TY  - JOUR
A1  - Mutlu, Hatice
A1  - de Espinosa, Lucas Montero
A1  - Meier, Michael A. R.
T1  - Acyclic diene metathesis a versatile tool for the construction of defined polymer architectures
JF  - Chemical Society reviews
N2  - Two decades have passed since the metathesis polymerisation of alpha,omega-dienes was successfully demonstrated by the group of Wagener and the term acyclic diene metathesis (ADMET) polymerisation was coined. Since then, the advances of metathesis chemistry have allowed to expand the scope of this versatile polymerisation reaction that nowadays finds applications in different fields, such as polymer, material, or medicinal chemistry. This critical review provides an insight into the historical aspects of ADMET and a detailed overview of the work done to date applying this versatile polymerisation reaction (221 references).
Y1  - 2011
U6  - https://doi.org/10.1039/b924852h
SN  - 0306-0012
VL  - 40
IS  - 3
SP  - 1404
EP  - 1445
PB  - Royal Society of Chemistry
CY  - Cambridge
ER  - 
TY  - JOUR
A1  - Kita-Tokarczyk, Katarzyna
A1  - Junginger, Mathias
A1  - Belegrinou, Serena
A1  - Taubert, Andreas
ED  - Muller, AHE
ED  - Borisov, O
T1  - Amphiphilic polymers at interfaces
JF  - Advances in polymer science
JF  - Advances in Polymer Science
N2  - Self-assembly phenomena in block copolymer systems are attracting considerable interest from the scientific community and industry alike. Particularly interesting is the behavior of amphiphilic copolymers, which can self-organize into nanoscale-sized objects such as micelles, vesicles, or tubes in solution, and which form well-defined assemblies at interfaces such as air-liquid, air-solid, or liquid-solid. Depending on the polymer chemistry and architecture, various types of organization at interfaces can be expected, and further exploited for applications in nanotechnology, electronics, and biomedical sciences.
 In this article, we discuss the formation and characterization of Langmuir monolayers from various amphiphilic block copolymers, including chargeable and thus pH-responsivematerials. Solid-supported polymer films are reviewed in the context of alteration of surface properties by ultrathin polymer layers and the possibilities for application in tissue engineering, sensors and biomaterials. Finally, we focus on how organic and polymer monolayers influence the growth of inorganic materials. This is a truly biomimetic approach since Nature uses soft interfaces to control the nucleation, growth, and morphology of biominerals such as calcium phosphate, calcium carbonate, and silica.
KW  - Amphiphilic polymers
KW  - Langmuir monolayers
KW  - Polymers on surfaces
KW  - Bio-inspired mineralization
Y1  - 2011
SN  - 978-3-642-22297-9
U6  - https://doi.org/10.1007/12_2010_58
SN  - 0065-3195
VL  - 242
IS  - 1
SP  - 151
EP  - 201
PB  - Springer
CY  - Berlin
ER  - 
TY  - JOUR
A1  - Heck, Christian
A1  - Michaeli, Yael
A1  - Bald, Ilko
A1  - Ebenstein, Yuval
T1  - Analytical epigenetics
BT  - single-molecule optical detection of DNA and histone modifications
JF  - Current Opinion in Biotechnology
N2  - The field of epigenetics describes the relationship between genotype and phenotype, by regulating gene expression without changing the canonical base sequence of DNA. It deals with molecular genomic information that is encoded by a rich repertoire of chemical modifications and molecular interactions. This regulation involves DNA, RNA and proteins that are enzymatically tagged with small molecular groups that alter their physical and chemical properties. It is now clear that epigenetic alterations are involved in development and disease, and thus, are the focus of intensive research. The ability to record epigenetic changes and quantify them in rare medical samples is critical for next generation diagnostics. Optical detection offers the ultimate single-molecule sensitivity and the potential for spectral multiplexing. Here we review recent progress in ultrasensitive optical detection of DNA and histone modifications.
Y1  - 2018
U6  - https://doi.org/10.1016/j.copbio.2018.09.006
SN  - 0958-1669
SN  - 1879-0429
VL  - 55
SP  - 151
EP  - 158
PB  - Elsevier
CY  - London
ER  - 
TY  - JOUR
A1  - Suriyanarayanan, Subramanian
A1  - Cywinski, Piotr J.
A1  - Moro, Artur J.
A1  - Mohr, Gerhard J.
A1  - Kutner, Wlodzimierz
ED  - Haupt, K
T1  - Chemosensors based on molecularly imprinted polymers
JF  - Topics in current chemistry
JF  - Topics in Current Chemistry
Y1  - 2012
SN  - 978-3-642-28421-2
U6  - https://doi.org/10.1007/128_2010_92
SN  - 0340-1022
VL  - 325
IS  - 4
SP  - 165
EP  - 265
PB  - Springer
CY  - Berlin
ER  - 
TY  - JOUR
A1  - Unuabonah, Emmanuel I.
A1  - Taubert, Andreas
T1  - Clay-polymer nanocomposites (CPNs): Adsorbents of the future for water treatment
JF  - Applied clay science : an international journal on the application and technology of clays and clay minerals
N2  - A class of adsorbents currently receiving growing attention is the clay-polymer nanocomposite (CPN) adsorbents. CPNs effectively treat water by adsorption and flocculation of both inorganic and organic micropollutants from aqueous solutions. Some of these CPNs - when modified with biocides - also have the ability to efficiently remove microorganisms such as Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus and Candida albicans from water. CPNs are far more easily recovered from aqueous media than neat clay. They also exhibit far better treatment times than either polymer or clay adsorbents. They have higher adsorption capacity and better life cycles compared with clay alone. CPNs therefore show an excellent potential as highly efficient water and waste treatment agents.
 This article reviews the various CPNs that have been prepared recently and used as adsorbents in the removal of micropollutants (inorganic, organic and biological) from aqueous solutions. A special focus is placed on CPNs that are not only interesting from an academic point of view but also effectively reduce the concentration of micropollutants in water to safe limits and also on new developments bordering on CPN use as water treatment agent that have not yet realized their full potential. (C) 2014 Elsevier B.V. All rights reserved.
KW  - