    Bansal, Namita
    DOE Great Lakes Bioenergy Research Center, Michigan State University; Department of Biochemistry & Molecular Biology, Michigan State University.
    Pattathil, Sivakumar
    Complex Carbohydrate Research Center, University of Georgia; BioEnergy Science Center, Oak Ridge National Laboratory, USA .
    Li, Muyang
    DOE Great Lakes Bioenergy Research Center, Michigan State University; Department of Plant Biology, Michigan State University.
    Shen, Wei
    DOE Great Lakes Bioenergy Research Center, Michigan State University; Department of Plant Biology, Michigan State University.
    Particka, Chrislyn A.
    DOE Great Lakes Bioenergy Research Center, Michigan State University.
    Karlen, Steven D.
    DOE Great Lakes Bioenergy Research Center, University; Department of Biochemistry, University of Wisconsin-Madison of Wisconsin-Madison.
    Phongpreecha, Thanaphong
    DOE Great Lakes Bioenergy Research Center, Michigan State University; Department of Chemical Engineering & Materials Science, Michigan State University.
    Semaan, Rachel R.
    Department of Biochemistry & Molecular Biology, Michigan State University.
    Gonzales-Vigil, Eliana
    Department of Biochemistry, University of Wisconsin-Madison.
    Ralph, John
    DOE Great Lakes Bioenergy Research Center, University of Wisconsin-Madison; Department of Biochemistry, University of Wisconsin0Madison.
    Mansfield, Shawn D.
    Department of Wood Science, University of British Columbia.
    Ding, Shi-You
    DOE Great Lakes Bioenergy Research Center, Michigan State University; Department of Plant Biology, Michigan State University.
    Hodge, David B.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. DOE Great Lakes Bioenergy Research Center, Michigan State University; Department of Chemical Engineering & Materials Science, Michigan State University; Department of Biosystems & Agricultural Engineering, Michigan State University.
    Hegg, Eric L.
    DOE Great Lakes Bioenergy Research Center, Michigan State University; Department of Biochemistry & Molecular Biology, Michigan State University.
    Engineered Lignin in Poplar Biomass Facilitates Cu-Catalyzed Alkaline-Oxidative2018In: ACS Sustainable Chemistry & Engineering, ISSN 2168-0485, Vol. 6, no 3, p. 2932-2941Article in journal (Refereed)
    Abstract [en]

    Both untransformed poplar and genetically modified “zip-lignin” poplar, in which additional ester bonds were introduced into the lignin backbone, were subjected to mild alkaline and copper-catalyzed alkaline hydrogen peroxide (Cu-AHP) pretreatment. Our hypothesis was that the lignin in zip-lignin poplar would be removed more easily than lignin in untransformed poplar during this alkaline pretreatment, resulting in higher sugar yields following enzymatic hydrolysis. We observed improved glucose and xylose hydrolysis yields for zip-lignin poplar compared to untransformed poplar following both alkaline-only pretreatment (56% glucose yield for untransformed poplar compared to 67% for zip-lignin poplar) and Cu-AHP pretreatment (77% glucose yield for untransformed poplar compared to 85% for zip-lignin poplar). Compositional analysis, glycome profiling, and microscopy all supported the notion that the ester linkages increase delignification and improve sugar yields. Essentially no differences were noted in the molecular weight distributions of solubilized lignins between the zip-lignin poplar and the control line. Significantly, when zip-lignin poplar was utilized as the feedstock, hydrogen peroxide, catalyst, and enzyme loadings could all be substantially reduced while maintaining high sugar yields.

  • 40.
    Bhalla, Aditya
    et al.
    DOE Great Lakes Bioenergy Research Center, Michigan State University East Lansing.
    Fasahati, Peyman
    DOE Great Lakes Bioenergy Research Center, Michigan State University, East Lansing.
    Particka, Chrislyn A.
    DOE Great Lakes Bioenergy Research Center, Michigan State University, East Lansing.
    Assad, Aline E.
    DOE Great Lakes Bioenergy Research Center, Michigan State University, East Lansing.
    Stoklosa, Ryan J.
    DOE Great Lakes Bioenergy Research Center, Michigan State University, East Lansing.
    Bansal, Namita
    DOE Great Lakes Bioenergy Research Center, Michigan State University, East Lansing.
    Semaan, Rachel R.
    Department of Biochemistry & Molecular Biology, Michigan State University, East Lansing.
    Saffron, Christopher M.
    DOE Great Lakes Bioenergy Research Center, Michigan State University, East Lansing.
    Hodge, David
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. DOE Great Lakes Bioenergy Research Center, Michigan State University, East Lansing.
    Hegg, Eric L.
    DOE Great Lakes Bioenergy Research Center, Michigan State University, East Lansing.
    Integrated experimental and technoeconomic evaluation of two-stage Cu-catalyzed alkaline–oxidative pretreatment of hybrid poplar2018In: Biotechnology for Biofuels, ISSN 1754-6834, E-ISSN 1754-6834, Vol. 11, no 1, article id 143Article in journal (Refereed)
    Abstract [en]

    When applied to recalcitrant lignocellulosic feedstocks, multi-stage pretreatments can provide more processing flexibility to optimize or balance process outcomes such as increasing delignification, preserving hemicellulose, and maximizing enzymatic hydrolysis yields. We previously reported that adding an alkaline pre-extraction step to a copper-catalyzed alkaline hydrogen peroxide (Cu-AHP) pretreatment process resulted in improved sugar yields, but the process still utilized relatively high chemical inputs (catalyst and H2O2) and enzyme loadings. We hypothesized that by increasing the temperature of the alkaline pre-extraction step in water or ethanol, we could reduce the inputs required during Cu-AHP pretreatment and enzymatic hydrolysis without significant loss in sugar yield. We also performed technoeconomic analysis to determine if ethanol or water was the more cost-effective solvent during alkaline pre-extraction and if the expense associated with increasing the temperature was economically justified.

  • 41.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Institute of Physics, Kazan Federal University, Russia.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    High CO2 absorption capacity by chemisorption at cations and anions in choline-based ionic liquids2017In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 19, no 46, p. 31216-31226Article in journal (Refereed)
    Abstract [en]

    The effect of CO2 absorption on the aromaticity and hydrogen bonding in ionic liquids is investigated. Five different ionic liquids with choline based cations and aprotic N-heterocyclic anions were synthesized. Purity and structures of the synthesized ionic liquids were characterized by 1H and 13C NMR spectroscopy. CO2 capture performance was studied at 20 °C and 40 °C under three different pressures (1, 3, 6 bar). The IL [N1,1,6,2OH][4-Triz] showed the highest CO2 capture capacity (28.6 wt%, 1.57 mol of CO2 per mol of the IL, 6.48 mol of CO2 per kg of the ionic liquid) at 20 °C and 1 bar. The high CO2 capture capacity of the [N1,1,6,2OH][4-Triz] IL is due to the formation of carbonic acid (–OCO2H) together with carbamate by participation of the –OH group of the [N1,1,6,2OH]+ cation in the CO2 capture process. The structure of the adduct formed by CO2 reaction with the IL [N1,1,6,2OH][4-Triz] was probed by using IR, 13C NMR and 1H–13C HMBC NMR experiments utilizing 13C labeled CO2 gas. 1H and 13C PFG NMR studies were performed before and after CO2 absorption to explore the effect of cation–anion structures on the microscopic ion dynamics in ILs. The ionic mobility was significantly increased after CO2 reaction due to lowering of aromaticity in the case of ILs with aromatic N-heterocyclic anions.

