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  • 1.
    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.

  • 2.
    Ahmed, Mukhtiar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Bhowmick, Sourav
    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.
    Johansson, Patrik
    Materials Physics, Department of Physics, Chalmers University of Technology, 41296 Gothenburg, Sweden.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ionic Liquids and Electrolytes with Flexible Aromatic Anions2023In: Chemistry - A European Journal, ISSN 0947-6539, E-ISSN 1521-3765, Vol. 29, no 41, article id e202301000Article in journal (Refereed)
    Abstract [en]

    Five new n-tetrabutylphosphonium (P4444)+ cation based ionic liquids (ILs) with oligoether substituted aromatic carboxylate anions have been synthesized. The nature and position of the oligoether chain affect thermal stability (up to 330 ºC), phase behaviour (Tg < -55 ºC) and ion transport. Furthermore, with the aim of application in lithium batteries, electrolytes were created for two of the ILs by 10 mol% doping using the corresponding Li-salts. This affects the ion diffusion negatively, from being higher and equal for cations and anions to lower for all ions and unequal. This is due to the stronger ionic interactions and formation of aggregates, primarily between the Li+ ions and the carboxylate group of the anions. Electrochemically, the electrolytes have electrochemical stability windows up to 3.5 V, giving some promise for battery application.

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  • 3.
    Ahmed, Mukhtiar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Rao, Soniya S.
    Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Johansson, Patrik
    Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Aromatic Heterocyclic Anion Based Ionic Liquids and Electrolytes2023In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 25, no 4, p. 3502-3512Article in journal (Refereed)
    Abstract [en]

    Five new ionic materials comprising fluorine-free aromatic heterocyclic anions based on pyridine and pyrazine combined with a common n-tetrabutylphosphonium cation, (P4444)+, result in two room temperature ionic liquids (RTILs), one semi-solid, and two organic ionic plastic crystals (OIPCs) with melting points >20 °C. The OIPCs showed a plastic crystalline phase, multiple solid–solid transitions, and plastic crystalline and melt phases. For both the neat RTILs and the Li+ conducting electrolytes, the nature and strength of the ion–ion interactions mainly depend on the position of the nitrogen atom with respect to the carboxylate group in the anions. Furthermore, for the RTILs the ionic conductivity is effected by the electronic structure and flexibility of the ions and the anions diffuse faster than the (P4444)+ cation, but are slowed down in the electrolytes due to the strong electrostatic interactions between the carboxylate group of the anions and the Li+, as shown both experimentally and computationally. Overall, this study describes the effect of structural tuning of aromatic anions on the ion–ion interactions and introduces new ionic materials with promising properties to be used as solid and liquid electrolytes in energy storage devices.

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  • 4.
    Altaee, Mohammed J.
    et al.
    Environmental Research and Studies Centre, University of Babylon, Hilla, Iraq.
    Altayee, Sarmed A. S.
    Department of Chemical Engineering, College of Engineering, University of Babylon, Hilla 51001, Iraq.
    Kadhim, Majid M. A.
    Department of Civil Engineering, College of Engineering, University of Babylon, Hilla 51001, Iraq.
    Jawdhari, Akram
    Department of Civil Engineering, Queen’s University, Kingston, Canada.
    Majdi, Ali
    Building and Construction Techniques Engineering, Al-Mustaqbal University College, 51001, Babylon, Iraq.
    Chabuk, Ali
    Department of Environment Engineering, College of Engineering, University of Babylon, Hilla 51001, Iraq.
    Al-Ansari, Nadhir
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Mining and Geotechnical Engineering. Department of Civil Environmental and Natural Resources Engineering, Luleå University of Technology, Luleå 97187, Sweden.
    Evaluation of Existing Bond-Slip Relations for CFRP-Steel Joints and New Model for Linear and Nonlinear Adhesives2022In: Advances in Civil Engineering / Hindawi, ISSN 1687-8086, E-ISSN 1687-8094, Vol. 2022, article id 3673438Article in journal (Refereed)
    Abstract [en]

    Existing bond-slip (τ-s) relations for fibre-reinforced polymer (FRP)-steel joints employ different shapes and mathematical expressions, inferring that their predictions of failure load and mode, and other interface properties, might be inconsistent or inaccurate. In this study, predictions of four widely used τ-s relations are evaluated using a large experimental database of 78 double-lap FRP-steel specimens. To facilitate the evaluation process, a robust finite element (FE) model is developed for each test, implementing data from either of the existing τ-s relations to define the FRP-steel interface. Comparisons between test and FE results indicated that the existing τ-s models were unable of predicting the ultimate load (Pu) and effective bond length (Leff) of FRP-steel joints, or the relation between Pu and bond length and that between Leff and FRP modulus (Ef). A new τ-s model is developed based on an inverse FE simulation, comparison with experimental results, and regression analysis. It considers the effects of Ef, the type of FRP reinforcement (sheet or plate), and applies to both linear and nonlinear adhesives. The model predictions were validated by comparing with results from small bond tests and large FRP-strengthened steel beams tested under bending, yielding excellent results for Pu, failure mode, and all other interfacial properties.

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  • 5.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, “Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Wu, Muqiu
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Zhu, Yudan
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Atomic force microscopy probing interactions and microstructures of ionic liquids at solid surfaces2022In: Nanoscale, ISSN 2040-3364, E-ISSN 2040-3372, no 14, p. 11098-11128Article, review/survey (Refereed)
    Abstract [en]

    Ionic liquids (ILs) are room temperature molten salts that possess preeminent physicochemical properties and have shown great potential in many applications. However, the use of ILs in surface-dependent processes, e.g. energy storage, is hindered by the lack of a systematic understanding of the IL interfacial microstructure. ILs on the solid surface display rich ordering, arising from coulombic, van der Waals, solvophobic interactions, etc., all giving near-surface ILs distinct microstructures. Therefore, it is highly important to clarify the interactions of ILs with solid surfaces at the nanoscale to understand the microstructure and mechanism, providing quantitative structure–property relationships. Atomic force microscopy (AFM) opens a surface-sensitive way to probe the interaction force of ILs with solid surfaces in the layers from sub-nanometers to micrometers. Herein, this review showcases the recent progress of AFM in probing interactions and microstructures of ILs at solid interfaces, and the influence of IL characteristics, surface properties and external stimuli is thereafter discussed. Finally, a summary and perspectives are established, in which, the necessities of the quantification of IL–solid interactions at the molecular level, the development of in situ techniques closely coupled with AFM for probing IL–solid interfaces, and the combination of experiments and simulations are argued.

  • 6.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China. Center for Nanotechnology (CeNTech), Institute of Physics, Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany.
    Qiu, Xiuhua
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Riehemann, Kristina
    Center for Nanotechnology (CeNTech), Institute of Physics, Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany.
    Fuchs, Harald
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China. Center for Nanotechnology (CeNTech), Institute of Physics, Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany.
    Controlling the nanoscale friction by layered ionic liquid films2020In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 22, no 26, p. 4941-14952Article in journal (Refereed)
    Abstract [en]

    The nanofriction coefficient of ionic liquids (ILs), 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]), on the surfaces of mica and graphite was investigated using atomic force microscopy (AFM). A pronounced layered spatial distribution was found in the IL film formed on the solid substrates and can be divided into 3 well distinguishable regions exhibiting different physical properties with increasing distance from the substrate. We found that the friction coefficient (μ) increases monotonically as the layering thickness decreases, no matter what the thickness of the bulk IL is. This suggests that the layering assembled IL at solid surfaces is more important than the bulk phase in determining the magnitude of the nanoscale friction. The increase in the friction coefficient as the layering thickness decreases is most likely attributed to the assembled ordered IL layers closer to the substrate surfaces having a greater activation barrier for unlocking the surfaces to allow shear.

