@article{AlNajiSchlaadAntonietti2020,
  author    = {Al-Naji, Majd and Schlaad, Helmut and Antonietti, Markus},
  title     = {New (and old) monomers from biorefineries to make polymer chemistry more sustainable},
  series = {Macromolecular rapid communications},
  volume    = {42},
  journal   = {Macromolecular rapid communications},
  number    = {3},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1022-1336},
  doi       = {10.1002/marc.202000485},
  pages     = {11},
  year      = {2020},
  abstract  = {This opinion article describes recent approaches to use the "biorefinery" concept to lower the carbon footprint of typical mass polymers, by replacing parts of the fossil monomers with similar or even the same monomer made from regrowing dendritic biomass. Herein, the new and green catalytic synthetic routes are for lactic acid (LA), isosorbide (IS), 2,5-furandicarboxylic acid (FDCA), and p-xylene (pXL). Furthermore, the synthesis of two unconventional lignocellulosic biomass derivable monomers, i.e., alpha-methylene-gamma-valerolactone (MeGVL) and levoglucosenol (LG), are presented. All those have the potential to enter in a cost-effective way, also the mass market and thereby recover lost areas for polymer materials. The differences of catalytic unit operations of the biorefinery are also discussed and the challenges that must be addressed along the synthesis path of each monomers.},
  language  = {en}
}
@article{AlarconAldereteAguilaetal.2005,
  author    = {Alarcon, Julio and Alderete, Joel B. and Aguila, Sergio and Peter, Martin G.},
  title     = {Regio and stereoselective hydroxylation of alpha-agarofuran by biotransformation of rhizopus nigricans},
  year      = {2005},
  abstract  = {A new synthesis of 9 alpha-hydroxy-alpha-agarofuran (6 alpha) is described, using a microbiological hydroxylation alpha-agarofuran (5) as the key reaction. The stereochemistry of the biohydroxylation was determined on the basis of a NOESY-experiment and GIAO calculations at the B3LYP/cc-pVDZ level. A strong gamma-effect was observed at C15 of the agarofuran ring which was correctly predicted by the GIAO-B3LYP calculations},
  language  = {en}
}
@article{AlarconAlderetePeteretal.1998,
  author    = {Alarcon, Julio and Alderete, Joel B. and Peter, Martin G. and Becerra, Juan J. and Silva, M.},
  title     = {Study on synthesis of 3 alpha,4 alpha-dihydroxy-dihydro-beta-agarofuran},
  year      = {1998},
  language  = {en}
}
@article{AliHomannKhaliletal.2013,
  author    = {Ali, Mostafa and Homann, Thomas and Khalil, Mahmoud and Kruse, Hans-Peter and Rawel, Harshadrai Manilal},
  title     = {Milk whey protein modification by coffee-specific phenolics effect on structural and functional properties},
  series = {Journal of agricultural and food chemistry : a publication of the American Chemical Society},
  volume    = {61},
  journal   = {Journal of agricultural and food chemistry : a publication of the American Chemical Society},
  number    = {28},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0021-8561},
  doi       = {10.1021/jf402221m},
  pages     = {6911 -- 6920},
  year      = {2013},
  abstract  = {A suitable vehicle for integration of bioactive plant constituents is proposed. It involves modification of proteins using phenolics and applying these for protection of labile constituents. It dissects the noncovalent and covalent interactions of beta-lactoglobulin with coffee-specific phenolics. Alkaline and polyphenol oxidase modulated covalent reactions were compared. Tryptic digestion combined with MALDI-TOF-MS provided tentative allocation of the modification type and site in the protein, and an in silico modeling of modified beta-lactoglobulin is proposed. The modification delivers proteins with enhanced antioxidative properties. Changed structural properties and differences in solubility, surface hydrophobicity, and emulsification were observed. The polyphenol oxidase modulated reaction provides a modified beta-lactoglobulin with a high antioxidative power, is thermally more stable, requires less energy to unfold, and, when emulsified with lutein esters, exhibits their higher stability against UV light. Thus, adaptation of this modification provides an innovative approach for functionalizing proteins and their uses in the food industry.},
  language  = {en}
}
@article{AliHomannKreiseletal.2012,
  author    = {Ali, Mostafa and Homann, Thomas and Kreisel, Janka and Khalil, Mahmoud and Puhlmann, Ralf and Kruse, Hans-Peter and Rawel, Harshadrai Manilal},
  title     = {Characterization and modeling of the interactions between coffee storage proteins and phenolic compounds},
  series = {Journal of agricultural and food chemistry : a publication of the American Chemical Society},
  volume    = {60},
  journal   = {Journal of agricultural and food chemistry : a publication of the American Chemical Society},
  number    = {46},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0021-8561},
  doi       = {10.1021/jf303372a},
  pages     = {11601 -- 11608},
  year      = {2012},
  abstract  = {This study addresses the interactions of coffee storage proteins with coffee-specific phenolic compounds. Protein profiles, of Coffea arabica and Coffea canephora (var robusta) were compared. Major Phenolic compounds were extracted and analyzed with appropriate methods. The polyphenol-protein interactions during protein extraction have been addressed by different analytical setups [reversed-phase high-performance liquid chromatography (RP-HPLC), sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE), matrix-assisted laser desorption ionization-time of flight-mass spectrometry (MALDI-TOF-MS), and Trolox equivalent antioxidant capacity (TEAC) assays], with focus directed toward identification of covalent adduct formation. The results indicate that C. arabica proteins are more susceptible to these interactions and the polyphenol oxidase activity seems to be a crucial factor for the formation of these addition products. A tentative allocation of the modification type and site in the protein has been attempted. Thus, the first available in silico modeling of modified coffee proteins is reported. The extent of these modifications may contribute to the structure and function of "coffee melanoidins" and are discussed in the context of coffee flavor formation.},
  language  = {en}
}
@article{AloniPerovicWeitmanetal.2019,
  author    = {Aloni, Sapir Shekef and Perovic, Milena and Weitman, Michal and Cohen, Reut and Oschatz, Martin and Mastai, Yitzhak},
  title     = {Amino acid-based ionic liquids as precursors for the synthesis of chiral nanoporous carbons},
  series = {Nanoscale Advances},
  volume    = {1},
  journal   = {Nanoscale Advances},
  number    = {12},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {2516-0230},
  doi       = {10.1039/c9na00520j},
  pages     = {4981 -- 4988},
  year      = {2019},
  abstract  = {The synthesis of chiral nanoporous carbons based on chiral ionic liquids (CILs) of amino acids as precursors is described. Such unique precursors for the carbonization of CILs yield chiral carbonaceous materials with high surface area (approximate to 620 m(2) g(-1)). The enantioselectivities of the porous carbons are examined by advanced techniques such as selective adsorption of enantiomers using cyclic voltammetry, isothermal titration calorimetry, and mass spectrometry. These techniques demonstrate the chiral nature and high enantioselectivity of the chiral carbon materials. Overall, we believe that the novel approach presented here can contribute significantly to the development of new chiral carbon materials that will find important applications in chiral chemistry, such as in chiral catalysis and separation and in chiral sensors. From a scientific point of view, the approach and results reported here can significantly deepen our understanding of chirality at the nanoscale and of the structure and nature of chiral nonporous materials and surfaces.},
  language  = {en}
}
@article{AlrefaiMondalWrucketal.2019,
  author    = {Alrefai, Anas and Mondal, Suvendu Sekhar and Wruck, Alexander and Kelling, Alexandra and Schilde, Uwe and Brandt, Philipp and Janiak, Christoph and Schoenfeld, Sophie and Weber, Birgit and Rybakowski, Lawrence and Herrman, Carmen and Brennenstuhl, Katlen and Eidner, Sascha and Kumke, Michael Uwe and Behrens, Karsten and G{\"u}nter, Christina and M{\"u}ller, Holger and Holdt, Hans-J{\"u}rgen},
  title     = {Hydrogen-bonded supramolecular metal-imidazolate frameworks: gas sorption, magnetic and UV/Vis spectroscopic properties},
  series = {Journal of Inclusion Phenomena and Macrocyclic Chemistry},
  volume    = {94},
  journal   = {Journal of Inclusion Phenomena and Macrocyclic Chemistry},
  number    = {3-4},
  publisher = {Springer},
  address   = {Dordrecht},
  issn      = {1388-3127},
  doi       = {10.1007/s10847-019-00926-6},
  pages     = {155 -- 165},
  year      = {2019},
  abstract  = {By varying reaction parameters for the syntheses of the hydrogen-bonded metal-imidazolate frameworks (HIF) HIF-1 and HIF-2 (featuring 14 Zn and 14 Co atoms, respectively) to increase their yields and crystallinity, we found that HIF-1 is generated in two different frameworks, named as HIF-1a and HIF-1b. HIF-1b is isostructural to HIF-2. We determined the gas sorption and magnetic properties of HIF-2. In comparison to HIF-1a (Brunauer-Emmett-Teller (BET) surface area of 471m(2) g(-1)), HIF-2 possesses overall very low gas sorption uptake capacities [BET(CO2) surface area=85m(2) g(-1)]. Variable temperature magnetic susceptibility measurement of HIF-2 showed antiferromagnetic exchange interactions between the cobalt(II) high-spin centres at lower temperature. Theoretical analysis by density functional theory confirmed this finding. The UV/Vis-reflection spectra of HIF-1 (mixture of HIF-1a and b), HIF-2 and HIF-3 (with 14 Cd atoms) were measured and showed a characteristic absorption band centered at 340nm, which was indicative for differences in the imidazolate framework.},