  • 42.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Insights into the Effect of CO2 Absorption on the Ionic Mobility of Ionic Liquids2016In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 18, no 41, p. 28617-28625Article in journal (Refereed)
    Abstract [en]

    We investigate a comparative effect of CO2 absorption on the ionic mobility of two choline based ionic liquids comprising two different anions such as threonine and imidazole. The synthesized ionic liquids were characterized using 1H and 13C NMR and other spectroscopic techniques. By keeping a common cation and changing the anion from threonine to imidazole both the viscosity and density reduced drastically. We found that [N1,1,6,2OH][Imi] exhibits the highest CO2 capture capacity at 20 °C of 5.27 mol of CO2 per kg of ionic liquid (1.27 mol of CO2 per mol of ionic liquid, 23.26 wt% of CO2) whereas [N1,1,6,2OH][Threo] exhibits 3.6 mol of CO2 per kg of ionic liquid (1.05 mol of CO2 per mol of ionic liquid, 15.87 wt% of CO2). The activation energy for diffusion is calculated using the Vogel-Fulcher-Tamman (VFT) equation in the form of diffusivity. It was found that the activation energy for the diffusion of [N1,1,6,2OH][Threo] is ∼10 times higher than that of [N1,1,6,2OH][Imi]. 1H diffusion NMR data revealed that the diffusivity of [N1,1,6,2OH][Imi] is increased after CO2 absorption whereas a decrease in diffusivity was observed in the case of [N1,1,6,2OH][Threo]. This anomalous behavior of [N1,1,6,2OH][Imi] was further explained by using DFT calculations.

  • 43.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Kaushik, Hatua
    Department of Chemistry, IIEST, Shibpur.
    Theoretical investigation of banert cascade reaction2018In: Royal Society Open Science, E-ISSN 2054-5703, Vol. 5, no 4, article id 171075Article in journal (Refereed)
    Abstract [en]

    Computational inside of Banert cascade reaction for triazole formation is studied with B3LYP/6-31G(d,p) level of theory. The reaction proceeds mainly by SN2 initial chloride displacement rather than SN2 -type attack. Furthermore, according to the rate of reaction calculation, SN2 displacement is much faster than SN2 displacement in the order of 8. The [3,3]-sigmatropic rearrangement for the conversion of propargyl azide into triazafulvene has been proved as the rate-determining step having highest activation energy parameter. Solvent effect on total course of reaction has been found negligible. Furthermore, effects of different density functional theory functionals and functional groups on activation energies of [3,3]-sigmatropic rearrangement of propargyl azide were also studied. BHHLYP, ωB97XD, M062X and BMK calculated ∆G are consistent with B3LYP.

  • 44.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ether Functionalized Choline Tethered Amino Acid Ionic Liquids for Enhanced CO2 Capture2016In: A C S Sustainable Chemistry & Engineering, ISSN 2168-0485, Vol. 4, no 10, p. 5441-5449Article in journal (Refereed)
    Abstract [en]

    Amino acid ionic liquids (ILs) are the most interesting and effective for CO2 capture due to their low toxicity, biodegradability and fast reactivity towards CO2. Ionic nature of amino acid ILs can raise an environmental issue if the cation counterpart becomes toxic to the aquatic ecosystems and can become potential atmospheric pollutant. In this regard, choline based ILs are known to be promising scaffolds for the development of less toxic amino acid ILs. However, the existing choline amino acid ILs are highly viscous limiting their applicability as solvents. Ether functionalized choline based amino acid ILs with novel series of less toxic green ILs were explored with reduced viscosity and high CO2 capture capacity. A simple, economic, clean and environmentally benign method was utilized for the synthesis of novel choline based amino acid ILs using a commercially available and economical starting material 2-(dimethylamino)ethanol (deanol, a human dietary food supplement). Reported ILs have low viscosity with high CO2 capture capacity (1.62 mol of CO2 /mol of IL, 4.31 mol of CO2/kg of IL, 19.02 wt.% of CO2). Mechanism of [N1,1,6,2O4][Lys]+CO2 reaction and adduct structure was proposed by means of DFT and NMR.

  • 45.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Functionalized Choline Based Amino Acid Ionic Liquids: Scope Of Bio-ILs2016Conference paper (Refereed)
  • 46.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Thermal stability of choline based amino acid ionic liquids2018In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 266, p. 597-602Article in journal (Refereed)
    Abstract [en]

    Thermal stability of different choline based amino acid ionic liquids were studied. Both short term as well as long term thermal studies were carried out. Long term thermal studies of all ILs were carried out by isothermal TGA and short term thermal studies were measured by temperature ramped TGA. Isothermal TGA were studied at two different temperatures 100 °C and 150 °C for 500 min. Whereas, short term thermal stability represents as T2%, T5% and T10% which are the temperature at which 2%, 5% and 10% mass loss of ILs were observed. The effect of alkyl side chain on the cation, etherification of the cation as well structural variation of anion on the thermal stability of choline based ILs were investigated. It was observed that thermal characteristics of ILs towards temperature ramped TGA were different compared to isothermal TGA.

  • 47.
    Bhuiyan, Iftekhar Uddin
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Mouzon, Johanne
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering.
    Schröppel, Birgit
    Natural and Medical Sciences Institute (NMI), University of Tübingen.
    Kaech, Andres
    Center for Microscopy and Image Analysis, University of Zurich.
    Dobryden, Illia
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Forsmo, Seija P.E.
    LKAB, Research & Development, 983 81 Malmberget.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering.
    Microstructure of Bentonite in Iron Ore Green Pellets2014In: Microscopy and Microanalysis, ISSN 1431-9276, E-ISSN 1435-8115, Vol. 20, no 1, p. 33-41Article in journal (Refereed)
    Abstract [en]

    Sodium-activated calcium bentonite is used as a binder in iron ore pellets and is known to increase strength of both wet and dry iron ore green pellets. In this article, the microstructure of bentonite in magnetite pellets is revealed for the first time using scanning electron microscopy. The microstructure of bentonite in wet and dry iron ore pellets, as well as in distilled water, was imaged by various imaging techniques (e.g., imaging at low voltage with monochromatic and decelerated beam or low loss backscattered electrons) and cryogenic methods (i.e., high pressure freezing and plunge freezing in liquid ethane). In wet iron ore green pellets, clay tactoids (stacks of parallel primary clay platelets) were very well dispersed and formed a voluminous network occupying the space available between mineral particles. When the pellet was dried, bentonite was drawn to the contact points between the particles and formed solid bridges, which impart strength to the solid compact.

  • 48.
    Blokhin, Dimitry S.
    et al.
    Institute of Physics, Kazan (Volga Region) Federal University.
    Fayzullina, Adeliya R.
    Chemistry Institute, Kazan Federal University.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Karataeva, Farida Kh.
    Alexander Butlerov Institute of Chemistry, Kazan Federal University, Chemistry Institute, Kazan Federal University.
    Klochkov, Vladimir V.
    Institute of Physics, Kazan (Volga Region) Federal University.
    Spatial structure of fibrinopeptide B in water solution with DPC micelles by NMR spectroscopy2015In: Journal of Molecular Structure, ISSN 0022-2860, E-ISSN 1872-8014, Vol. 1102, p. 91-94Article in journal (Refereed)
    Abstract [en]

    Fibrinopeptide B (GluFib) is one of the factors of thrombosis. Normal blood protein soluble, fibrinogen (fibrinopeptide A and fibrinopeptide B), is transformed into the insoluble, fibrin, which in the form of filaments adheres to the vessel wall at the site of injury, forming a grid. However, the spatial structure of this peptide has not been established till now. In this article, GluFib peptide is investigated together with dodecylphosphocholine (DPC) micelles which were used for mimicking the environment of peptide in blood vessels. The spatial structure was obtained by applying 1D and 2D 1H-1H NMR spectroscopy (TOCSY, NOESY). It was shown that the fibrinopeptide B does not have a secondary structure but we can distinguish the fragment Gly 9 – Arg 14 with a good convergence (the backbone RMSD for the Gly9 – Arg14 is 0.18 ± 0.08 Å).

  • 49.
    Blokhin, Dimitry S.
    et al.
    Institute of Physics, Kazan (Volga Region) Federal University.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Afonin, Sergei
    Karlsruhe Institute of Technology.
    Klochkov, Vladimir V.
    Institute of Physics, Kazan (Volga Region) Federal University.
    Spatial Structures of PAP(262–270) and PAP(274–284), Two Selected Fragments of PAP(248–286), an Enhancer of HIV Infectivity2015In: Applied Magnetic Resonance, ISSN 0937-9347, E-ISSN 1613-7507, Vol. 46, no 7, p. 757-769Article in journal (Refereed)
    Abstract [en]

    Prostatic acid phosphatase (PAP) assembles into amyloid fibrils that facilitate infection by HIV. Its peptide fragments PAP(248–286) and PAP(85–120) also enhance attachment of the virus by viral adhesion to the host cell prior to receptor-specific binding via reducing the electrostatic repulsion between the membranes of the virus and the target cell. The secondary structure of monomeric PAP(248–286) in a biomembrane-mimicking environment can be separated into an N-terminal unordered region, an α-helical central domain, and an α/310-helical C-terminal section (Nanga et al., J. Am. Chem. Soc., 131:17972–17979, 2009). In this work, we used two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy techniques to study spatial structures of isolated central [PAP(262–270)] and C-terminal [PAP(274–284)] fragments of PAP(248–286) in SDS micelle solutions. NMR studies revealed the formation of complexes of both peptides with SDS micelles, with attraction to the micelle membranes occurring mainly through nonpolar and uncharged residues of the peptides. We demonstrate that, when interacting with SDS micelles, PAP(262–270) and PAP(274–284) form α-helical and 310-helical secondary structures, respectively, similar to that found previously for the 39-residue PAP(248–286).

  • 50.
    Blokhin, Dimitry S.
    et al.
    Institute of Physics, Kazan (Volga Region) Federal University.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Karataeva, Farida Kh.
    Alexander Butlerov Institute of Chemistry, Kazan Federal University.
    Klochkov, Vladimir V.
    Institute of Physics, Kazan (Volga Region) Federal University.
    Spatial structure of oligopeptide PAP(248-261), the N-terminal fragment of the HIV enhancer prostatic acid phosphatase peptide PAP(248-286), in aqueous and SDS micelle solutions2014In: Journal of Molecular Structure, ISSN 0022-2860, E-ISSN 1872-8014, Vol. 1070, p. 38-42Article in journal (Refereed)
    Abstract [en]

    Prostatic acid phosphatase (PAP) is an enzyme that facilitates infection of cells by HIV. Its peptide fragment PAP(248-286) forms amyloid fibrils known as SEVI, which enhance attachment of the virus by viral adhesion to the host cell prior to receptor-specific binding via reducing the electrostatic repulsion between the membranes of the virus and the target cell. The secondary structure of PAP(248-286) in aqueous and SDS solutions can be divided into an N-terminal disordered region, an -helical central part and an /310-helical C-terminal region (R.P.R. Nanga et al., JACS, 2009, 131, 17972). In this work, we used NMR spectroscopy to study the spatial structure of the isolated N-terminal fragment of PAP(248-286), PAP(248-261) (GIHKQKEKSRLQGG), in aqueous and SDS micelle solutions. Formation of a PAP(248-261)-SDS complex was confirmed by chemical shift alterations in the 1H NMR spectra of the peptide, as well as by the signs and values of Nuclear Overhauser Effect (NOE). In addition, the PAP(248-261) peptide does not form any specified secondary structure in either aqueous or SDS solutions.

1234567 1 - 50 of 336
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf