Publications 2018


Alvares Ferreira, E.; Yokaichiya, F.; Marumo, J.; Vicente, R.; Garcia-Moreno, F.; Kamm, P.; Klaus, M.; Russina, M.; Günther, G.; Jimenez, C.; Franco, M.: Influence of the irradiation in cement for the Brazilian radioactive waste repositories: Characterization via X-ray diffraction, X-ray tomography and quasielastic neutron scattering. Physica B 551 (2018), p. 256-261
doi:10.1016/j.physb.2018.01.018


Angioletti-Uberti, S.; Ballauff, M.; Dzubiella, J.: Competitive adsorption of multiple proteins to nanoparticles: the Vroman effect revisited. Molecular Physics 116 (2018), p. 3154-3163
doi:10.1080/00268976.2018.1467056
Open Access Version (external provider)


Apostolides, D.E.; Patrickios, C.S.; Sakai, T.; Guerre, M.; Lopez, G.; Améduri, B.; Ladmiral, V.; Simon, M.; Gradzielski, M.; Clemens, D.; Krumm, C.; Tiller, J.C.; Ernould, B.; Gohy, J.-F.: Near-model Amphiphilic Polymer Conetworks Based on Four-arm Stars of Poly(vinylidene fluoride) and Poly(ethylene glycol): Synthesis and Characterization. Macromolecules 51 (2018), p. 2476-2488
doi:10.1021/acs.macromol.7b02475


Babcock, E.; Salhi, Z.; Gainov, R.; Woracek, R.; Soltner, H.; Pistel, P.; Beule, F.; Bussmann, K.; Heynen, A.; Kämmerling, H.; Suxdorf, F.; Strobl, M.; Russina, M.; Voigt, J.; Ioffe, A.: Towards wide-angle neutron polarization analysis with a 3He spin filter for TOPAS and NEAT: Testing magic PASTIS on V20 at HZB. AIP Conference Proceedings 1969 (2018), p. 050005/1-7
doi:10.1063/1.5039302


Boyaciyan, D.; Braun, L.; Löhmann, O.; Silvi, L.; Schneck, E.; Von Klitzing, R.: Gold nanoparticle distribution in polyelectrolyte brushes loaded at different pH conditions. The Journal of Chemical Physics 149 (2018), p. 163322
doi:10.1063/1.5035554


Chen, D.; Xie, D.; Li, G.; Zhang, D.; Fan, J.; Li, B.; Feng, T.; Li, L.: Simply Constructing Li1.2Mn0.6Ni0.2O2/C Composites for Superior Electrochemical Performance and Thermal Stability in Li-Ion Battery. ChemistrySelect 3 (2018), p. 13647-13653
doi:10.1002/slct.201803236


Chrabaszczewska, M.; Maszota-Zieleniak, M.; Pietralik, Z.; Taube, M.; Rodziewicz-Motowidlo, S.; Szymanska, A.; Szutkowski, K.; Clemens, D.; Grubb, A.; Kozak, M.: Cyclic trimer of human cystatin C, an amyloidogenic protein - Molecular dynamics and experimental studies. Journal of Applied Physics 123 (2018), p. 174701/1-
doi:10.1063/1.5023807


Cong, W.; Gao, W.; Garvey, C.J.; Dumée, L.F.; Zhang, J.; Kent, B.; Wang, G.; She, F.; Kong, L.: In Situ SAXS Measurement and Molecular Dynamics Simulation of Magnetic Alignment of Hexagonal LLC Nanostructures. Membranes 8 (2018), p. 123/1-12
doi:10.3390/membranes8040123
Open Access Version


Frueh, J.; Rühm, A.; He, Q.; Möhwald, H.; Krastev, R.; Köhler, R.: Elastic to Plastic Deformation in Uniaxially Stressed Polylelectrolyte Multilayer Films. Langmuir 34 (2018), p. 11933-11942
doi:10.1021/acs.langmuir.8b01296


Goerigk, G.J.: The Significance of Solutions Obtained from Ill-Posed Systems of Linear Equations Constituted by Synchrotron Radiation Based Anomalous Small-Angle X-Ray Scattering. Advances in Linear Algebra & Matrix Theory 8 (2018), p. 83314/64-86
doi:10.4236/alamt.2018.81007
Open Access Version


González, M.A.; Aoun, B.; Price, D.L.; Izaola, Z.; Russina, M.; Ollivier, J.; Saboungi, M.: Molecular Dynamics in 1-Alkyl-3-Methylimidazolium Bromide Ionic Liquids: A Reanalysis of Quasielastic Neutron Scattering Results. AIP Conference Proceedings 1969 (2018), p. 020002/1-15
doi:10.1063/1.5039291


Hoffmann, I.; Hoffmann, C.; Farago, B.; Prevost, S.; Gradzielski, M.: Dynamics of small unilamellar vesicles. The Journal of Chemical Physics 148 (2018), p. 104901/1-8
doi:10.1063/1.5009424
Open Access Version (external provider)


Härk, E.; Jäger, R.; Kasatkin, P.; Möller, P.; Kanarbik, R.; Tallo, I.; Joost, U.; Aruväli, J.; Paiste, P.; Jiang, H.; Kallio, T.; Kirsimäe, K.; Lust, E.: The electrochemical activity of two binary alloy catalysts toward oxygen reduction reaction in 0.1 M KOH. Journal of Solid State Electrochemistry 22 (2018), p. 31-40
doi:10.1007/s10008-017-3720-2


Jerliu, B.; Hüger, E.; Dörrer, L.; Seidlhofer, B.-K.; Steitz, R.; Horisberger, M.; Schmidt, H.: Lithium insertion into silicon electrodes studied by cyclic voltammetry and operando neutron reflectometry. Physical Chemistry Chemical Physics 20 (2018), p. 23480-23491
doi:10.1039/C8CP03540G
Open Access Version


Jia, H.; Gao, H.; Mei, S.; Kneer, J.; Lin, X.; Ran, Q.; Wang, F.; Palzer, S.; Lu, Y.: Cu2O@PNIPAM core-shell microgels as novel inkjet materials for the preparation of CuO hollow porous nanocubes gas sensing layers. Journal of Materials Chemistry C 6 (2018)
doi:10.1039/c8tc01995a
Open Access Version


Jäger, R.; Kasatkin, P.; Härk, E.; Teppor, P.; Romann, T.; Härmas, R.; Tallo, I.; Mäeorg, U.; Joost, U.; Paiste, P.; Kirsimäe, K.; Lust, E.: The effect of N precursors in Fe-N/C type catalysts based on activated silicon carbide derived carbon for oxygen reduction activity at various pH values. Journal of Electroanalytical Chemistry 823 (2018), p. 593-600
doi:10.1016/j.jelechem.2018.06.040
Open Access Version


Kutzschbach, M.; Guttmann, P.; Marquardt, K.; Werner, S.; Henzler, K. D.; Wilke, M.: A transmission x-ray microscopy and NEXAFS approach for studying corroded silicate glasses at the nanometre scale. Physics and Chemistry of Glasses - European Journal of Glass Science and Technology Part B 59 (2018), p. 11-26
doi:10.13036/17533562.59.1.043
Open Access Version


Lo Celso, F.; Yoshida, Y.; Lombardo, R.; Jafta, C.; Gontrani, L.; Triolo, A.; Russina, O.: Mesoscopic structural organization in fluorinated room temperature ionic liquids. Comptes Rendus Chimie 21 (2018), p. 757-770
doi:10.1016/j.crci.2018.02.001


Lu, Z.; Ge, L.; Wang, G.; Russina, M.; Günther, G.; Dela Cruz, C.; Sinclair, R.; Zhou, H.; Ma, J.: Lattice distortion effects on the frustrated spin-1 triangular-antiferromagnet A(3)NiNb(2)O(9) (A = Ba, Sr, and Ca). Physical Review B 98 (2018), p. 094412/1-10
doi:10.1103/PhysRevB.98.094412


Magi, A.; Harmat, P.; Russina, M.; Günther, G.; Mezei, F.: Ready to Use Detector Modules for the NEAT Spectrometer: Concept, Design, First Results. AIP Conference Proceedings 1969 (2018), p. 040001/1
doi:10.1063/1.5039297
Open Access Version


Nikam, R.; Xu, X.; Ballauff, M.; Kanduc, M.; Dzubiella, J.: Charge and hydration structure of dendritic polyelectrolytes: molecular simulations of polyglycerol sulphate. Soft Matter 14 (2018), p. 4300-4310
doi:10.1039/c8sm00714d
Open Access Version


Papagiannopoulos, A.; Zhao, J.; Zhang, G.; Pispas, S.; Jafta, C.J.: Viscosity Transitions Driven by Thermoresponsive Self-Assembly in PHOS-g-P(PO-r-EO) Brush Copolymer. Macromolecules 51 (2018), p. 1644-1653
doi:10.1021/acs.macromol.7b02711


Park, C.; Kanduc, M.; Chudoba, R.; Ronneburg, A.; Risse, S.; Ballauff, M.; Dzubiella, J.: Molecular simulations of electrolyte structure and dynamics in lithium-sulfur battery solvents. Journal of Power Sources 373 (2018), p. 70-78
doi:10.1016/j.jpowsour.2017.10.081
Open Access Version (external provider)


Petersen, B.; Roa, R.; Dzubiella, J.; Kanduc, M.: Ionic structure around polarizable metal nanoparticles in aqueous electrolytes. Soft Matter 14 (2018), p. 4053-4063
doi:10.1039/c8sm00399h
Open Access Version


Qi, W.; Zhang, Y.; Kochovski, Z.; Wang, J.; Lu, Y.; Chen, G.; Jiang, M.: Self-assembly of Human Galectin-1 via dual supramolecular interactions and its inhibition of T-cell agglutination and apoptosis. Nano Research 11 (2018), p. 5566-5572
doi:10.1007/s12274-018-2169-7


Qi, W.; Zhang, Y.; Wang, J.; Tao, G.; Wu, L.; Kochovski, Z.; Gao, H.; Chen, G.; Jiang, M.: Deprotection-Induced Morphology Transition and Immunoactivation of Glycovesicles: A Strategy of Smart Delivery Polymersomes. Journal of the American Chemical Society 140 (2018), p. 8851-8857
doi:10.1021/jacs.8b04731


Ran, Q.; Xu, X.; Dey, P.; Yu, S.; Lu, Y.; Dzubiella, J.; Haag, R.; Ballauff, M.: Interaction of human serum albumin with dendritic polyglycerol sulfate: Rationalizing the thermodynamics of binding. The Journal of Chemical Physics 149 (2018), p. 163324/1-10
doi:10.1063/1.5030601


Ran, Q.; Xu, X.; Dzubiella, J.; Haag, R.; Ballauff, M.: Thermodynamics of the Binding of Lysozyme to a Dendritic Polyelectrolyte: Electrostatics Versus Hydration. ACS Omega 3 (2018), p. 9086-9095
doi:10.1021/acsomega.8b01493
Open Access Version


Ricci, C.; Li, B.; Cheng, L.; Dzubiella, J.; McCammon, J.: Tailoring the variational implicit solvent method for New challenges: Biomolecular recognition and assembly. Frontiers in Molecular Biosciences 5 (2018), p. 13/1-10
doi:10.3389/fmolb.2018.00013
Open Access Version


Roa, R.; Angioletti-Uberti, S.; Lu, Y.; Dzubiella, J.; Piazza, F.; Ballauff, M.: Catalysis by Metallic Nanoparticles in Solution: Thermosensitive Microgels as Nanoreactors. Zeitschrift für Physikalische Chemie 232 (2018), p. 773-803
doi:10.1515/zpch-2017-1078
Open Access Version


Roa, R.; Siegl, T.; Kim, W.; Dzubiella, J.: Product interactions and feedback in diffusion-controlled reactions. The Journal of Chemical Physics 148 (2018), p. 064705/1-6
doi:10.1063/1.5016608
Open Access Version


Rondelli, V.; Del Favero, E.; Brocca, P.; Fragneto, G.; Trapp, M.; Mauri, L.; Ciampa, M.; Romani, G.; Braun, C.; Winterstein, L.; Schroeder, I.; Thiel, G.; Moroni, A.; Cantu, L.: Directional K+ channel insertion in a single phospholipid bilayer: Neutron reflectometry and electrophysiology in the joint exploration of a model membrane functional platform. Biochimica et Biophysica Acta - General Subjects 1862 (2018), p. 1742-1750
doi:10.1016/j.bbagen.2018.05.007


Russina, M.; Guenther, G.; Grzimek, V.; Gainov, R.; Schlegel, M.; Drescher, L.; Kaulich, T.; Graf, W.; Urban, B.; Daske, A.; Grotjahn, K.; Hellhammer, R.; Buchert, G.; Kutz, H.; Rossa, L.; Sauer, O.-P.; Fromme, M.; Wallacher, D.; Kiefer, K.; Klemke, B.; Grimm, N.; Gerischer, S.; Tsapatsaris, N.; Rolfs, K.: Upgrade project NEAT'2016 at Helmholtz Zentrum Berlin - What can be done on the medium power neutron source. Physica B 551 (2018), p. 506-511
doi:10.1016/j.physb.2017.12.026


Sandzhieva, A.V.; Sybachin, A.V.; Zaborova, O.V.; Ballauff, M.; Yaroslavov, A.A.: Cationic colloid-anionic liposome-protein ternary complex: formation, properties, and biomedical importance. Mendeleev Communications 28 (2018), p. 326-328
doi:10.1016/j.mencom.2018.05.033


Schmitt, T.; Lange, S.; Dobner, B.; Sonnenberger, S.; Hauß, T.; Neubert, R.H.H.: Investigation of a CER[NP]- and [AP]-Based Stratum Corneum Modeling Membrane System: Using Specifically Deuterated CER Together with a Neutron Diffraction Approach. Langmuir 34 (2018), p. 1742-1749
doi:10.1021/acs.langmuir.7b01848


Scholz, J.; Kayaalp, B.; Juhl, A.C.; Clemens, D.; Froeba, M.; Mascotto, S.: Severe Loss of Confined Sulfur in Nanoporous. Carbon for Li-S Batteries under Wetting Conditions. ACS Energy Letters 3 (2018), p. 387-392
doi:10.1021/acsenergylett.7b01238


Schwörer, F.; Trapp, M.; Xu, X.; Soltwedel, O.; Dzubiella, J.; Steitz, R.; Dahint, R.: Drastic Swelling of Lipid Oligobilayers by Polyelectrolytes: A Potential Molecular Model for the Internal Structure of Lubricating Films in Mammalian Joints. Langmuir 34 (2018), p. 1287-1299
doi:10.1021/acs.langmuir.7b03229


Sun, F.; Dong, K.; Osenberg, M.; Hilger, A.; Risse, S.; Lu, Y.; Kamm, P.H.; Klaus, E.; Markötter, H.; Garcia-Moreno, F.; Arlt, T.; Manke, I.: Visualizing the morphological and compositional evolution of the interface of InLi-anode|thio-LISION electrolyte in an all-solid-state Li–S cell by in operando synchrotron X-ray tomography and energy dispersive diffraction. Journal of Materials Chemistry A 6 (2018), p. 22489-22496
doi:10.1039/c8ta08821g
Open Access Version


Sun, F.; Osenberg, M.; Dong, K.; Zhou, D.; Hilger, A.; Jafta, C.J.; Risse, S.; Lu, Y.; Markötter, H.; Manke, I.: Correlating Morphological Evolution of Li Electrodes with Degrading Electrochemical Performance of Li/LiCoO2 and Li/S Battery Systems: Investigated by Synchrotron X-ray Phase Contrast Tomography. ACS Energy Letters 3 (2018), p. 356-365
doi:10.1021/acsenergylett.7b01254


Teppor, P.; Jaeger, R.; Haerk, E.; Tallo, I.; Joost, U.; Kook, M.; Paiste, P.; Smits, K.; Kirsimaee, K.; Lust, E.: ORR Activity and Stability of Co-N/C Catalysts Based on Silicon Carbide Derived Carbon and the Impact of Loading in Acidic Media. Journal of The Electrochemical Society 165 (2018), p. F1217-F1223
doi:10.1149/2.0961814jes


Teppor, P.; Jäger, R.; Härk, E.; Joost, U.; Tallo, I.; Paiste, P.; Kirsimäe, K.; Lust, E.: Oxygen reduction reaction on nitrogen and cobalt modified silicon carbide derived carbon in acidic media. ECS Transactions 85 (2018), p. 1475-1480
doi:10.1149/08513.0855ecst


Weiß, R.G.; Chudoba, R.; Setny, P.; Dzubiella, J.: Affinity, kinetics, and pathways of anisotropic ligands binding to hydrophobic model pockets. The Journal of Chemical Physics 149 (2018), p. 094902/1-10
doi:10.1063/1.5025118
Open Access Version


Xu, X.; Ran, Q.; Dey, P.; Nikam, R.; Haag, R.; Ballauff, M.; Dzubiella, J.: Counterion-Release Entropy Governs the Inhibition of Serum Proteins by Polyelectrolyte Drugs. Biomacromolecules 19 (2018), p. 409-416
doi:10.1021/acs.biomac.7b01499
Open Access Version


Yang, G.; Hu, R.; Ding, H.; Kochovski, Z.; Mei, S.; Lu, Y.; Ma, Y.; Chen, G.; Jiang, M.: CO2-switchable response of protein microtubules: behaviour and mechanism. Materials Chemistry Frontiers 2 (2018), p. 1642-1646
doi:10.1039/C8QM00245B


Yokaichiya, F.; Schmidt, C.; Storsberg, J.; Kumpugdee Vollrath, M.; Ribeiro de Araujo, D.; Kent, B.; Clemens, D.; Wingert, F.; Franco, M.K.K.D.: Effects of doxorubicin on the structural and morphological characterization of solid lipid nanoparticles (SLN) using small angle neutron scattering (SANS) and small angle X-ray scattering (SAXS). Physica B 551 (2018), p. 191-196
doi:10.1016/j.physb.2017.12.036


Yu, S.; Kent, B.; Jafta, C.; Petzold, A.; Radulescu, A.; Schuchardt, M.; Tölle, M.; van der Giet, M.; Zidek, W.; Ballauff, M.: Stability of human serum albumin structure upon toxin uptake explored by small angle neutron scattering. Polymer 141 (2018), p. 175-183
doi:10.1016/j.polymer.2018.02.060


Zivanovic, V.; Kochovski, Z.; Arenz, C.; Lu, Y.; Kneipp, J.: SERS and Cryo-EM Directly Reveal Different Liposome Structures during Interaction with Gold Nanoparticles. Journal of Physical Chemistry Letters 9 (2018), p. 6767-6772
doi:10.1021/acs.jpclett.8b03191