  language  = {en}
}
@article{AndayiYenesewDereseetal.2006,
  author    = {Andayi, Andrew W. and Yenesew, Abiy and Derese, Solomon and Midiwo, Jacob O. and Gitu, Peter M. and Jondiko, Ogoche J. I. and Akala, Hoseah M. and Liyala, Pamela and Wangui, Julia and Waters, Norman C. and Heydenreich, Matthias and Peter, Martin G.},
  title     = {Antiplasmodial flavonoids from Erythrina sacleuxii},
  issn      = {0032-0943},
  doi       = {10.1055/s-2005-873200},
  year      = {2006},
  abstract  = {The acetone extracts of the root bark and stem bark of Erythrina sacleuxii showed antiplasmodial activities against the chloroquine-sensitive (D6) and chloroquine-resistant (W2) strains of Plasmodium falciparum. Chromatographic separation of the acetone extract of the root bark afforded a new isoflavone, 7-hydroxy-4 -methoxy-3'- prenylisoflavone (trivial name 5-deoxy-3' - prenylbiochanin A) along with known isoflavonoids as the antiplasmodial principles. Flavonoids and isoflavonoids isolated from the stem bark of E. sucleuxii were also tested and showed antiplasmodial activities. The structures were determined on the basis of spectroscopic evidence},
  language  = {en}
}
@article{AndersenPeterRoepstorff1996,
  author    = {Andersen, S. O. and Peter, Martin G. and Roepstorff, Peter},
  title     = {Cuticular sclerotization in insects},
  year      = {1996},
  language  = {en}
}
@article{AndrewsFergusonRangaswamyetal.2017,
  author    = {Andrews, N. L. P. and Ferguson, T. and Rangaswamy, A. M. M. and Bernicky, A. R. and Henning, N. and Dudelzak, A. and Reich, Oliver and Barnes, Jack A. and Loock, Hans-Peter},
  title     = {Hadamard-Transform Fluorescence Excitation-Emission-Matrix Spectroscopy},
  series = {Analytical chemistry},
  volume    = {89},
  journal   = {Analytical chemistry},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0003-2700},
  doi       = {10.1021/acs.analchem.7b02400},
  pages     = {8554 -- 8564},
  year      = {2017},
  abstract  = {We present a fluorescence excitation-emission-matrix spectrometer with superior data acquisition rates over previous instruments. Light from a white light emitting diode (LED) source is dispersed onto a digital micromirror array (DMA) and encoded using binary n-size Walsh functions ("barcodes"). The encoded excitation light is used to irradiate the liquid sample and its fluorescence is dispersed and detected using a conventional array spectrometer. After exposure to excitation light encoded in n different ways, the 2-dimensional excitation-emission-matrix (EEM) spectrum is obtained by inverse Hadamard transformation. Using this technique we examined the kinetics of the fluorescence of rhodamine B as a function of temperature and the acid-driven demetalation of chlorophyll into pheophytin-a. For these experiments, EEM spectra with 31 excitation channels and 2048 emission channels were recorded every 15 s. In total, data from over 3000 EEM spectra were included in this report. It is shown that the increase in data acquisition rate can be as high as [{n(n + 1)}/2]-fold over conventional EEM spectrometers. Spectral acquisition rates of more than two spectra per second were demonstrated.},
  language  = {en}
}
@article{AndrewsRossMunzkeetal.2016,
  author    = {Andrews, Nicholas L. P. and Ross, Rachel and Munzke, Dorit and van Hoorn, Camiel and Brzezinski, Andrew and Barnes, Jack A. and Reich, Oliver and Loock, Hans-Peter},
  title     = {In-fiber Mach-Zehnder interferometer for gas refractive index measurements based on a hollow-core photonic crystal fiber},
  series = {Optics express : the international electronic journal of optics},
  volume    = {24},
  journal   = {Optics express : the international electronic journal of optics},
  publisher = {Optical Society of America},
  address   = {Washington},
  issn      = {1094-4087},
  doi       = {10.1364/OE.24.014086},
  pages     = {14086 -- 14099},
  year      = {2016},
  abstract  = {We describe an in-fiber interferometer based on a gas-filled hollow-core photonic crystal fiber. Expressions for the sensitivity, figure of merit and refractive index resolution are derived, and values are experimentally measured and theoretically validated using mode field calculations. The refractive indices of nine monoatomic and molecular gases are measured with a resolution of delta(ns) < 10(-6). (C)2016 Optical Society of America},
  language  = {en}
}
@article{AndrianovSaalfrank2006,
  author    = {Andrianov, Ivan and Saalfrank, Peter},
  title     = {Free vibrational relaxation of H adsorbed on a Si(100) surface investigated with the multi-configurational time-dependent Hartree method},
  series = {Chemical physics letters},
  volume    = {433},
  journal   = {Chemical physics letters},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0009-2614},
  doi       = {10.1016/j.cplett.2006.11.067},
  pages     = {91 -- 96},
  year      = {2006},
  abstract  = {The results of a quantum-mechanical study of vibrational relaxation of hydrogen adsorbed on a Si(100) surface with the multi-configurational time-dependent Hartree (MCTDH) method are presented. A two-dimensional subsystem is coupled non-linearly to a bath of harmonic oscillators (phonons of the Si bulk), and the relaxation of subsystem vibrations proceeds primarily via a two-phonon process. Characteristic times of the system evolution agree well with our previous perturbation theory study. The vibrational population decay is non-exponential, exhibiting pronounced recurrences due to finite bath size. The dependence of the lifetimes of the vibrational levels on the bath size and on the coupling details is investigated.},
  language  = {en}
}
@article{AnklamBehlerDingermannetal.2013,
  author    = {Anklam, Elke and Behler, J{\"o}rg and Dingermann, Theodor and Elsinghorst, Paul and Fischer, Jochen and Esselen, Melanie and Foerster, Christian and Fr{\"o}hlich, Daniel and Goedel, Werner Andreas and Gregory, Peter and Grimme, Stefan and Hackenberger, Christian and Hansmann, Max and Heppekausen, Johannes and Hasenstab-Riedel, Sebastian and Kirchhoff, Erhard and Kratz, Karl-Ludwig and Krausz, Ferenc and Linker, Torsten and List, Benjamin and Ray, Kallol and Salzer, Reiner and Schubert, Ulrich and Schueth, Ferdi and Schwarz, Helmut and Schwietzke, Uta and Strey, Reinhard and Stumpf, Thorsten and Vaagt, Franziska and Volodkin, Dmitry and Wilke, Guenther and Zass, Engelbert and Zemb, Thomas},
  title     = {Awards},
  series = {Nachrichten aus der Chemie : Zeitschrift der Gesellschaft Deutscher Chemiker},
  volume    = {61},
  journal   = {Nachrichten aus der Chemie : Zeitschrift der Gesellschaft Deutscher Chemiker},
  number    = {11},
  publisher = {Ges. Dt. Chemiker},
  address   = {Frankfurt, Main},
  issn      = {1439-9598},
  doi       = {10.1002/nadc.201390372},
  pages     = {1145 -- 1148},
  year      = {2013},
  language  = {de}
}
@article{AntoniouPashalidisGessneretal.2011,
  author    = {Antoniou, Stella and Pashalidis, I. and Gessner, Andre and Kumke, Michael Uwe},
  title     = {The effect of humic acid on the formation and solubility of secondary solid phases (Nd(OH)CO3 and Sm(OH)CO3)},
  series = {Radiochimica acta : international journal for chemical aspects of nuclear science and technology},
  volume    = {99},
  journal   = {Radiochimica acta : international journal for chemical aspects of nuclear science and technology},
  number    = {4},
  publisher = {De Gruyter},
  address   = {Berlin},
  issn      = {0033-8230},
  doi       = {10.1524/ract.2011.1812},
  pages     = {217 -- 223},
  year      = {2011},
  abstract  = {The formation of secondary Ln(III) solid phases (e.g. Nd(OH)CO3 and Sm(OH)CO3) has been studied as a function of the humic acid (HA) concentration in 0.1 M NaClO4 aqueous solution and their solubility has been investigated in the neutral pH range (6.5-8) under normal atmospheric conditions. Nd(III) and Sm(III) were selected as analogues for trivalent lanthanide and actinide ions. The solid phases under investigation have been prepared by alkaline precipitation and characterized by TGA, ATR-FTIR, XRD, TRLFS, DR-UV-Vis and Raman spectroscopy, and solubility measurements. The spectroscopic data obtained indicate that Nd(OH)CO3 and Sm(OH)CO3 are stable and remain the solubility limiting solid phases even in the presence of increased HA concentration (0.5 g/L) in solution. Upon base addition in the Ln(III)-HA system decomplexation of the previously formed Ln(III)-humate complexes and precipitation of two distinct phases occurs, the inorganic (Ln(OH)CO3) and the organic phase (HA), which is adsorbed on the particle surface of the former. Nevertheless, HA affects the particle size of the solid phases. Increasing HA concentration results in decreasing crystallite size of the Nd(OH)CO3 and increasing crystallite size of the Sm(OH)CO3 solid phase, and affects inversely the solubility of the solid phases. However, this impact on the solid phase properties is expected to be of minor relevance regarding the chemical behavior and migration of trivalent lanthanides and actinides in the geosphere.},
  language  = {en}
}
@article{AntoniouPashalidisGessneretal.2011,
  author    = {Antoniou, Stella and Pashalidis, Ioannis and Gessner, Andre and Kumke, Michael Uwe},
  title     = {Spectroscopic investigations on the effect of humic acid on the formation and solubility of secondary solid phases of Ln(2)(CO3)(3)},
  series = {Journal of rare earths},
  volume    = {29},
  journal   = {Journal of rare earths},
  number    = {6},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {1002-0721},
  doi       = {10.1016/S1002-0721(10)60490-5},
  pages     = {516 -- 521},
  year      = {2011},
  abstract  = {The formation of secondary Ln(III) solid phases (e.g., Nd-2(CO3)(3) and Sm-2(CO3)(3)) was studied as a function of the humic acid concentration in 0.1 mol/L NaClO4 aqueous solution in the neutral pH range (5-6.5). The solid phases under investigation were prepared by alkaline precipitation under 100\% CO2 atmosphere and characterized by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD), time-resolved laser fluorescence spectroscopy (TRLFS), diffuse reflectance ultraviolet-visible (DR-UV-Vis), Raman spectroscopy, and solubility measurements. The spectroscopic data obtained indicated that Nd-2(CO3)(3) and Sm-2(CO3)(3) were stable and remained the solubility limiting solid phases even in the presence of increased humic acid concentration (0.5 g/L) in solution. Upon base addition in the Ln(III)-HA system, decomplexation of the previously formed Ln(III)-humate complexes and precipitation of two distinct phases occurred, the inorganic (Ln(2)(CO3)(3)) and the organic phase (HA), which was adsorbed on the particle surface of the former. Nevertheless, humic acid affected the particle size of the solid phases. Increasing humic acid concentration resulted in decreasing crystallite size of the Nd-2(CO3)(3) and increasing crystallite size of the Sm-2(CO3)(3) solid phase, and affected inversely the solubility of the solid phases. However, this impact on the solid phase properties was expected to be of minor relevance regarding the chemical behavior and migration of trivalent lanthanides and actinides in the geosphere.},
  language  = {en}
}
@article{ApitzBellDamgaardetal.2005,
  author    = {Apitz, Sabine E. and Bell, Elanor M. and Damgaard, Lars and Gilbert, Franck and Glud, R and Hall, P. O. J. and Kershaw, P. J. and Nickel, L and Parker, R and Rabouille, Christophe and Shimmield, Grahamm and Solan, Martin and Soltwedel, Thomas and Spagnoli, Federico and Witte, Ursula},
  title     = {Coastal Ocean Benthic Observatories (COBO) : integrated tools for the in situ observation and study of benthic ecosystem biogeochemical processes},
  year      = {2005},
  language  = {en}
}
@article{AravopoulouKyriakosMiasnikovaetal.2018,
  author    = {Aravopoulou, Dionysia and Kyriakos, Konstantinos and Miasnikova, Anna and Laschewsky, Andre and Papadakis, Christine M. and Kyritsis, Apostolos},
  title     = {Comparative Investigation of the Thermoresponsive Behavior of Two Diblock Copolymers Comprising PNIPAM and PMDEGA Blocks},
  series = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry},
  volume    = {122},
  journal   = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry},
  number    = {9},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1520-6106},
  doi       = {10.1021/acs.jpcb.7b09647},
  pages     = {2655 -- 2668},
  year      = {2018},
  abstract  = {The thermoresponsive behavior of two diblock copolymers PS-b-PNIPAM and PS-b-PMDEGA, which both comprise a hydrophobic polystyrene (PS) block but different thermoresponsive blocks, also differing in length, poly(N-isopropylacrylamide) (PNIPAM) and poly(methoxy diethylene glycol acrylate) (PMDEGA), respectively, was comparatively investigated in a wide temperature range. Concentrated aqueous solutions containing 25 wt \% polymer were studied by small-angle X-ray scattering (SAXS), differential scanning calorimetry (DSC), and broadband dielectric spectroscopy (BDS). DSC measurements show that, during the demixing phase transition, the hydration number per oligo(ethylene glycol) side chain in the PS-b-PMDEGA solution decreases rather gradually, even up to 20 °C above the onset of the transition, i.e., the cloud point (CP). In contrast, the PS-b-PNIPAM solution exhibits an abrupt, stepwise dehydration behavior at its CP, indicated by the sharp, narrow endothermic peak. BDS measurements suggest that the organization of the expelled water during the phase transition and the subsequent evolution of the micellar aggregates are different for the two copolymers. In the PS-b-PMDEGA solution, the long-range charge transport process changes significantly at its CP and strong interfacial polarization processes appear, probably due to charge accumulation at the interfaces between the micellar aggregates and the aqueous medium. On the contrary, in the PS-b-PNIPAM solution, the phase transition has only a marginal effect on the long-range conduction process and is accompanied by a reduction in the high-frequency (1 MHz) dielectric permittivity, ε′. The latter effect is attributed to the reduced polarization strength of local chain modes due to an enhancement of intra- and interchain hydrogen bonds (HBs) in the polymer-rich phase during the water detaching process. Surprisingly, our BDS measurements indicate that prior to both the demixing and remixing processes the local chain mobility increases temporally. Our dielectric studies suggest that for PS-b-PNIPAM the water detaching process initiates a few degrees below CP and that the local chain mobility and intra- and/or interchain HBs of the PNIPAM blocks may control its thermoresponsive behavior. Dielectric "jump" experiments show that the kinetics of micellar aggregation in the PS-b-PMDEGA solution is slower than that in the PS-b-PNIPAM solution and is independent of the target temperature within the two-phase region. From the experimental point of view, it is shown that the dielectric susceptibility, especially, the dielectric permittivity, ε′, is a well-suited probe for monitoring both the reversible changes in the molecular dipolar bond polarizability and the long-range interfacial polarization at the phase transition.},
  language  = {en}
}
@article{AriasFeuerbachSchmidtetal.2018,
  author    = {Arias, Hugo R. and Feuerbach, Dominik and Schmidt, Bernd and Heydenreich, Matthias and Paz, Cristian and Ortells, Marcelo O.},
  title     = {Drimane Sesquiterpenoids Noncompetitively Inhibit Human alpha 4 beta 2 Nicotinic Acetylcholine Receptors with Higher Potency Compared to Human alpha 3 beta 4 and alpha 7 Subtypes},
  series = {Journal of natural products},
  volume    = {81},
  journal   = {Journal of natural products},
  number    = {4},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0163-3864},
  doi       = {10.1021/acs.jnatprod.7b00893},
  pages     = {811 -- 817},
  year      = {2018},
  abstract  = {The drimane sesquiterpenoids drimenin, cinnamolide, dendocarbin A, and polygodial were purified from the Canelo tree (Drimys winteri) and chemically characterized by spectroscopic methods. The pharmacological activity of these natural compounds were determined on hα4β2, hα3β4, and hα7 nicotinic acetylcholine receptors (AChRs) by Ca2+ influx measurements. The results established that drimane sesquiterpenoids inhibit AChRs with the following selectivity: hα4β2 > hα3β4 > hα7. In the case of hα4β2 AChRs, the following potency rank order was determined (IC50's in μM): drimenin (0.97 ± 0.35) > cinnamolide (1.57 ± 0.36) > polygodial (62.5 ± 19.9) ≫ dendocarbin A (no activity). To determine putative structural features underlying the differences in inhibitory potency at hα4β2 AChRs, additional structure-activity relationship and molecular docking experiments were performed. The Ca2+ influx and structural results supported a noncompetitive mechanism of inhibition, where drimenin interacted with luminal and nonluminal (TMD-β2 intrasubunit) sites. The structure-activity relationship results, i.e., the lower the ligand polarity, the higher the inhibitory potency, supported the nonluminal interaction. Ligand binding to both sites might inhibit the hα4β2 AChR by a cooperative mechanism, as shown experimentally (nH > 1). Drimenin could be used as a molecular scaffold for the development of more potent inhibitors with higher selectivity for the hα4β2 AChR.},
  language  = {en}
}
@article{ArminDurrantShoaee2017,
  author    = {Armin, Ardalan and Durrant, James R. and Shoaee, Safa},
  title     = {Interplay Between Triplet-, Singlet-Charge Transfer States and Free Charge Carriers Defining Bimolecular Recombination Rate Constant of Organic Solar Cells},
  series = {The journal of physical chemistry : C, Nanomaterials and interfaces},
  volume    = {121},
  journal   = {The journal of physical chemistry : C, Nanomaterials and interfaces},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1932-7447},
  doi       = {10.1021/acs.jpcc.7b04825},
  pages     = {13969 -- 13976},
  year      = {2017},
  abstract  = {Despite the myriad of organic donor:acceptor materials, only few systems have emerged in the life of organic solar cells to, exhibit considerable reduced bimolecular recombination, with respect to the random encounter rate given by the Langevin equation. Monte Carlo simulations have revealed that the rate constant of the formation of electron-hole bound states depends on the random encounter of opposite charges and is nearly given by the Langevin equation for the domain sizes relevant to efficient bulk heterojunction systems. Recently, three studies :suggested that charge transfer states dissociating much faster than their decay rate to the ground state, can result in reduced bimolecular recombination by lowering the recombination rate to the ground state as a loss pathway. A separate study identified another loss pathway and suggested that forbidden back electron transfer from triplet charge transfer states to triplet excitons is a key to achieving reduced recombination. Herein we further explain the reduced bimolecular recombination by investigating the limitations of these two proposals. By solving kinetic rate equations for a BHJ system with realistic rates, we show that both of these previously presented conditions must only be held at the same time fora system to exhibit non-Langevin behavior. We demonstrate that suppression of both of the parallel loss channels of singlet and triplet states can be achieved through increasing the dissociation rate of the charge transfer states; a crucial requirement to achieve a high charge carrier extraction efficiency.},
  language  = {en}
}
@article{ArotcarenaHeiseIshayaetal.2002,
  author    = {Arotcarena, Michel and Heise, Bettina and Ishaya, Sultana and Laschewsky, Andr{\´e}},
  title     = {Switching the inside and the outside of aggregates of water-soluble block copolymers with double thermoresponsivity},
  year      = {2002},
  abstract  = {Water-soluble block copolymers were prepared from the non-ionic monomer N-isopropylacrylamide (NIPA) and the zwitterionic monomer 3-[N-(3-methacrylamidopropyl)-N,N-dimethyl]-ammonio propane sulfonate (SPP) by sequential free radical polymerization via the RAFT process. Such block copolymers with two hydrophilic blocks exhibit double thermo- responsive behavior in water: the poly-NIPA block shows a lower critical solution temperature, whereas the poly-SPP block exhibits an upper critical solution temperature. Appropriate design of the block lengths leads to block copolymers which stay in solution in the full temperature range between 0°C and 100°C. Both blocks of these polymers dissolve in water at intermediate temperatures, whereas at high temperatures, the poly-NIPA block forms colloidal hydrophobic associates that are kept in solution by the poly-SPP block, and at low temperatures, the poly-SPP block forms colloidal polar aggregates that are kept in solution by the poly-NIPA block. In this way, colloidal aggregates can be prepared in water which switch reversibly, and without any additive, their "inside" to the "outside", and vice versa. The aggregates provide microdomains and surfaces of different character, which can be controlled by a simple thermal stimulus.},
  language  = {en}
}
@article{ArrietaBeyerLehmannetal.1992,
  author    = {Arrieta, A. and Beyer, L. and Lehmann, J. and Dargatz, M. and Kleinpeter, Erich},
  title     = {Synthese und 1H-NMR-spektroskopische Untersuchungen neuer Curcuminanaloga},
  year      = {1992},
  language  = {de}
}
@article{ArysFischerJonasetal.2003,
  author    = {Arys, Xavier and Fischer, Peter and Jonas, Alain M. and Koetse, Marc M. and Legras, Roger and Laschewsky, Andr{\´e} and Wischerhoff, Erik},
  title     = {Ordered polyelectrolyte multilayers : rules governing layering in organic binary multilayers},
  year      = {2003},
  language  = {en}
}
@article{AstRutledgeTodd2012,
  author    = {Ast, Sandra and Rutledge, Peter J. and Todd, Matthew H.},
  title     = {Reversing the triazole topology in a cyclam-triazole-dye ligand gives a 10-fold brighter signal response to Zn2+ in aqueous solution},
  series = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  journal   = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  number    = {34},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1434-1948},
  doi       = {10.1002/ejic.201201072},
  pages     = {5611 -- 5615},
  year      = {2012},
  abstract  = {The fluorescence response of a set of cyclam-triazole-dye ligands is controlled by the appended dye, but simple reversal of the triazole topology affords a novel probe for Zn2+ with a longer fluorescence lifetime and higher fluorescence quantum yield upon Zn2+ binding (<tau t > = 2.0 ns, Phi(f) = 0.76).},
  language  = {en}
}
@article{AstSchwarzeMuelleretal.2013,
  author    = {Ast, Sandra and Schwarze, Thomas and M{\"u}ller, Holger and Sukhanov, Aleksey and Michaelis, Stefanie and Wegener, Joachim and Wolfbeis, Otto S. and K{\"o}rzd{\"o}rfer, Thomas and D{\"u}rkop, Axel and Holdt, Hans-J{\"u}rgen},
  title     = {A highly K+-Selective Phenylaza-[18]crown-6-Lariat-Ether-Based Fluoroionophore and its application in the sensing of K+ Ions with an optical sensor film and in cells},
  series = {Chemistry - a European journal},
  volume    = {19},
  journal   = {Chemistry - a European journal},
  number    = {44},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0947-6539},
  doi       = {10.1002/chem.201302350},
  pages     = {14911 -- 14917},
  year      = {2013},
  abstract  = {Herein, we report the synthesis of two phenylaza-[18]crown-6 lariat ethers with a coumarin fluorophore (1 and 2) and we reveal that compound 1 is an excellent probe for K+ ions under simulated physiological conditions. The presence of a 2-methoxyethoxy lariat group at the ortho position of the anilino moiety is crucial to the substantially increased stability of compounds 1 and 2 over their lariat-free phenylaza-[18] crown-6 ether analogues. Probe 1 shows a high K+/Na+ selectivity and a 2.5-fold fluorescence enhancement was observed in the presence of 100 mm K+ ions. A fluorescent membrane sensor, which was prepared by incorporating probe 1 into a hydrogel, showed a fully reversible response, a response time of 150 s, and a signal change of 7.8\% per 1 mm K+ within the range 1-10 mm K+. The membrane was easily fabricated (only a single sensing layer on a solid polyester support), yet no leaching was observed. Moreover, compound 1 rapidly permeated into cells, was cytocompatible, and was suitable for the fluorescent imaging of K+ ions on both the extracellular and intracellular levels.},
  language  = {en}
}
@article{AtilawDuffyHeydenreichetal.2017,
  author    = {Atilaw, Yoseph and Duffy, Sandra and Heydenreich, Matthias and Muiva-Mutisya, Lois and Avery, Vicky M. and Erdelyi, Mate and Yenesew, Abiy},
  title     = {Three Chalconoids and a Pterocarpene from the Roots of Tephrosia aequilata},
  series = {Molecules},
  volume    = {22},
  journal   = {Molecules},
  number    = {2},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {1420-3049},
  doi       = {10.3390/molecules22020318},
  pages     = {11},
  year      = {2017},
  abstract  = {In our search for new antiplasmodial agents, the CH2Cl2/CH3OH (1:1) extract of the roots of Tephrosia aequilata was investigated, and observed to cause 100\% mortality of the chloroquine-sensitive (3D7) strain of Plasmodium falciparum at a 10 mg/mL concentration. From this extract three new chalconoids, E-2,6-dimethoxy-3,4-(2,2-dimethyl)pyranoretrochalcone (1, aequichalcone A), Z-2,6-dimethoxy-3,4-(2,2-dimethyl)pyranoretrochalcone (2, aequichalcone B), 4-ethoxy-3-hydroxypraecansone B (3, aequichalcone C) and a new pterocarpene, 3,4:8,9-dimethylenedioxy-6a,11a-pterocarpene (4), along with seven known compounds were isolated. The purified compounds were characterized by NMR spectroscopic and mass spectrometric analyses. Compound 1 slowly converts into 2 in solution, and thus the latter may have been enriched, or formed, during the extraction and separation process. The isomeric compounds 1 and 2 were both observed in the crude extract. Some of the isolated constituents showed good to moderate antiplasmodial activity against the chloroquine-sensitive (3D7) strain of Plasmodium falciparum.},
  language  = {en}
}
@article{AtilawHeydenreichNdakalaetal.2014,
  author    = {Atilaw, Yoseph and Heydenreich, Matthias and Ndakala, Albert and Akala, Hoseah M. and Kamau, Edwin and Yenesew, Abiy},
  title     = {3-Oxo-14 alpha, 15 alpha-epoxyschizozygine: A new schizozygane indoline alkaloid from Schizozygia coffaeoides},
  series = {Phytochemistry letters},
  volume    = {10},
  journal   = {Phytochemistry letters},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {1874-3900},
  doi       = {10.1016/j.phytol.2014.07.003},
  pages     = {28 -- 31},
  year      = {2014},
  abstract  = {The stem bark extract of Schizozygia coffaeoides (Apocynaceae) showed moderate antiplasmodial activity (IC50 = 8-12 mu g/mL) against the chloroquine-sensitive (D6) and chloroquine-resistant (W2) strains of Plasmodium falciparum. Chromatographic separation of the extract led to the isolation of a new schizozygane indoline alkaloid, named 3-oxo-14 alpha, 15 alpha-epoxyschizozygine. In addition, two dimeric anthraquinones, cassiamin A and cassiamin B, were identified for the first time in the family Apocynaceae. The structures of the isolated compounds were deduced on the basis of spectroscopic evidence. The schizozygane indole alkaloids showed good to moderate antiplasmodial activities (IC50 = 13-52 mu m). (C) 2014 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.},
  language  = {en}
}
@article{AttenbergerMoussaBrietzkeetal.2015,
  author    = {Attenberger, Bianca and Moussa, Mehdi El Sayed and Brietzke, Thomas Martin and Vreshch, Volodimir and Holdt, Hans-J{\"u}rgen and Lescop, Christophe and Scheer, Manfred},
  title     = {Discrete Polymetallic Arrangements of Ag-I and Cu-I Ions Based on Multiple Bridging Phosphane Ligands and pi-pi Interactions},
  series = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  journal   = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  number    = {18},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1434-1948},
  doi       = {10.1002/ejic.201500445},
  pages     = {2934 -- 2938},
  year      = {2015},
  abstract  = {A simple and straightforward approach to new polymetallic Ag-I and Cu-I supramolecules is presented. The reaction of N,P,N,P,N ligand 2 with Ag-I ions affords a trimetallic complex bearing a triangular Ag-3 core; metallophilic interactions are stabilized by ligands that display a multiple bridging coordination mode as 10-electron donors. Heteroleptic polymetallic Ag-I and Cu-I complexes based on ligand 2 and the 1,12-diazaperylene (dape) ligand are obtained by an alternative molecular organization of the polymetallic arrays compared to that in homoleptic complexes of ligand 2.},
  language  = {en}
}
@article{AwadConradKochetal.2010,
  author    = {Awad, Duha Jawad and Conrad, Franziska and Koch, Andreas and Friedrich, Alwin and Poeppl, Andreas and Strauch, Peter},
  title     = {2,2'-Bipyridin-1,2-dithiolat Gemischtligand-Komplexe : Systhese, Charakterisierung und EPR-Spektroskopie},
  issn      = {0932-0776},
  year      = {2010},
  abstract  = {A series of new 2 2'-bipyridine/1 2-dithiolate transition metal complexes has been synthesised and characterised As 1,2-dithiolate ligands 1,2 dithiooxalate (dto) and 1 2-dithiosquarate (dtsq) were used It follows from the IR spectra that the multidentate dithiolate ligands coordinate exclusively via their sulfur atoms forming an MN2S2 coordination sphere The central metal ions (M) are Cu2+ Ni2+ Pd2+ Pt2+, and Zn2+ The complex [Cu-II(bpy)(dto)] could be studied by EPR spectroscopy and was measured as powder diamagnetically diluted in the isostructural [Ni-II(bpy)(dto)] host structure The spin density contribution calculated from the experimental parameters is compared with the electronic situation in the frontier orbitals namely in the semi occupied SOMO of the copper complex derived from quantum chemical calculations on different levels (EHT and DFT)},
  language  = {de}
}
@article{AwadConradKochetal.2010,
  author    = {Awad, Duha Jawad and Conrad, Franziska and Koch, Andreas and Schilde, Uwe and Poeppl, Andreas and Strauch, Peter},
  title     = {1,10-phenanthroline-dithiolate mixed ligand transition metal complexes : synthesis, characterization and EPR spectroscopy},
  issn      = {0020-1693},
  doi       = {10.1016/j.ica.2010.01.021},
  year      = {2010},
  abstract  = {A series of new N2S2 mixed ligand transition metal complexes, where N-2 is phenanthroline and S-2 is 1,2- dithiooxalate (dto) or 1,2-dithiosquarate (dtsq), has been synthesized and characterized. IR spectra reveal that the 1,2- dithiolate ligands are coordinated via the sulfur atoms forming a N2S2 coordination sphere. The copper(II) complex [Cu(phen)(dto)] was studied by EPR spectroscopy as a diamagnetically diluted powder. The diamagnetic dilution resulted from doping of the copper complex into the isostructural host lattice of the nickel complex [Ni(phen)(dto)]. The electronic situation in the frontier orbitals of the copper complex calculated from the experimental data is compared to the results of EHT and DFT calculations. Furthermore, one side product, chlorobis(1,10-phenanthroline)copper(I) ethanol solvate hydrate [(phen)(2)CuCl]center dot C2H5OH center dot H2O, was formed by a reduction process and characterized by X-ray diffraction. In the crystal packing one-dimensional columns of dimers are formed, stabilized by significant pi-pi interactions.},
  language  = {en}
}
@article{AwadKochMickleretal.2012,
  author    = {Awad, Duha Jawad and Koch, Andreas and Mickler, Wulfhard and Schilde, Uwe and Strauch, Peter},
  title     = {EPR spectroscopy of 4, 4 '-Bis(tert-butyl)-2, 2 '-bipyridine-1, 2-dithiolatocuprates(II) in host lattices with different coordination geometries},
  series = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie},
  volume    = {638},
  journal   = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie},
  number    = {6},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0044-2313},
  doi       = {10.1002/zaac.201100517},
  pages     = {965 -- 975},
  year      = {2012},
  abstract  = {A series of new heteroleptic MN2S2 transition metal complexes with M = Cu2+ for EPR measurements and as diamagnetic hosts Ni2+, Zn2+, and Pd2+ were synthesized and characterized. The ligands are N2 = 4, 4'-bis(tert-butyl)-2, 2'-bipyridine (tBu2bpy) and S2 =1, 2-dithiooxalate, (dto), 1, 2-dithiosquarate, (dtsq), maleonitrile-1, 2-dithiolate, or 1, 2-dicyanoethene-1, 2-dithiolate, (mnt). The CuII complexes were studied by EPR in solution and as powders, diamagnetically diluted in the isostructural planar [NiII(tBu2bpy)(S2)] or[PdII(tBu2bpy)(S2)] as well as in tetrahedrally coordinated[ZnII(tBu2bpy)(S2)] host structures to put steric stress on the coordination geometry of the central CuN2S2 unit. The spin density contributions for different geometries calculated from experimental parameters are compared with the electronic situation in the frontier orbital, namely in the semi-occupied molecular orbital (SOMO) of the copper complex, derived from quantum chemical calculations on different levels (EHT and DFT). One of the hosts, [NiII(tBu2bpy)(mnt)], is characterized by X-ray structure analysis to prove the coordination geometry. The complex crystallizes in a square-planar coordination mode in the monoclinic space group P21/a with Z = 4 and the unit cell parameters a = 10.4508(10) angstrom, b = 18.266(2) angstrom, c = 12.6566(12) angstrom, beta = 112.095(7)degrees. Oxidation and reductions potentials of one of the host complexes, [Ni(tBu2bpy)(mnt)], were obtained by cyclovoltammetric measurements.},
  language  = {en}
}
@article{AwadSchildeStrauch2011,
  author    = {Awad, Duha Jawad and Schilde, Uwe and Strauch, Peter},
  title     = {4,4 '-Bis(tert-butyl)-2,2 '-bipyridinedichlorometal(II) - Synthesis, structure and EPR spectroscopy},
  series = {Inorganica chimica acta : the international inorganic chemistry journal},
  volume    = {365},
  journal   = {Inorganica chimica acta : the international inorganic chemistry journal},
  number    = {1},
  publisher = {Elsevier},
  address   = {Lausanne},
  issn      = {0020-1693},
  doi       = {10.1016/j.ica.2010.08.035},
  pages     = {127 -- 132},
  year      = {2011},
  abstract  = {Due to the better solubility of the 4,4'-substituted bipyridine ligand a series of 4,4'0-bis(tert-butyl)-2,2'-bipyridinedichlorometal(II) complexes, [M(tbbpy)Cl(2)], with M = Cu, Ni, Zn, Pd, Pt was synthesised and characterised. The blue copper complex 4,4'-bis(tert-butyl)-2,2'-bipyridinedichlorocopper(II) was isolated in two different polymorphic forms, as prisms 1 with a solvent inclusion and solvent-free as needles 2. Both structures were determined by X-ray structure analysis. They crystallise in the monoclinic space group P2(1)/c with four molecules in the unit cell, but with different unit cells and packing motifs. Whereas in the prisms 1, with the unit cell parameters a = 12.1613(12), b = 10.6363(7), c = 16.3074(15) angstrom, eta = 94.446(8)degrees, the packing is dominated by intra-and intermolecular hydrogen bonds, in the needles 2, with a = 7.738(1), b = 18. 333(2), c = 13.291(3) angstrom, beta = 97.512(15)degrees, only intramolecular hydrogen bonds appear and the complex molecules are arranged in columns which are stabilised by p-p-stacking interactions. In both complexes the copper has a tetrahedrally distorted coordination sphere. These copper complexes were also studied by EPR spectroscopy in solution, as frozen glass and diamagnetically diluted powder with the analogue [Pd(tbbpy)Cl(2)] as host lattice.},
  language  = {en}
}
@article{AwasthiRitschelLipowskyetal.2013,
  author    = {Awasthi, Neha and Ritschel, Thomas and Lipowsky, Reinhard and Knecht, Volker},
  title     = {Standard gibbs energies of formation and equilibrium constants from ab-initio calculations covalent dimerization of NO2 and synthesis of NH3},
  series = {The journal of chemical thermodynamics},
  volume    = {62},
  journal   = {The journal of chemical thermodynamics},
  number    = {3},
  publisher = {Elsevier},
  address   = {London},
  issn      = {0021-9614},
  doi       = {10.1016/j.jct.2013.03.011},
  pages     = {211 -- 221},
  year      = {2013},
  abstract  = {Standard quantum chemical methods are used for accurate calculation of thermochemical properties such as enthalpies of formation, entropies and Gibbs energies of formation. Equilibrium reactions are widely investigated and experimental measurements often lead to a range of reaction Gibbs energies and equilibrium constants. It is useful to calculate these equilibrium properties from quantum chemical methods in order to address the experimental differences. Furthermore, most standard calculation methods differ in accuracy and feasibility of the system size. Hence, asystematic comparison of equilibrium properties calculated with different numerical algorithms would provide a useful reference. We select two well-known gas phase equilibrium reactions with small molecules: covalent dimer formation of NO2 (2NO(2) reversible arrow N2O4) and the synthesis of NH3 (N-2 + 3 H-2 reversible arrow 2NH(3)). We test four quantum chemical methods denoted by G3B3, CBS-APNO, W1 and CCSD(T) with aug-cc-pVXZ basis sets (X = 2, 3, and 4), to obtain thermochemical data for NO2, N2O4, and NH3. The calculated standard formation Gibbs energies Delta(f)G degrees are used to calculate standard reaction Gibbs energies Delta(r)G degrees and standard equilibrium constants K-eq for the two reactions. Standard formation enthalpies Delta H-f degrees are calculated in a more reliable way using high-level methods such as W1 and CCSD(T). Standard entropies S degrees for the molecules are calculated well within the range of experiments for all methods, however, the values of standard formation Gibbs energies Delta(f)G degrees show some dependence on the choice of the method. High-level methods perform better for the calculation of molecular energies, however, simpler methods such as G3B3 and CBS-APNO perform quite well in the calculation of total reaction energies and equilibrium constants, provided that the chemical species involved do not exhibit molecular geometries that are difficult to handle by the applied method. The temperature dependence of standard reaction Gibbs energy Delta(r)G degrees for the NH3 reaction is discussed by using the calculated standard formation Gibbs energies Delta(f)G degrees of the reaction species at 298.15 K. The corresponding equilibrium constant K-eq as a function of temperature is found to be close to experimental values.},
  language  = {en}
}
@article{AyiKhareStrauchetal.2010,
  author    = {Ayi, Ayi A. and Khare, Varsha and Strauch, Peter and Girard, J{\`e}r{\^o}me and Fromm, Katharina M. and Taubert, Andreas},
  title     = {On the chemical synthesis of titanium nanoparticles from ionic liquids},
  issn      = {0026-9247},
  doi       = {10.1007/s00706-010-0403-4},
  year      = {2010},
  abstract  = {We report on attempts towards the synthesis of titanium nanoparticles using a wet chemical approach in imidazolium-based ionic liquids (ILs) under reducing conditions. Transmission electron microscopy finds nanoparticles in all cases. UV/Vis spectroscopy confirms the nanoparticulate nature of the precipitate, as in all cases an absorption band between ca. 280 and 300 nm is visible. IR spectroscopy shows that even after extensive washing and drying, some IL remains adsorbed on the nanoparticles. Raman spectroscopy suggests the formation of anatase nanoparticles, but X-ray diffraction reveals that, possibly, amorphous titania forms or that the nanoparticles are so small that a clear structure assignment is not possible. The report thus shows that (possibly amorphous) titanium oxides even form under reducing conditions and that the chemical synthesis of titanium nanoparticles in ILs remains elusive.},
  language  = {en}
}
@article{BaderKlierHettrichetal.2016,
  author    = {Bader, Denise and Klier, Dennis Tobias and Hettrich, C. and Bier, Frank Fabian and Wessig, Pablo},
  title     = {Detecting carbohydrate-lectin interactions using a fluorescent probe based on DBD dyes},
  series = {Analytical methods : advancing methods and applications},
  volume    = {8},
  journal   = {Analytical methods : advancing methods and applications},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1759-9660},
  doi       = {10.1039/c5ay02991k},
  pages     = {1235 -- 1238},
  year      = {2016},
  abstract  = {Herein we present an efficient synthesis of a biomimetic probe with modular construction that can be specifically bound by the mannose binding FimH protein - a surface adhesion protein of E. coli bacteria. The synthesis combines the new and interesting DBD dye with the carbohydrate ligand mannose via a Click reaction. We demonstrate the binding to E. coli bacteria over a large concentration range and also present some special characteristics of those molecules that are of particular interest for the application as a biosensor. In particular, the mix-and-measure ability and the very good photo-stability should be highlighted here.},
  language  = {en}
}
@article{BagdahnTaubert2013,
  author    = {Bagdahn, Christian and Taubert, Andreas},
  title     = {Ionogel fiber mats - functional materials via electrospinning of PMMA and the ionic liquid bis(1-butyl-3-methyl-imidazolium) Tetrachloridocuprate(II), [Bmim](2)[CuCl4]},
  series = {Zeitschrift f{\"u}r Naturforschung : B, Chemical sciences},
  volume    = {68},
  journal   = {Zeitschrift f{\"u}r Naturforschung : B, Chemical sciences},
  number    = {10},
  publisher = {De Gruyter},
  address   = {T{\"u}bingen},
  issn      = {0932-0776},
  doi       = {10.5560/ZNB.2013-3195},
  pages     = {1163 -- 1171},
  year      = {2013},
  abstract  = {Ionogel fiber mats were made by electrospinning poly(methylmethacrylate) (PMMA) and the ionic liquid (IL) bis(1-butyl-3-methyl-imidazolium) tetrachloridocupraten, [Bmim](2)[CuCl4], from acetone. The morphology of the electrospun ionogels strongly depends on the spinning parameters. Dense and uniform fiber mats were only obtained at concentrations of 60 to 70 g of polymer and IL mass combined. Lower concentrations led to a low number of poorly defined fibers. High voltages of 20 to 25 kV led to well-defined and uniform fibers; voltages between 15 and 20 kV again led to less uniform and less dense fibers. At 10 kV and lower, no spinning could be induced. Finally, PMMA fibers electrospun without IL show a less well-defined morphology combining fibers and oblong droplets indicating that the IL has a beneficial effect on the electrospinning process. The resulting materials are prototypes for new functional materials, for example in sterile filtration.},
  language  = {en}
}
@article{BahrkeEinarssonGislasonetal.2002,
  author    = {Bahrke, Sven and Einarsson, Jon M. and Gislason, Johannes and Haebel, Sophie and Letzel, Matthias C. and Peter-Katalinic, Jasna and Peter, Martin G.},
  title     = {Sequence analysis of chitooligosaccharides by matrix-assisted laser desorption ionization postsource decay mass spectrometry},
  year      = {2002},
  abstract  = {Oligosaccharides composed of 2-acetamido-2-deoxy-D-glucopyranose (GlcNAc) and/or 2-amino-2-deoxy-D- glucopyranose (GlcN) were prepd. by chem. degrdn. of chitin or chitosan and sepd. by gel permeation chromatog. Oligosaccharides obtained after enzymic hydrolysis of chitosan [FA 0.19] with a fungal chitinase were derivatized by reductive amination with 2-aminoacridone and sequenced by matrix-assisted laser desorption ionization time-of-flight postsource decay (PSD) mass spectrometry (MS). The sequence of a trimer, D1A2, was established as D-A-A. The compn. of a hexamer D3A3 was .apprx.65\% D-A-D-D-A-A and 35\% D-D-A-D-A-A. The PSD MS of a nonamer D5A4-amac revealed four isobaric species D-X-Y-D-X-Y-D-A-A, where A is GlcNAc, D is GlcN, and X and Y (X ¹ Y) are mutually either D or A. This structure motif was also obsd. in a dodecamer D7A5 which was composed of eight isobaric sequences of the general formula (D-X-Y)3- D-A-A.},
  language  = {en}
}
@article{BahrkeEinarssonGislasonetal.2003,
  author    = {Bahrke, Sven and Einarsson, Jon M. and Gislason, Johannes and Haebel, Sophie and Peter-Katalinic, Jasna},
  title     = {Characterization of chitooligosaccharides by mass spectrometry},
  isbn      = {82-471-5901-5},
  year      = {2003},
  abstract  = {Heterochitooligosaccharides of DP 6, DP 9, and DP 12 were evaluated using established methods of derivatization and matrix-assisted laser desorption ionization post source decay mass spectrometry.},
  language  = {en}
}
@article{BaierKellingHoldt2015,
  author    = {Baier, Heiko and Kelling, Alexandra and Holdt, Hans-J{\"u}rgen},
  title     = {PEPPSI-Effect on Suzuki-Miyaura Reactions Using 4,5-Dicyano-1,3-dimesitylimidazol-2-ylidene-Palladium Complexes: A Comparison between trans-Ligands},
  series = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  journal   = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  number    = {11},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1434-1948},
  doi       = {10.1002/ejic.201500010},
  pages     = {1950 -- 1957},
  year      = {2015},
  abstract  = {The PEPPSI (Pyridine Enhanced Precatalyst Preparation, Stabilization and Initiation) complexes 12-15 with the structure [PdCl2{(CN)(2)IMes}(3-R-py)] (12: R = H; 13: R = Cl; 14: R = Br; 15: R = CN) bearing the maleonitrile-based N-heterocyclic carbene (NHC) (CN)(2)IMes ({(CN)(2)IMes}: 4,5-dicyano-1,3-dimesitylimidazol-2-ylidene) were prepared. Solid state structures of 14 and 15 were obtained. Complexes 14 and 15 adopt a slightly distorted square-planar coordination geometry in the solid state with the substituted pyridine ligand trans to the NHC. Catalytic activities of precatalysts 12-15 were studied and subsequently compared to complexes [PdCl2{(CN)(2)IMes}(PPh3)] (4) and [PdCl(dmba){(CN)(2)IMes}] (5) recently reported by our group in the Suzuki-Miyaura reaction of various aryl halides and phenylboronic acid. Reactions using previously reported [PdCl2(IMes)(py)] (IMes: 1,3-dimesitylimidazol-2-ylidene) (1) were also carried out and their results contrasted to those involving 12-15, 4 and 5. Differences in initiation rates and the catalytically active species related to the seven complexes in regards to the throw away ligand were investigated. Poisoning experiments with mercury show that palladium nanoparticles are responsible for the catalytic activity.},
  language  = {en}
}
@article{BaierKellingJackstelletal.2013,
  author    = {Baier, Heiko and Kelling, Alexandra and Jackstell, Ralf and Holdt, Hans-J{\"u}rgen},
  title     = {Rhodium(I) and Silver(I) Complexes of 4,5-Dicyano-1,3-dimesityl- and 4,5-Dicyano-1,3-dineopentylimidazol-2-ylidene},
  series = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie},
  volume    = {639},
  journal   = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie},
  number    = {10},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0044-2313},
  doi       = {10.1002/zaac.201300250},
  pages     = {1731 -- 1739},
  year      = {2013},
  abstract  = {The new N-heterocyclic carbene (NHC) precursors 4,5-dicyano-1, -dimesityl- (9) and 4, 5-dicyano-1, 3-dineopentyl-2-(pentafluorophenyl)imidazoline (14) were synthesized. 9 could be determined by X-ray crystallography. With the 2-pentafluorophenyl-substituted imidazolines 9 and 14, the [AgCl(NHC)], [RhCl(COD)(NHC)], and [RhCl(CO)(2)(NHC)] complexes [NHC = 4, 5-dicyano-1, 3-dimesitylimidazol-2-ylidene (3) and 4, 5-dicyano-1, 3-dineopentylimidazol-2-ylidene (4)] were obtained. Crystal structures of [AgCl(3)] (15), [RhCl(COD)(3)] (17), [RhCl(COD)(4)] (18), and [RhCl(CO)(2)(3)] (19) were solved and with the crystal data of 19, the percent buried volume (\%V-bur) of 31.8(+/- 0.1)\% was determined for NHC 3. Infrared spectra of the imidazolines 9 and 14 and of the complexes 15-20 were recorded and the CO stretching frequencies of complexes 19 and 20 were used to determine the 3 ( (-1)) and 4 ( (-1)), thus proving that 1, 3-substitution of maleonitrile-NHCs does not have a significant effect for the high -acceptor strength of these carbenes.},
  language  = {en}
}
@article{BaierKellingSchildeetal.2016,
  author    = {Baier, Heiko and Kelling, Alexandra and Schilde, Uwe and Holdt, Hans-J{\"u}rgen},
  title     = {Investigation of the Catalytic Activity of a 2-Phenylidenepyridine Palladium(II) Complex Bearing 4,5-Dicyano-1,3-bis(mesityl)imidazol-2-ylidene in the Mizoroki-Heck Reaction},
  series = {Zeitschrift f{\~A}¼r anorganische und allgemeine Chemie},
  volume    = {642},
  journal   = {Zeitschrift f{\~A}¼r anorganische und allgemeine Chemie},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0044-2313},
  doi       = {10.1002/zaac.201500625},
  pages     = {140 -- 147},
  year      = {2016},
  abstract  = {The phenylidenepyridine (ppy) palladacycles [PdCl(ppy)(IMes)] (4) [IMes = 1,3-bis(mesityl) imidazol-2-ylidene] and [PdCl(ppy){(CN)(2)IMes}] (6) [(CN)(2)IMes = 4,5-dicyano-1,3-bis(mesityl) imidazol-2-ylidene] were prepared by facile two step syntheses, starting with the reaction of palladium(II) chloride with 2-phenylpyridine followed by subsequent addition of the NHC ligand to the precatalyst precursor [PdCl(ppy)](2). Suitable crystals for the X-ray analysis of the complexes 4 and 6 were obtained. It was shown that 6 has a shorter NHC-palladium bond than the IMes complex 4. The difference of the palladium carbene bond lengths based on the higher pi-acceptor strength of (CN)(2)IMes in comparison to IMes. Thus, (CN)(2)IMes should stabilize the catalytically active central palladium atom better than IMes. As a measure for the pi-acceptor strength of (CN)(2)IMes compared to IMes, the selone (CN)(2)IMes center dot Se (7) was prepared and characterized by Se-77-NMR spectroscopy. The pi-acceptor strength of 7 was illuminated by the shift of its Se-77-NMR signal. The Se-77-NMR signal of 7 was shifted to much higher frequencies than the Se-77-NMR signal of IMes center dot Se. Catalytic experiments using the Mizoroki-Heck reaction of aryl chlorides with n-butyl acrylate showed that 6 is the superior performer in comparison to 4. Using complex 6, an extensive substrate screening of 26 different aryl bromides with n-butyl acrylate was performed. Complex 6 is a suitable precatalyst for para-substituted aryl bromides. The catalytically active species was identified by mercury poisoning experiments to be palladium nanoparticles.},
  language  = {en}
}
@article{BaierMetznerKoerzdoerferetal.2014,
  author    = {Baier, Heiko and Metzner, Philipp and K{\"o}rzd{\"o}rfer, Thomas and Kelling, Alexandra and Holdt, Hans-J{\"u}rgen},
  title     = {Efficient palladium(II) precatalysts bearing 4,5-dicyanoimidazol-2-ylidene for the Mizoroki-Heck reaction},
  series = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  journal   = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  number    = {18},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1434-1948},
  doi       = {10.1002/ejic.201402040},
  pages     = {2952 -- 2960},
  year      = {2014},
  abstract  = {The new N-heterocyclic carbene (NHC) complex [PdCl2{(CN)(2)IMes}(PPh3)] (2) ({(CN)(2)IMes}: 4,5-dicyano-1,3-dimesitylimidazol-2-ylidene) and the NHC palladacycle [PdCl(dmba){(CN)(2)IMes}] (3) (dmba: N,N-dimethylbenzylamine) have been synthesized by thermolysis of 4,5-dicyano-1,3-dimesityl-2-(pentafluorophenyl) imidazoline (1) in the presence of suitable palladium(II) precursors. The acyclic complex 2 was formed by ligand exchange using the mononuclear precursor [PdCl2(PPh3)(2)] and the palladacycle 3 was formed by cleavage of the dinuclear chloro-bridged precursor [Pd(mu-Cl)(dmba)](2). The new NHC precursor 1-benzyl-4,5-dicyano-2-(pentafluorophenyl)-3-picolylimidazoline (5) was formed by condensation of pentafluorobenzaldehyde with N-benzyl-N'-picolyldiaminomaleonitrile (4). The NHC palladacycle [PdCl2{(CN)(2)IBzPic}] (6) ({(CN)(2)IBzPic}: 1-benzyl-4,5-dicyano-3-picolylimidazol-2-ylidene) was prepared by in situ thermolysis of 5 in the presence of [PdCl2(PhCN)(2)]. The three palladium(II) complexes were characterized by NMR and IR spectroscopy, mass spectrometry and elemental analysis. In addition, the molecular structures of 2 and 3 were determined by X-ray diffraction. The pi-acidity of (CN)(2)IBzPic was compared with (CN)(2)IMes and perviously reported pi-acidic imidazol-2-ylidenes by NBO analysis. The Mizoroki-Heck (MH) reactions of various aryl halides with n-butyl acrylate were performed in the presence of complexes 2, 3 and 6. The new precatalysts showed high activity in the MH reactions giving good-to-excellent product yields with 0.1 mol-\% pre-catalyst. The nature of the catalytically active species of 2, 3 and 6 was investigated by poisoning experiments with mercury and transmission electron microscopy. It was found that palladium nanoparticles formed from the precatalysts were involved in the catalytic process.},
  language  = {en}
}
@article{BalciAkkayaAkyuzetal.2016,
  author    = {Balci, K. and Akkaya, Y. and Akyuz, S. and Collier, W. B. and Stricker, M. C. and Stover, D. D. and Ritzhaupt, G. and Koch, Andreas and Kleinpeter, Erich},
  title     = {The effects of conformation and zwitterionic tautomerism on the structural and vibrational spectral data of anserine},
  series = {Vibrational spectroscopy : an international journal devoted to applications of infrared and raman spectroscopy},
  volume    = {86},
  journal   = {Vibrational spectroscopy : an international journal devoted to applications of infrared and raman spectroscopy},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0924-2031},
  doi       = {10.1016/j.vibspec.2016.08.003},
  pages     = {277 -- 289},
  year      = {2016},
  abstract  = {In this study, the stable conformers of neutral anserine were searched by molecular dynamics simulations and energy minimization calculations using the MM2 force field. Thermochemical calculations at B3LYP/6-31G(d) level of theory followed these preliminary calculations. The results confirmed that neutral anserine has quite a flexible structure and many stable gauche and trans conformers at room temperature. Nevertheless, two are considerably more favourable in energy than the others and expected to dominate the gas-phase and matrix IR spectra of the molecule. The corresponding structural and vibrational spectral data for these two conformers of neutral anserine, whose relative stabilities were also examined by high-accuracy energy calculations carried out using G3MP2B3 method, and for the most stable conformer of anserine in zwitterion form were calculated at B3LYP/6-311++G(d,p) level of theory. The calculated harmonic force constants were refined using the Scaled Quantum Mechanical Force Field (SQM-FF) method and then used to produce the refined wavenumbers, potential energy distributions (PEDs) and IR and Raman intensities. These refined data together with the scaled harmonic wavenumbers obtained using another method, Dual Scale factors (DS), enabled us to correctly analyse the observed IR and Raman spectra of anserine and revealed the effects of conformation and zwitterionic tautomerism on its structural and vibrational spectral data. (C) 2016 Elsevier B.V. All rights reserved.},
  language  = {en}
}
@article{BalciKochKleinpeter2009,
  author    = {Balci, Kubilay and Koch, Andreas and Kleinpeter, Erich},
  title     = {A theoretical IR spectroscopic study based on DFT calculations for free mn-15S(2)O(3) maleonitrile-dithiacrown ether compound},
  issn      = {0022-2860},
  doi       = {10.1016/j.molstruc.2008.08.027},
  year      = {2009},
  abstract  = {The theoretically possible stable conformers of free mn-15S2O3 maleonitrile-dithiacrown ether molecule were searched by means of a conformational study which consists of molecular dynamics and energy minimization calculations performed with MM2 force field and successive geometry optimization + frequency calculations performed first at B3LYP/3- 21G and then at B3LYP/6-31G(d) levels of theory. The obtained calculation results have clearly indicated that the free molecule in electronic ground state is very flexible and accordingly has many possible stable conformers of different conformational properties at room temperature; among them, the one having a macrocyclic ring structure in which all of the ether units oriented toward the center of the ring was determined the energetically most preferable conformer. In addition, the equilibrium geometrical parameters, vibrational normal modes and associated IR spectral data of the determined most stable three conformers of the molecule were calculated at B3LYP/6-31+G(d) and B3LYP/6-31++G(d,p) levels of theory. A successful assignment of the fundamental bands observed in the recorded experimental solid phase and solution phase IR spectra of the molecule was achieved in the light of the theoretical data obtained from these DFT calculations. To fit the calculated harmonic wavenumbers to the experimental ones, two different scaling procedures, referred to as "Scaled Quantum Mechanical Force Field (SQM FF) methodology" and "Scaling wavenumbers with empirical dual scale factors", were proceeded independently.},
  language  = {en}
}
@article{BalciKochKleinpeter2006,
  author    = {Balci, Kubilay and Koch, Andreas and Kleinpeter, Erich},
  title     = {A comparative vibrational spectroscopic investigation of free mn-12S(2)O(2) and fn-12S(2)O(2) dithiacrown ethers based on DFT calculations},
  issn      = {0022-2860},
  doi       = {10.1016/j.molstruc.2005.10.048},
  year      = {2006},
  abstract  = {A successful assignment for the fundamental bands observed in the experimental IR spectra of mn-12S(2)O(2) and fn-12S(2)O(2) dithiacrown ethers was achieved by the aid of the density functional theory (DFT) based quantum mechanical calculations carried out at the 133LYP/6-31G(d) and B3LYP/6-31 + G(d) level of theory. Two different scaling approaches, '(i) scaled quantum mechanics force field (SQM FF) methodology', and (ii) the 'scaling frequencies with dual empirical scale factors', were used in order to fit the calculated harmonic frequencies to the experimental ones. Potential energy distribution (PED) calculations were carried out to define the internal coordinate contributions to each normal mode and to define the corresponding normal modes of the molecules. The effects of the conformational differences onto the IR active normal modes of the two isomeric molecules and their corresponding experimental frequencies were discussed in the light of the calculated spectral data.},
  language  = {en}
}
@article{BalciYaparAkkayaetal.2012,
  author    = {Balci, Kubilay and Yapar, G. and Akkaya, Y. and Akyuz, S. and Koch, Andreas and Kleinpeter, Erich},
  title     = {A conformational analysis and vibrational spectroscopic investigation on 1,2-bis(o-carboxyphenoxy) ethane molecule},
  series = {Vibrational spectroscopy : an international journal devoted to applications of infrared and raman spectroscopy},
  volume    = {58},
  journal   = {Vibrational spectroscopy : an international journal devoted to applications of infrared and raman spectroscopy},
  number    = {1-2},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0924-2031},
  doi       = {10.1016/j.vibspec.2011.11.011},
  pages     = {27 -- 43},
  year      = {2012},
  abstract  = {The minima on the potential energy surface of 1,2-bis(o-carboxyphenoxy)ethane (CPE) molecule in its electronic ground state were searched by a molecular dynamics simulation performed with MM2 force field. For each of the found minimum-energy conformers, the corresponding equilibrium geometry, charge distribution, HOMO-LUMO energy gap, force field, vibrational normal modes and associated IR and Raman spectral data were determined by means of the density functional theory (DFT) based electronic structure calculations carried out by using B3LYP method and various Pople-style basis sets. The obtained theoretical data confirmed the significant effects of the intra- and inter-molecular hydrogen bonding interactions on the conformational structure, force field, and group vibrations of the molecule. The same data have also revealed that two of the determined stable conformers, both of which exhibit pseudo-crown structure, are considerably more favorable in energy to the others and accordingly provide the major contribution to the experimental spectra of CPE. In the light of the improved vibrational spectral data obtained within the "SQM FF" methodology and "Dual Scale Factors" approach for the monomer and dimer forms of these two conformers, a reliable assignment of the fundamental bands observed in the experimental room-temperature IR and Raman spectra of the molecule was given, and the sensitivities of its group vibrations to conformation, substitution and dimerization were discussed.},
  language  = {en}
}
@article{BaldKellerKopyra2014,
  author    = {Bald, Ilko and Keller, Adrian and Kopyra, Janina},
  title     = {On the role of fluoro-substituted nucleosides in DNA radiosensitization for tumor radiation therapy},
  series = {RSC Advances : an international journal to further the chemical sciences},
  volume    = {4},
  journal   = {RSC Advances : an international journal to further the chemical sciences},
  number    = {13},
  publisher = {Royal Society of Chemistry},
  issn      = {2046-2069},
  doi       = {10.1039/C3RA46735J},
  pages     = {6825 -- 6829},
  year      = {2014},
  abstract  = {Gemcitabine (2′,2′-difluorocytidine) is a well-known radiosensitizer routinely applied in concomitant chemoradiotherapy. During irradiation of biological media with high-energy radiation secondary low-energy (<10 eV) electrons are produced that can directly induce chemical bond breakage in DNA by dissociative electron attachment (DEA). Here, we investigate and compare DEA to the three molecules 2′-deoxycytidine, 2′-deoxy-5-fluorocytidine, and gemcitabine. Fluorination at specific molecular sites, i.e., nucleobase or sugar moiety, is found to control electron attachment and subsequent dissociation pathways. The presence of two fluorine atoms at the sugar ring results in more efficient electron attachment to the sugar moiety and subsequent bond cleavage. For the formation of the dehydrogenated nucleobase anion, we obtain an enhancement factor of 2.8 upon fluorination of the sugar, whereas the enhancement factor is 5.5 when the nucleobase is fluorinated. The observed fragmentation reactions suggest enhanced DNA strand breakage induced by secondary electrons when gemcitabine is incorporated into DNA.},
  language  = {en}
}
@article{BaldSchuermannEbeletal.2019,
  author    = {Bald, Ilko and Sch{\"u}rmann, Robin Mathis and Ebel, Kenny and Nicolas, Christophe and Milosavljevic, Aleksandar R.},
  title     = {Role of valence band states and plasmonic enhancement in electron-transfer-induced transformation of nitrothiophenol},
  series = {The Journal of Physical Chemistry Letters},
  volume    = {10},
  journal   = {The Journal of Physical Chemistry Letters},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1948-7185},
  doi       = {10.1021/acs.jpclett.9b00848},
  pages     = {3153 -- 3158},
  year      = {2019},
  abstract  = {Hot-electron-induced reactions are more and more recognized as a critical and ubiquitous reaction in heterogeneous catalysis. However, the kinetics of these reactions is still poorly understood, which is also due to the complexity of plasmonic nanostructures. We determined the reaction rates of the hot-electron-mediated reaction of 4-nitrothiophenol (NTP) on gold nanoparticles (AuNPs) using fractal kinetics as a function of the laser wavelength and compared them with the plasmonic enhancement of the system. The reaction rates can be only partially explained by the plasmonic response of the NPs. Hence, synchrotron X-ray photoelectron spectroscopy (XPS) measurements of isolated NTP-capped AuNP clusters have been performed for the first time. In this way, it was possible to determine the work function and the accessible valence band states of the NP systems. The results show that besides the plasmonic enhancement, the reaction rates are strongly influenced by the local density of the available electronic states of the system.},
  language  = {en}
}
@article{BaldSolov'yovMasonetal.2020,
  author    = {Bald, Ilko and Solov'yov, Ilia A. and Mason, Nigel J. and Solov'yov, Andrey V.},
  title     = {Special issue},
  series = {The European physical journal. D, Atomic, molecular, optical and plasma physics},
  volume    = {74},
  journal   = {The European physical journal. D, Atomic, molecular, optical and plasma physics},
  number    = {4},
  publisher = {Springer},
  address   = {Berlin},
  issn      = {1434-6060},
  doi       = {10.1140/epjd/e2020-10134-4},
  pages     = {75 -- 82},
  year      = {2020},
  abstract  = {The structure, formation and dynamics of both animate and inanimate matter on the nanoscale are a highly interdisciplinary field of rapidly emerging research engaging a broad community encompassing experimentalists, theorists, and technologists. It is relevant for a large variety of molecular and nanosystems of different origin and composition and concerns numerous phenomena originating from physics, chemistry, biology, or materials science. This Topical Issue presents a collection of original research papers devoted to different aspects of structure and dynamics on the nanoscale. Some of the contributions discuss specific applications of the research results in several modern technologies and in next generation medicine. Most of the works of this topical issue were reported at the Fifth International Conference on Dynamics of Systems on the Nanoscale (DySoN) - the premier forum for the presentation of cutting-edge research in this field that was held in Potsdam, Germany in October of 2018.},
  language  = {en}
}
@article{BalderasValadezAgarwalPacholski2016,
  author    = {Balderas-Valadez, Ruth Fabiola and Agarwal, Vivechana and Pacholski, Claudia},
  title     = {Fabrication of porous silicon-based optical sensors using metal-assisted chemical etching},
  series = {RSC Advances},
  volume    = {6},
  journal   = {RSC Advances},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {2046-2069},
  doi       = {10.1039/c5ra26816h},
  pages     = {21430 -- 21434},
  year      = {2016},
  abstract  = {Optical biosensors based on porous silicon were fabricated by metal assisted chemical etching. Thereby double layered porous silicon structures were obtained consisting of porous pillars with large pores on top of a porous silicon layer with smaller pores. These structures showed a similar sensing performance in comparison to electrochemically produced porous silicon interferometric sensors.},
  language  = {en}
}
@article{BalderasValadezAntunezOliveMendezetal.2017,
  author    = {Balderas-Valadez, Ruth Fabiola and Antunez, E. E. and Olive-Mendez, Sion Federico and Pacholski, Claudia and Campos-Alvarez, Jose and Bokhimi, Xim and Agarwal, V.},
  title     = {Porous silicon pillar and bilayer structure as a nucleation center for the formation of aligned vanadium pentoxide nanorods},
  series = {Ceramics International},
  volume    = {43},
  journal   = {Ceramics International},
  publisher = {Elsevier},
  address   = {Oxford},
  issn      = {0272-8842},
  doi       = {10.1016/j.ceramint.2017.03.114},
  pages     = {8023 -- 8030},
  year      = {2017},
  abstract  = {Porous silicon single layer (PSM), bilayer (PSB) and pillar (PSP) structures have been evaluated as nucleation centers for vanadium pentoxide (V2O5) crystals. Deposition of vanadium precursor over different substrates (drop casting technique), followed by annealing treatment under Ar-H-2 (5\% H-2) atmosphere, induced crystallization of vanadium oxide. With respect to c-Si/SiO2 substrate, V2O5 nanorods with relatively large aspect ratio were formed over and within PSP structures. On the other hand, pores in PSM and PSB were found to be filled with relatively smaller crystals. Additionally, PSB provided a nucleation substrate capable to align the nanocrystals in a preferential orientation, while V2O5 crystals grown on PSP were found to be randomly aligned around the nanoporous pillar microstructure. Nanorods and nanocrystals were identified as V2O5 by temperature-controlled XRD measurements and evidence of their crystalline nature was observed via transmission electron microscopy. A careful analysis of electronic microscopy images allows the identification of the facets composing the ends of the crystals and its corresponding surface free energy has been evaluated employing the Wulff theorem. Such high surface area composite structures have potential applications as cathode material in Lithium-ion batteries.},
  language  = {en}
}