  • 7.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
    Wei, Yudi
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
    Qiu, Xiuhua
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
    Dai, Zhongyang
    High Performance Computing Department, National Supercomputing Center in Shenzhen, Shenzhen, 518055, China.
    Wu, Muqiu
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
    Gnecco, Enrico
    Otto Schott Institute of Materials Research (OSIM), Friedrich Schiller University Jena, Jena, 07743, Germany.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Zhang, Wenling
    School of Mechanical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
    Ionic liquids on uncharged and charged surfaces: In situ microstructures and nanofriction2022In: Friction, ISSN 2223-7690, E-ISSN 2223-7704, Vol. 10, no 11, p. 1893-1912Article in journal (Refereed)
    Abstract [en]

    In situ changes in the nanofriction and microstructures of ionic liquids (ILs) on uncharged and charged surfaces have been investigated using colloid probe atomic force microscopy (AFM) and molecular dynamic (MD) simulations. Two representative ILs, [BMIM][BF4] (BB) and [BMIM][PF6] (BP), containing a common cation, were selected for this study. The torsional resonance frequency was captured simultaneously when the nanoscale friction force was measured at a specified normal load; and it was regarded as a measure of the contact stiffness, reflecting in situ changes in the IL microstructures. A higher nanoscale friction force was observed on uncharged mica and highly oriented pyrolytic graphite (HOPG) surfaces when the normal load increased; additionally, a higher torsional resonance frequency was detected, revealing a higher contact stiffness and a more ordered IL layer. The nanofriction of ILs increased at charged HOPG surfaces as the bias voltage varied from 0 to 8 V or from 0 to —8 V. The simultaneously recorded torsional resonance frequency in the ILs increased with the positive or negative bias voltage, implying a stiffer IL layer and possibly more ordered ILs under these conditions. MD simulation reveals that the [BMIM]+ imidazolium ring lies parallel to the uncharged surfaces preferentially, resulting in a compact and ordered IL layer. This parallel “sleeping” structure is more pronounced with the surface charging of either sign, indicating more ordered ILs, thereby substantiating the AFM-detected stiffer IL layering on the charged surfaces. Our in situ observations of the changes in nanofriction and microstructures near the uncharged and charged surfaces may facilitate the development of IL-based applications, such as lubrication and electrochemical energy storage devices, including supercapacitors and batteries.

  • 8.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P.R. China. Center for Nanotechnology (CeNTech), Institute of Physics, Westfälische Wilhelms, Universität Münster, Münster, Germany .
    Wu, Muqiu
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P.R. China.
    Li, Jing
    State Key Laboratory of Materials Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, Nanjing, P.R. China.
    Qiu, Xiuhua
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P.R. China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Li, Jianliang
    Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P.R. China.
    On the Ionic Liquid Film ‘Pinned’ by Core-Shell Structured Fe3O4@Carbon Nanoparticles and Their Tribological Properties2019In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 21, no 48, p. 26387-26398Article in journal (Refereed)
    Abstract [en]

    A strongly ‘pinned’ ionic liquid (IL, [BMIM][PF6]) film onto silicon (Si) surface via carbon capsuled Fe3O4 core-shell (Fe3O4@C) nanoparticles is achieved, revealing excellent friction-reducing ability at a high load. The adhesion force is measured as ~ 198 nN at the Fe3O4@C-Si interface by Fe3O4@C colloidal AFM tip, which is stronger than that at both Fe3O4@C-Fe3O4@C (~ 60 nN) and IL-Si (~ 10 nN) interfaces, indicating a strong ‘normal pin-force’ towards the Si substrate. The resulting strengthened force enables the formation of lateral IL networks via the dipole-dipole attractions among Fe3O4 cores. The observed blue shift of the characteristic band related to the IL anion in ATR-FTIR spectra confirmed the enhanced interaction. The N-Si, P-O chemical bonds formed as a result of the IL interactions with the Si substrate confirmed by XPS spectroscopy suggested that the IL lay on the Si plane. This orientation is favorable for Fe3O4@C nanoparticles to exert ‘normal pin-force’ and press the IL film strongly onto surfaces. The IL ios/clusters are thus anchored by these Fe3O4@C ‘pins’ onto the substrate to form a dense film, resulting in a smaller interaction size parameter, which is responsible for the reduced friction coefficient μ.

  • 9.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Wu, Nanhua
    Key Laboratory of Advanced Catalytic Materials and Technology, School of Petrochemical Engineering, Changzhou University, Changzhou 213164, China.
    Gao, Qingwei
    College of Environmental and Chemical Engineering, Shanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power, Shanghai University of Electric Power, Shanghai 200090, China.
    Dong, Yihui
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot, 76100, Israel.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, ‘‘Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Fuchs, Harald
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China; Center for Nanotechnology (CeNTech), Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany.
    Integrative Studies of Ionic Liquid Interface Layers: Bridging Experiments, Theoretical Models and Simulations2024In: Nanoscale Horizons, ISSN 2055-6756Article in journal (Refereed)
    Abstract [en]

    Ionic liquids (ILs) are a class of salts existing in the liquid state below 100 C, possessing low volatility, high thermal stability as well as many highly attractive solvent and electrochemical capabilities, etc., making them highly tunable for a great variety of applications, such as lubricants, electrolytes, and soft functional materials. In many applications, ILs are first either physi- or chemisorbed on a solid surface to successively create more functional materials. The functions of ILs at solid surfaces can differ considerably from those of bulk ILs, mainly due to distinct interfacial layers with tunable structures resulting in new ionic liquid interface layer (ILIL) properties and enhanced performance. Due to an almost infinite number of possible combinations among the cations and anions to form ILs, the diversity of various solid surfaces, as well as different external conditions and stimuli, a detailed molecular-level understanding of their structure–property relationship is of utmost significance for a judicious design of IL–solid interfaces with appropriate properties for task-specific applications. Many experimental techniques, such as atomic force microscopy, surface force apparatus, and so on, have been used for studying the ion structuring of ILIL. Molecular Dynamics simulations have been widely used to investigate the microscopic behavior of the ILIL. To interpret and clarify the IL structure and dynamics as well as to predict their properties, it is always beneficial to combine both experiments and simulations as close as possible. In another theoretical model development to bridge the structure and properties of ILIL with performance, thermodynamic (TD) prediction & property modeling has been demonstrated as an effective tool to add the properties and function of the studied nanomaterials. Herein, we present recent findings from applying the multiscale triangle “experiment–molecular simulation–TD modeling” in the studies of ion structuring of ILs in the vicinity of solid surfaces, as well as how it qualitatively and quantitatively correlates to the overall ILs properties, performance, and function. We introduce the most common techniques behind “experiment–molecular simulation–modeling” and how they are applied for studying the ILIL structuring, and we highlight the possibilities of the ILIL structuring in applications such as lubrication and energy storage.

  • 10.
    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.

  • 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.
    Andren, Henrik
    et al.
    Luleå University of Technology.
    Rodushkin, Ilia
    Analytica AB, Luleå, Sweden.
    Stenberg, Anna
    Luleå University of Technology.
    Malinovskiy, Dmitry
    Luleå University of Technology.
    Baxter, Douglas
    Analytica AB, Luleå, Sweden.
    Sources of mass bias and isotope ratio variation in multi-collector ICP-MS: optimization of instrumental parameters based on experimental observations2004In: Journal of Analytical Atomic Spectrometry, ISSN 0267-9477, E-ISSN 1364-5544, Vol. 19, no 9, p. 1217-1224Article in journal (Refereed)
    Abstract [en]

    In this work, several contributing factors to the observed mass bias in inductively coupled plasma mass spectrometry (ICP-MS) have been identified. Analyses of the isotopic compositions of B deposited on sampler and skimmer cones demonstrate enrichment of [1][0]B on the former and [1][1]B on the latter. Grounding the capacitive discharge system to enhance sensitivity also magnified the level of [1][1]B enrichment on the skimmer cone more than four-fold. This supersonic expansion of the ion beam behind the sampler is confirmed to be an important source of mass bias. Isotopic analyses of the Fe, Zn and Ti leached from used extraction lenses yielded a linear relationship between the levels of lighter isotope depletion and mass ratio. Although consistent with the space-charge effect, the fact that isotopically-heavy deposits were found demonstrates that the ion beam diverges into a relatively wide solid angle in the field-free region behind the skimmer. This severely impairs transmission of, in particular, the lighter isotopes. For a wide range of elements (Li, B, Fe, Ni, Cu, Sb, Ce, Hf and Re), the magnitude of the mass bias was found to be affected by the sample gas flow rate, as well as the distance between the sampler and the end of the torch, i.e., the sampling depth, employed in the Neptune multi-collector ICP-MS instrument. Mathematical analysis of the profiles of intensity variations as a function of these instrumental parameters revealed that the response peaks closer to the torch for the heavier isotopes of all studied elements. Owing to this spatial non-coincidence, tuning for maximum intensity on either isotope will result in sampling from a region where even slight plasma instabilities will be translated into substantial variations in mass bias. Therefore, in-plasma processes also contribute to the degree and temporal stability of mass bias. In light of these findings, recommendations for optimizing multi-collector ICP-MS with respect to obtaining the highest possible precision are presented.

  • 13.
    Andrén, Henrik
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering.
    Studies of artificial mass bias in isotopic measurements by inductively coupled plasma mass spectrometry2004Licentiate thesis, comprehensive summary (Other academic)
    Abstract [en]

    Mass spectrometry, and especially inductively coupled plasma mass spectrometry (ICP-MS), suffers heavily from mass bias, or instrumental mass discrimination. The nett result of this effect is the preferential transmission, most often of heavier ions through the mass spectrometer. Most work regarding this phenomenon in ICP-MS dates back quite far, and has been interpreted in terms of the space-charge effect. This means that Coulombic forces acting on the beam of positively charged particles extracted from the ICP result in greater dissipation of lighter, and hence more mobile ions from the beam axis. In this work the importance of the space-charge effect as a universal explanation for mass bias is challenged by the results of high precision measurements of isotope ratios. Other than considering some commonly known sources of isotope ratio measurement bias, a not previously considered mechanism of isotopic fractionation has been investigated, i.e. diffusion in solution. It was established that, indeed, diffusion does lead to isotopic fractionation in solution, and although this is a long term process, may contribute to the minor isotopic variations observed in certain aquatic environments. Furthermore it was established that spectral interferences of argone oxide ions could be discerned from the ions of iron using high resolution ICP-MS, thus eliminating this potential source of artificial fractionation. Most significant was the discovery that the extent of mass bias varied throughout the volume of the plasma, and was further affected by sample characteristics, such as analyte concentration and acid strength. This identifies the plasma itself as the major source of instrumental mass discrimination. Varying the sampling position, i.e. the point at which ions are extracted from the plasma, not only affected the measured isotope ratios, but also the precision of such measurements. From these results, it is not recommended to measure at the sampling position providing maximum signal, since the variability in the isotope ratio is also at its' maximum there. Instead, the ions should be sampled from a point below the maximum, where the stability of the ratios will be better.

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  • 14.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Amyloidosis of Alzheimer's A peptides: solid-state nuclear magnetic resonance, electron paramagnetic resonance, transmission electron microscopy, scanning transmission electron microscopy and atomic force microscopy studies2004In: Magnetic Resonance in Chemistry, ISSN 0749-1581, E-ISSN 1097-458X, Vol. 42, no 2, p. 231-246Article in journal (Refereed)
    Abstract [en]

    Aggregation cascade for Alzheimer's amyloid-β peptides, its relevance to neurotoxicity in the course of Alzheimer's disease and experimental methods useful for these studies are discussed. Details of the solid-phase peptide synthesis and sample preparation procedures for Alzheimer's β-amyloid fibrils are given. Recent progress in obtaining structural constraints on Aβ-fibrils from solid-state NMR and scanning transmission electron microscopy (STEM) data is discussed. Polymorphism of amyloid fibrils and oligomers of the 'Arctic' mutant of Aβ(1-40) was studied by 1H,13C solid-state NMR, transmission electron microscopy (TEM) and atomic force microscopy (AFM), and a real-time aggregation of different polymorphs of the peptide was observed with the aid of in situ AFM. Recent results on binding of Cu(II) ions and Al-citrate and Al-ATP complexes to amyloid fibrils, as studied by electron paramagnetic resonance (EPR) and solid-state 27Al NMR techniques, are also presented.

  • 15.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Molecular structure determination: applications in biology2002In: Solid state NMR spectroscopy: principles and applications, Oxford: Blackwell Science , 2002, p. 280-390Chapter in book (Other academic)
  • 16.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Polymorphism of Alzheimer´s A-beta Amyloid Fibrils2006In: Modern Magnetic Resonance: Applications in Chemistry, Biological and Marine Sciences, Dordrecht: Encyclopedia of Global Archaeology/Springer Verlag, 2006, p. 15-23Chapter in book (Other academic)
    Abstract [en]

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

  • 17.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Polymorphism of Alzheimer´s A-beta Amyloid Fibrils and Oligomers2017In: Modern Magnetic Resonance / [ed] Graham A. Webb, Springer International Publishing , 2017, p. 1-15Chapter in book (Other academic)
    Abstract [en]

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

  • 18.
    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.

  • 19.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Polymorphism of Amyloid Fibrils and Aggregation Kinetics of Alzheimer's Abeta peptides: solid state NMR, EM and AFM studies2005In: NMR in Molecular Biology: EuroConference on Structural Genomics: Structure, Dynamics and Interactions of Biomolecules, 2005, p. 35-Conference paper (Refereed)
  • 20.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Sideband manipulation in magic-angle-spinning nuclear magnetic resonance1999In: Progress in nuclear magnetic resonance spectroscopy, ISSN 0079-6565, E-ISSN 1873-3301, Vol. 35, no 3, p. 203-266Article in journal (Refereed)
  • 21.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Balbach, John J.
    Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda.
    Leapman, Richard D.
    Division of Bioengineering and Physical Science, Office of Research Services, National Institutes of Health, Bethesda.
    Rizzo, Nancy W.
    Division of Bioengineering and Physical Science, Office of Research Services, National Institutes of Health, Bethesda.
    Reed, Jennifer
    Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda.
    Tycko, Robert
    National Institutes of Health, Bethesda.
    Multiple quantum solid-state NMR indicates a parallel, not antiparallel, organization of β-sheets in Alzheimer's β-amyloid fibrils2000In: Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, E-ISSN 1091-6490, Vol. 97, no 24, p. 13045-13050Article in journal (Refereed)
    Abstract [en]

    Senile plaques associated with Alzheimer's disease contain deposits of fibrils formed by 39- to 43-residue β-amyloid peptides with possible neurotoxic effects. X-ray diffraction measurements on oriented fibril bundles have indicated an extended β-sheet structure for Alzheimer's β-amyloid fibrils and other amyloid fibrils, but the supramolecular organization of the β-sheets and other structural details are not well established because of the intrinsically noncrystalline, insoluble nature of amyloid fibrils. Here we report solid-state NMR measurements, using a multiple quantum (MQ) 13C NMR technique, that probe the β-sheet organization in fibrils formed by the full-length, 40-residue β-amyloid peptide (Aβ1-40). Although an antiparallel β-sheet organization often is assumed and is invoked in recent structural models for full-length β-amyloid fibrils, the MQNMR data indicate an in-register, parallel organization. This work provides site-specific, atomic-level structural constraints on full-length β-amyloid fibrils and applies MQNMR to a significant problem in structural biology.

  • 22.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Balbach, John J.
    National Institutes of Health.
    Tycko, Robert
    National Institutes of Health.
    Site-Specific Identification of Non-ß-Strand Conformations in Alzheimer's ß-Amyloid Fibrils by Solid-State NMR2003In: Biophysical Journal, ISSN 0006-3495, E-ISSN 1542-0086, Vol. 84, no 5, p. 3326-3335Article in journal (Refereed)
    Abstract [en]

    The most well-established structural feature of amyloid fibrils is the cross-ß motif, an extended ß-sheet structure formed by ß-strands oriented perpendicular to the long fibril axis. Direct experimental identification of non-ß-strand conformations in amyloid fibrils has not been reported previously. Here we report the results of solid-state NMR measurements on amyloid fibrils formed by the 40-residue ß-amyloid peptide associated with Alzheimer's disease (Aß1-40), prepared synthetically with pairs of 13C labels at consecutive backbone carbonyl sites. The measurements probe the peptide backbone conformation in residues 24-30, a segment where a non-ß-strand conformation has been suggested by earlier sequence analysis, cross-linking experiments, and molecular modeling. Data obtained with the fpRFDR-CT, DQCSA, and 2D MAS exchange solid-state NMR techniques, which provide independent constraints on the and backbone torsion angles between the labeled carbonyl sites, indicate non-ß-strand conformations at G25, S26, and G29. These results represent the first site-specific identification and characterization of non-ß-strand peptide conformations in an amyloid fibril

  • 23. Antzutkin, Oleg
    et al.
    Benetis, N. P.
    Lindgren, M.
    Linköping University.
    Lund, A.
    Molecular motion of the Morpholin-1-yl radical in CF2 ClCFCl2 as studied by ESR: use of residual anisotrophy of powder spectra to extract dynamics1993In: Chemical Physics, ISSN 0301-0104, E-ISSN 1873-4421, Vol. 169, no 2, p. 195-205Article in journal (Refereed)
    Abstract [en]

    The dynamics of the deprotonated neutral morpholin-1-yl radical, trapped in a halocarbon matrix, CF2ClCFCl2, has been studied utilizing electron spin resonance (ESR) spectroscopy. The experimental lineshapes of the radical exhibit an alterating line-width effect in the temperature range 105-144 K. The major changes of the ESR lineshape were governed by the averaging of the nitrogen hyperfine anisotropy while no exchange of the isotropic hyperfine coupling constants was observed. Geometrical parameters specifying the restricted anisotropic rotation of the whole radical trapped in the matrix could be extracted. Two methods for simulating anisotropic exchange broadened ESR spectra, the secular and non-perturbative, were utilized to investigate the dynamics of the radical. A surprisingly simple ''three-site'' jump model with a barrier of almost-equal-to 3.6 kcal/mol can be applied in the simulation of the experimental spectra. It has been shown that the secular method cannot reproduce the exchange broadened ESR spectra of systems with large hyperfine anisotropy undergoing large internal reorganisation.

  • 24.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Wong, Alan
    University of Warwick.
    Baldus, Johanna Becker
    University of Warwick.
    Hung, Ivan
    University of Warwick.
    Kukol, A.
    University of Warwick.
    Brown, Steven P.
    University of Warwick.
    Smith, Mark E.
    University of Warwick.
    Dupree, Ray
    University of Warwick.
    Exploring solid-state 17O NMR to distinguish secondary structures in Alzheimer's Aβ fibrils2009Conference paper (Refereed)
  • 25.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Filippov, Andrei
    Wong, Alan
    University of Warwick.
    Baldus, Johanna
    University of Warwick.
    Hung, Ivan
    University of Warwick.
    Kukol, A.
    University of Warwick.
    Brown, Steven P.
    University of Warwick.
    Smith, Mark E.
    University of Warwick.
    Dupree, Ray
    University of Warwick.
    Exploring solid-state 17O NMR to distinguish secondary structures in Alzheimer's Aβ fibrils2009In: Euromar 2009: Magnetics Resonance Conference, 5-9 July 2009, Göteborg, Sweden. Programme and Abstract Book, 2009, p. 107-Conference paper (Other academic)
    Abstract [en]

    It has been shown by a large number of studies that Alzheimer's disease (AD) amyloid-β-peptide (Aβ) deposits contribute directly to the disease's progressive neurodegeneration. Aggregation cascade for Aβ peptides, its relevance to neurotoxicity in the course of AD, various factors modulating Aβ aggregation kinetics and experimental methods useful for these studies were recently discussed [1]. Results of Tycko and co-workers point at neurotoxicity in vitro of the two different types of Alzheimer's amyloid fibrils dispersed by ultrasonication into small fragments [2]. The high toxicity of Aβ oligomers in vitro has been discussed by Stege et. al who have found that the molecular chaperone αB-crystallin prevents Aβ from forming amyloid fibrils but nevertheless enhances Aβ toxicity [3]. Glabe and co-workes successfully prepared antibodies for Aβ oligomers and small spherical aggregates using nanogold technology [4]. They also have shown that these antibodies decrease toxicity of Aβ for SH-SY5Y human neuroblastoma cell cultures in vitro [4]. In this concern both structure of Aβ-oligomers/fibrils and the specific  interaction (aggregation/fusion) of Aβ peptides with nerve cell membranes is of a particular importance [5].We explore Solid-State 17O NMR on selectively 17O,13C,15N-labeled Aβ(1-40), Aβ(11-25) and Ac-Aβ(16-22)-NH2 peptides to distinguish a parallel and anti-parallel β-sheet secondary structures in β-NH2 peptides to distinguish a parallel and anti-parallel β-sheet secondary structures in amyloid fibrils. Aβ(1-40) fibrils form in-registry parallel β-sheets [6], while Aβ(11-25) [7] and Ac-Aβ(16-22)-NH2 [8] form different anti-parallel β-sheet structures, which were previously identified β-NH2 [8] form different anti-parallel β-sheet structures, which were previously identified by 13C multiple-quantum and 13C{15N} REDOR solid-state NMR. In our unpublished work presented here it was found that 17O NMR chemical shifts are sensitive to the type of the secondary structure, i. e. a parallel vs. an anti-parallel β-sheet structures, while the quadrupolar parameters of 17O nuclei unexpectedly do not vary beyond the error limits in the simulated lineshapes of both fibrillized and unfibrillized peptide systems. Results of more advanced solidstate NMR techniques to measure heteronuclear distances, 15N{17O}-REAPDOR, 15N{17O}-TRAPDOR and 17O{15N}-REDOR on selectively 17O-Val18 and 15N-Phe20 labeled Ac-Aβ(16-22)-NH2 fibrils will be also discussed. These novel solid-state NMR experiments will provide additional tools for measuring hydrogen bonding in different secondary structures of peptides in amyloid fibrils.[1.] O.N.Antzutkin, Magn. Reson. Chem. 42 (2004) 231-246; [2.] A.Petkova et al. Science 307 (2005) 262-265; [3.] G.J.J.Stege, et al. Biochem. Biophys. Res. Comm., 262 (1999) 152-156;[4.] R.Kayed et al. Science, 300 (2003) 486-489; [5.] M.Bokvist, et al. J. Mol. Biol. 335 (2004) 1039-1049; [6.] O.N. Antzutkin, et al. Proc. Nat. Acad. Sci, U.S.A., 97 (2000) 13045-13050;[7.] A.T. Petkova, et al. J. Mol. Biol., 335 (2004) 247-260;[8.] J.J. Balbach, Y. (2000) 13045-13050; [9] A.T. Petkova, (2004) 247-260; [10] J.J. Balbach, Y.Ishii, O.N. Antzutkin, et al. Biochemistry 39 (2000) 13748-13759.

  • 26.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Iuga, Dino
    Department of Physics, Warwick University, Coventry.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kelly, Robert T.
    Department of Physics, Warwick University, Coventry.
    Becker-Baldus, Johanna
    Department of Physics, Warwick University, Coventry.
    Brown, Steven P.
    Department of Physics, Warwick University, Coventry.
    Dupree, Ray
    Department of Physics, Warwick University, Coventry.
    Hydrogen bonding in Alzheimer’s amyloid-β fibrils probed by 15N{17O} REAPDOR solid-state NMR spectroscopy2012In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 51, no 41, p. 10289-10292Article in journal (Refereed)
    Abstract [en]

    An exclusive label: 15N{17O} REAPDOR NMR was used to validate intermolecular C17O⋅⋅⋅H15N hydrogen bonding in Ac-Aβ(16–22)-NH2 (see scheme) and Aβ(11–25) amyloid fibrils, which are associated with Alzheimer’s disease, by selectively labeling them with 17O and 15N. This method was effective for confirming the structure of these fibrils, and could be useful for a number of other biological samples.

  • 27.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Iuga, Dinu
    Department of Physics, Warwick University, Coventry.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kelly, Robert T.
    Department of Physics, Warwick University, Coventry.
    Becker-Baldus, Johanna
    Department of Physics, Warwick University, Coventry.
    Brown, Steven P.
    Department of Physics, Warwick University, Coventry.
    Dupree, Ray
    Department of Physics, Warwick University, Coventry.
    Hydrogen bonding in Alzheimer’s amyloid-β fibrils probed by 15N{17O} REAPDOR solid-state NMR spectroscopy2012In: Angewandte Chemie, ISSN 0044-8249, Vol. 124, no 41, p. 10435-10438Article in journal (Refereed)
    Abstract [en]

    Nach selektiver Markierung mit 17O und 15N wurden mithilfe von 15N{17O}-REAPDOR-NMR-Spektroskopie intermolekulare C17O⋅⋅⋅H15N-Wasserstoffbrücken in Ac-Aβ(16–22)-NH2- (siehe Schema) und Aβ(11–25)-Amyloidfibrillen untersucht, die mit der Alzheimer-Krankheit in Verbindung gebracht werden. Die Methode, die eine Bestätigung für die Struktur dieser Fibrillen lieferte, könnte auch im Zusammenhang mit anderen biologischen Proben nützlich sein.

  • 28.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kota, Hanumantha Rao
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Ikumapayi, Fatai
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Holmgren, Allan
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Gunneriusson, Lars
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Johansson, Björn
    New Boliden AB.
    Berggren, Andreas
    New Boliden AB.
    Larsson, Anna-Carin
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Öberg, Sven
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Mouzon, Johanne
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Bhuiyan, Iftekhar Uddin
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsmo, Seija
    LKAB.
    Interactions in multi-component mineral systems2011Conference paper (Other academic)
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    fulltext
  • 29.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kota, Hanumantha Rao
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Ikumapayi, Fatai
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Johansson, Björn
    New Boliden AB.
    Berggren, Andreas
    New Boliden AB.
    Larsson, Anna-Carin
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Holmgren, Allan
    Öberg, Sven
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Mouzon, Johanne
    Bhuiyan, Iftekhar Uddin
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsmo, Seija
    LKAB.
    Interactions in multi-component mineral systems2010Conference paper (Other academic)
    Download full text (pdf)
    FULLTEXT01
  • 30.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Leapman, Richard D.
    Division of Physical Science, Office of Research Services, National Institutes of Health, Bethesda.
    Balbach, John J.
    Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda.
    Tycko, Robert
    Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda.
    Supramolecular structural constraints on Alzheimer's β-amyloid fibrils from electron microscopy and solid-state nuclear magnetic resonance2002In: Biochemistry, ISSN 0006-2960, E-ISSN 1520-4995, Vol. 41, no 51, p. 15436-15450Article in journal (Refereed)
    Abstract [en]

    We describe electron microscopy (EM), scanning transmission electron microscopy (STEM), and solid-state nuclear magnetic resonance (NMR) measurements on amyloid fibrils formed by the 42-residue β-amyloid peptide associated with Alzheimer's disease (Aβ1-42) and by residues 10-35 of the full-length peptide (Aβ10-35). These measurements place constraints on the supramolecular structure of the amyloid fibrils, especially the type of β-sheets present in the characteristic amyloid cross-β structural motif and the assembly of these β-sheets into a fibril. EM images of negatively stained Aβ10-35 fibrils and measurements of fibril mass per length (MPL) by STEM show a strong dependence of fibril morphology and MPL on pH. Aβ10-35 fibrils formed at pH 3.7 are single "protofilaments" with MPL equal to twice the value expected for a single cross-β layer. Aβ10-35 fibrils formed at pH 7.4 are apparently pairs of protofilaments or higher order bundles. EM and STEM data for Aβ1-42 fibrils indicate that protofilaments with MPL equal to twice the value expected for a single cross-β layer are also formed by Aβ1-42 and that these protofilaments exist singly and in pairs at pH 7.4. Solid-state NMR measurements of intermolecular distances in Aβ10-35 fibrils, using multiple-quantum 13C NMR, 13C-13C dipolar recoupling, and 15N-13C dipolar recoupling techniques, support the in-register parallel β-sheet organization previously established by Lynn, Meredith, Botto, and co-workers [Benzinger et al. (1998) Proc. Natl. Acad. Sci. U.S.A. 95, 13407-13412; Benzinger et al. (2000) Biochemistry 39, 3491-3499] and show that this β-sheet organization is present at pH 3.7 as well as pH 7.4 despite the differences in fibril morphology and MPL. Solid-state NMR measurements of intermolecular distances in Aβ1-42 fibrils, which represent the first NMR data on Aβ1-42 fibrils, also indicate an in-register parallel β-sheet organization. These results, along with previously reported data on Aβ1-40 fibrils, suggest that the supramolecular structures of Aβ10-35, Aβ1-40, and Aβ1-42 fibrils are quite similar. A schematic structural model of these fibrils, consistent with known experimental EM, STEM, and solid-state NMR data, is presented.

  • 31.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Lee, Young K.
    Stockholm University.
    Levitt, Malcolm H.
    Stockholm University.
    13C and15N-chemical shift anisotropy of ampicillin and penicillin-V studied by 2D-PASS and CP/MAS NMR1998In: Journal of magnetic resonance, ISSN 1090-7807, E-ISSN 1096-0856, Vol. 135, no 1, p. 144-155Article in journal (Refereed)
    Abstract [en]

    The principal values of the chemical shift tensors of all13C and15N sites in two antibiotics, ampicillin and penicillin-V, were determined by 2-dimensionalphaseadjustedspinningsideband (2D-PASS) and conventional CP/MAS experiments. The13C and15N chemical shift anisotropies (CSA), and their confidence limits, were evaluated using a Mathematica program. The CSA values suggest a revised assignment of the 2-methyl13C sites in the case of ampicillin. We speculate on a relationship between the chemical shift principal values of many of the13C and15N sites and the β-lactam ring conformation

  • 32. Antzutkin, Oleg
    et al.
    Levitt, Malcolm H.
    Stockholm University.
    Centerband phase shift in the TOSS spectra of a magic-angle-spinning single crystal1996In: Journal of Magnetic Resonance - Series A, ISSN 1064-1858, E-ISSN 1096-0864, Vol. 118, no 2, p. 295-298Article in journal (Refereed)
  • 33.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Levitt, Malcolm H.
    Stockholm University.
    Coherence transfer signals in the rotational resonance NMR of a spinning single crystal2000In: Journal of magnetic resonance, ISSN 1090-7807, E-ISSN 1096-0856, Vol. 147, no 1, p. 147-151Article in journal (Refereed)
    Abstract [en]

    A recent analysis of rotational resonance lineshapes (M. Helmle et al., J. Magn. Reson. 140, 379-403, 1999) predicted the existence of coherence transfer signals, which are generated by mechanically induced coherence transfer during the detection process. These signals correspond to the generation of observable coherences at spin sites that have no magnetization at the beginning of the observation interval but which acquire coherence while the detection is underway. The coherence transfer signals disappear for powder samples in conventional magic-angle-spinning solid-state NMR experiments. In this Communication, we report the successful detection of coherence transfer signals in rotor-synchronized experiments performed on a single crystal of [1,2-13C2]glycine.

  • 34. Antzutkin, Oleg
    et al.
    Lindgren, M.
    Linköping University.
    Koptyug, A. V.
    Lund, A.
    Optically dectected ESR (OD-ESR) of iron-radical pairs in colored solutions: observation of transient trans-Azobenzene radical cation1993In: Applied Magnetic Resonance, ISSN 0937-9347, E-ISSN 1613-7507, Vol. 5, no 1, p. 77-86Article in journal (Refereed)
    Abstract [en]

    Trans-azobenzene dissolved in different liquid hydrocarbons absorbs fluorescence arising from all acceptors previously used in Fluorescence Detected Magnetic Resonance (FDMR) and Optically Detected ESR (OD ESR) spectroscopy making optical detection impossible. In this report a new acceptor, rubrene, having sufficient quantum yield of fluorescence in the red band 550-620 nm, has been proven successful. OD ESR spectra of the radical-ion pair trans-azobenzene+/rubrene- were detected in liquid squalane (2,6,10,15,19,23-hexamethyl-tetracosane) solution in the temperature range 294-243 K. The experimental isotropic hyperfine splittings of the radical cation of trans-azobenzene (a(N) = 1.4 mT) have been compared with those from MNDO/INDO calculations and with those of earlier work using freon matrix studies.

  • 35. Antzutkin, Oleg
    et al.
    Lindgren, M.
    Linköping University.
    Lund, A.
    Sjöqvist, L.
    Observation of Piperidine aggregation and of Hydrogen-proton transfer between Piperidine radical cations and Piperidine molecules in Freon matrice: an E.S.R. study at cryogenic temperaturs1992In: Journal of the Chemical Society. Chemical communications, ISSN 0022-4936, no 21, p. 1547-1550Article in journal (Refereed)
    Abstract [en]

    Piperidine forms small aggregates in most Freon matrices at cryogenic temperatures; upon X-irradiation, hydrogen-proton transfer between piperidine radical cations and piperidine molecules occurs.

  • 36.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Norlin, N.
    Hellberg, M.
    Eriksson, P.
    Almqvist, Nils
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Leapman, R.D.
    Tycko, R.
    Petkova, A.T.
    Toth, I.
    Howes, A.P.
    Dupree, R.
    Binding of Aluminium(III)-Citrate Complexes, [Al3(H-1Cit)3(OH)]-4 and [Al3(H-1Cit)3(OH)4]-7, to Alzheimer's A-beta(1-40) Peptides: In situ Atomic Force, Electron Microscopy and Solid State 13C and 27Al NMR Studies2005In: Sixth Keele Meeting on Aluminium: Aluminium Lithosphere to Biosphere (and Back), Centro de Estudos do Ambiente e Mar, Universidade de Aveiro , 2005, p. 16-Conference paper (Other academic)
    Abstract [en]

    It is believed that Alzheimer's disease (AD) amyloid-β-peptide (Aβ) deposits contribute directly to the disease's progressive neurodegeneration. Aggregation cascade for Aβ peptides, its relevance to neurotoxicity in the course of AD, various factors modulating Aβ aggregation kinetics and experimental methods useful for these studies were recently discussed [1]. Al(III), Zn(II), Cu(II) and Fe(III) ions are often colocalized at the center of the core of Alzheimer's amyloid plaques [2] and are suggested to promote aggregation of physiological concentrations of Aβ [3]. It has also been suggested that Al can block calcium permeable putative Aβ-peptide channels in bilayer membranes [4]. Therefore studies of complexation of metal ions with Aβ-oligomers and fibrils are important in the search for the causes of and potential treatments for AD.We studied effects of highly soluble and biologically relevant aluminium(III)-citrate compounds, [Al3(H-1Cit)3(OH)]-4 and [Al3(H-1Cit)3(OH)4]-7, on the fibrillogenesis of Aβ(1-40). All resonances in 156.37 MHz 27Al and 90.52 MHz 13C MAS NMR spectra of powder Al(III)-citrate complexes were assigned. 27Al MAS NMR of dialysed samples of Aβ(1-40) co-incubated with the Al(III)-citrate complexes at different concentrations in TRIS buffer solutions, pH 7.4, shows that Al(III)-citrates bind to Aβ(1-40) as [Al3(H-1Cit)3(OH)]-4 and either accelerate ([Al3(H-1Cit)3(OH)]-4 complex) or retard ([Al3(H-1Cit)3(OH)4]-7 compound) aggregation of Aβ(1-40) as revealed by AFM. [1] ON Antzutkin, Magn. Reson. Chem. 42 (2004) 231; [2] MA Lovell et al., J. Neurol. Sci. 158 (1998) 47; Ch Exley et al., Al and Alzheimer's disease, Ch Exley (Ed)1998) 47; Ch Exley , Ch Exley (Ed) Elsevier Science, 2001, 421; [3] PW Mantyh et al., J. Neurochem. 61 (1993) 1171; [4] N Arispe et al, PNAS 90 (1993) 567.

  • 37.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Geosciences and Environmental Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Glavatskikh, Sergei
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Högprestandasmörjmedel och tillsatser till smörjmedel för järnhaltiga och icke järnhaltiga material2011Patent (Other (popular science, discussion, etc.))
  • 38. Antzutkin, Oleg
    et al.
    Shekar, S.C.
    Stockholm University.
    Levitt, M.H.
    Stockholm University.
    2-dimensional side-band separation in magic-angle-spinning NMR1995In: Journal of Magnetic Resonance - Series A, ISSN 1064-1858, E-ISSN 1096-0864, Vol. 115, no 1, p. 7-19Article in journal (Refereed)
    Abstract [en]

    A new method for separating isotropic and anisotropic chemical-shift interactions in magic-angle-spinning NMR is presented. The new method is based upon manipulation of the phases of spinning sidebands using sequences of five π pulses. A two-dimensional pulse scheme separates the spinning sidebands by order. The amplitudes of the spinning sidebands may be analyzed to obtain the principal values of the chemical-shift anisotropy. For sites with many sidebands, it is possible to improve the signal-to-noise ratio considerably by skew projection of the two-dimensional spectrum. Experimental demonstrations are presented.

  • 39. Antzutkin, Oleg
    et al.
    Song, Zhiyang
    Stockholm University.
    Feng, Xiaolong
    Stockholm University.
    Levitt, Malcolm H.
    Stockholm University.
    Suppression of sidebands in magic-angle-spinning nuclear magnetic resonance: general principles and analytical solutions1994In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 100, no 1, p. 130-140Article in journal (Refereed)
    Abstract [en]

    Several theoretical and experimental aspects of sideband suppression in the nuclear magnetic resonance (NMR) spectra of rotating solids are considered. The principles of sideband suppression are explored using general symmetry arguments and previous treatments are examined critically. Analytical solutions are given for sideband suppression pulse sequences employing four, five, six, and nine pulses. The analytical solutions for four pulses are complete. Experimental demonstrations are given. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.

  • 40.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Tycko, Robert
    National Institutes of Health.
    High-order multiple quantum excitation in 13C nuclear magnetic resonance spectroscopy of organic solids1999In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 110, no 6, p. 2749-2752Article in journal (Refereed)
    Abstract [en]

    Excitation and detection of high-order multiple quantum (MQ) coherences among 13C nuclear spins in singly-13C-labeled organic solids is demonstrated experimentally. MQ signals involving at least ten quanta of spin angular momentum are observed in nuclear magnetic resonance (NMR) measurements on polycrystalline L-methionine-methyl-13C and L-alanine-1-13C, using a time-reversible multiple pulse excitation sequence modified specifically for experiments on systems with weak homonuclear dipole-dipole couplings and strong inhomogeneous interactions such as anisotropic chemical shifts. The feasibility of high-order MQ excitation and detection in 13C-labeled organic solids promises to expand significantly the range of applications of MQ NMR as a structural tool, to include such systems as 13C-labeled synthetic polymers and biopolymers.

  • 41.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Ullah Shah, Faiz
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Geosciences and Environmental Engineering.
    Glavatskikh, Sergei
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Ionic-liquid-based lubricants and lubrication additives comprising ions2012Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    Anti-wear and friction-reducing lubricants and additives to lubricants for both ferrous and non-ferrous materials with/without DLC (diamiond-like-coatings) or graphene-based coatings, which are halogen free boron based ionic liqs. comprising a combination of an anion chosen from a mandelato borate anion, a salicylato borate anion, an oxalato borate anion, a malonato borate anion, a succinato borate anion, a glutarato borate anion and an adipato borate anion, with at least one cation selected from a tetraalkylphosphonium cation, a choline cation, an imidazolium cation and a pyrrolidinium cation, wherein said at least one cation has at least one alkyl group substituent with the general formula CnH2n+1 , wherein 1≤n≤80. Advantages of the invention include that it provides halogen free ionic liqs. for lubrication and that sensitivity for hydrolysis is reduced.

  • 42.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Velaga, Sitaram
    Luleå University of Technology, Department of Health Sciences, Medical Science.
    Wong, Alan
    Physics Department, University of Warwick, Coventry, UK CV4 7AL.
    Dupree, Ray
    Physics Department, University of Warwick, Coventry, UK CV4 7AL.
    Solid-state 17O, 13C and 15N NMR: from tackling structure of Alzheimer's Aβ fibrils to studies on anti-inflammatory drugs, Indomethacin-saccharin cocrystal2007Conference paper (Other academic)
  • 43.
    Appelblad, Petra
    et al.
    Luleå University of Technology.
    Baxter, Douglas
    Model for calculating dead time and mass discrimination correction factors from inductively coupled plasma mass spectrometry calibration curves2000In: Journal of Analytical Atomic Spectrometry, ISSN 0267-9477, E-ISSN 1364-5544, Vol. 15, no 5, p. 557-560Article in journal (Refereed)
    Abstract [en]

    A model allowing simultaneous determination of the detector dead time and the mass discrimination factor in inductively coupled plasma mass spectrometry (ICP-MS), as well as the corresponding uncertainties, is presented and compared for three representative isotope systems, namely magnesium, indium and thallium. The advantages of using the model presented are firstly that both the detector dead time and the mass discrimination factor can be obtained simultaneously and secondly that the sampling time can be spent entirely on the isotopes of interest.

  • 44.
    Appelblad, Petra K.
    Luleå University of Technology.
    Inductively coupled plasma mass spectrometry: fundamental studies2000Licentiate thesis, comprehensive summary (Other academic)
    Abstract [en]

    Inductively coupled plasma mass spectrometry (ICP-MS) is in focus in this thesis. Fundamental studies of ICP double focusing magnetic sector MS are presented, and some possible applications are discussed. One of the recent innovations for increasing the sensitivity of ICP-MS is to use a Pt-shield inserted between the coil and the torch, which can be grounded. It is known that use of a shielded torch results in gain in sensitivity as well attenuation of the secondary discharge, but other physical parameters change as well. Thereby a thorough study of a torch with a Pt guard electrode has been performed in order to address these questions. Matrix effects from seawater samples are described. Isotope ratio measurements can be performed using ICP-MS. The raw data collected needs to be mathematically corrected for mass discrimination factors as well as detector dead time. A model is presented herein with which both these factors can be determined from calibration curves.

  • 45.
    Appelblad, Petra K.
    et al.
    Luleå University of Technology.
    Baxter, Douglas
    Thunberg, JO
    Determination of metal-humic complexes, free metal ions and total concentrations in natural waters1999In: Journal of Environmental Monitoring, ISSN 1464-0325, E-ISSN 1464-0333, Vol. 1, no 3, p. 211-217Article in journal (Refereed)
    Abstract [en]

    A comparison of two systems for the quantitation of metal-humic complexes and free metal ions, consisting of the separation by coupled ion exchange columns followed by detection by inductively coupled plasma mass spectrometry or cold vapour atomic fluorescence spectrometry, is presented. The systems evaluated comprised the serially coupled anion and cation exchangers, Sephadex A-25/Chelex 100 and Dowex 1X8/Chelamine Metalfix. Separation and preconcentration of the species studied were accomplished with both systems, elution being carried out using 2 M HNO3. Total concentrations, metal-humic complex fractions and free metal ion fractions of Al, Ba, Cd, Co, Cu, Fe, Hg, Mn, Pb, Sr, U and Zn in nine natural waters were determined. Statistical evaluation of the data from the two cation exchange materials, including results for additional elements, showed better precision (for Al, Ba, Cr, Cu and Mo) and higher recoveries (Al, Ba, Cd, Fe, Sr and Zn) for Chelex 100 than Chelamine Metalfix for free metal ions. On the other hand, Chelamine Metalfix recovered a significantly greater amount of Ni. The amounts of metal-humic complexes were compared with modelled distributions of these species, and one advantage of the preferred Sephadex A-25/Chelex 100 system is that the elements studied are all correctly classified with respect to their binding strengths to humic substances, which is not the case with the Dowex 1X8/Chelamine Metalfix pair. With the preferred system, metal-humic complexes can be reliably determined, as indicated by the results of equilibrium speciation modelling. However, comparison with the total concentrations showed statistically significant, non-quantitative recoveries of Al, Cu, Hg, Mn, U and Zn from some samples. Thus a combination of speciation and total concentration measurements is required to obtain a complete representation of the distribution of trace elements in natural waters.

  • 46. Appelblad, P.K.
    et al.
    Rodushkin, Ilia
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Geosciences and Environmental Engineering.
    Baxter, Douglas
    Sources of uncertainty in isotope ratio measurements by inductively coupled plasma mass spectrometry2001In: Analytical Chemistry, ISSN 0003-2700, E-ISSN 1520-6882, Vol. 73, no 13, p. 2911-2919Article in journal (Refereed)
    Abstract [en]

    A model is presented describing the effects of dead time and mass bias correction factor uncertainties, flicker noise, and counting statistics on isotope ratio measurement precision using inductively coupled plasma mass spectrometry (ICPMS) with a single collector. Noise spectral analysis is exploited to enable estimation of the flicker noise parameters. For the instrument used, the flicker noise component exhibited a fairly weak frequency (f) dependence ( f -0.33±0.12), but was directly proportional to the total number of counts, Q. As white noise, determined by counting statistics, is given by Q0.5, the isotope ratio measurement uncertainties will actually cease to improve when Q exceeds a certain threshold. This would suggest that flicker noise could become the limiting factor for the precision with which isotope ratios can be determined by ICPMS. However, under most experimental conditions, uncertainties associated with mass discrimination and dead time correction factors are decisive. For ratios up to ~22 (115In/113In), optimum major isotope count rates are generally below 0.3 MHz, for which precision in the mass discrimination factor is limiting. The model derived could be used as a starting point for determining optimum conditions and understanding the limitations of single-collector ICPMS for precise isotope ratio measurements.

  • 47.
    Arkhipov, Victor P.
    et al.
    Kazan National Research Technological University, 420015 Kazan, Russia.
    Arkhipov, Ruslan
    Kazan Federal University, 420008 Kazan, Russia.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Medical and Biological Physics, Kazan State Medical University, 420012 Kazan, Russia.
    Micelles of Oxyethylated Isononylphenols in Aqueous Solutions and Hydrophilic–Lipophilic Balance2020In: ACS Omega, E-ISSN 2470-1343, Vol. 5, no 43, p. 28224-28232Article in journal (Refereed)
    Abstract [en]

    We have measured the self-diffusion coefficients and calculated the effective hydrodynamic radii of micelles of ethoxylated isononylphenols in aqueous solutions in the presence of sodium chloride, as well as in their binary mutual mixtures, when approaching cloudy conditions. These cloudy conditions were created by an increase in temperature, a change in the concentration of an electrolyte in the solution, or a mutual ratio of neonols in their binary mixtures. The results are discussed within the concept of the hydrophilic–lipophilic balance.

  • 48.
    Arkhipov, Victor P.
    et al.
    Department of Physics, Kazan National Research Technological University, Kazan 420015, Russian Federation.
    Arkhipov, Ruslan
    Institute of Physics, Kazan Federal University, Kazan 420008, Russian Federation.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Rhamnolipid Biosurfactant: Use for the Removal of Phenol from Aqueous Solutions by Micellar Solubilization2023In: ACS Omega, E-ISSN 2470-1343, Vol. 8, no 33, p. 30646-30654Article in journal (Refereed)
    Abstract [en]

    Selective measurements of the self-diffusion coefficients of molecules of the biological surfactant rhamnolipid (RL) in individual aqueous solutions and in solutions with phenol as a solubilizate were carried out by nuclear magnetic resonance (NMR) diffusometry. Based on the obtained results, the solubilization characteristics of RLs were calculated. They are the fraction of solubilized phenol molecules, the phenol micelle-water distribution coefficient, the molar solubilization coefficient, the hydrodynamic radii of RL monomers and micelles, the aggregation numbers of micelles, and the solubilization capacity of micelles. Fraction of the solubilized phenol molecules increases and approaches 80-90% with increasing RL concentration. The solubilization capacity of the micelles increases from several units to 102 with an increase in both the concentration of RLs and the concentration of phenol in solution.

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  • 49.
    Arkhipov, Victor P.
    et al.
    Department of Physics, Kazan National Research Technological University, Kazan, Russian Federation.
    Arkhipov, Ruslan V.
    Institute of Physics, Kazan Federal University, Kazan, Russian Federation.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Institute of Physics, Kazan Federal University, Kazan, Russian Federation.
    Dynamic and molecular association in premicellar aqueous solutions of dicarboxylate amino acid-based surfactant as studied by 1H NMR2022In: Magnetic Resonance in Chemistry, ISSN 0749-1581, E-ISSN 1097-458X, Vol. 60, no 3, p. 359-368Article in journal (Refereed)
    Abstract [en]

    We examined a series of amino acid-based surfactants with two carboxylic groups separated by a spacer of one, two, or three carbon atoms with sodium and calcium counterions in the premicellar concentration region near the CMC. 1H NMR spectroscopy and NMR diffusometry techniques were used to study the local environment, association and translational dynamics of the surfactant’s molecules. We measured the self-diffusion coefficients of the micelles, calculated the effective hydrodynamic radii, and determined the temperature region in which the premicelles exist. With an increase in temperature from 295 to 335 K, the premicellar state of the surfactant is replaced by the monomeric state.  

  • 50.
    Arkhipov, Victor P.
    et al.
    Department of Physics, Kazan National Research Technological University, Kazan, Russian Federation.
    Arkhipov, Ruslan V.
    Institute of Physics, Kazan Federal University, Kazan, Russian Federation.
    Kuzina, Natalia A.
    Department of Physics, Kazan National Research Technological University, Kazan, Russian Federation.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, Kazan, Russian Federation.
    Oxyethylated Isononylphenols in Carbon Tetrachloride2019In: Applied Magnetic Resonance, ISSN 0937-9347, E-ISSN 1613-7507, Vol. 50, no 12, p. 1381-1389Article in journal (Refereed)
    Abstract [en]

    Translational diffusion coefficients of ethoxylated isononylphenol molecules C9H19C6H4O(C2H4O)nH in carbon tetrachloride were measured by nuclear magnetic resonance diffusometry. The hydrodynamic radii of the molecules were determined within the framework of the Stokes–Einstein relation. We showed that ethoxylated isononylphenols in carbon tetrachloride do not form micelles, and the dependence of the diffusion coefficients and, accordingly, the hydrodynamic radii of the nonionic surfactants on the number of oxyethylene groups have a kink in the region n = 6–8.

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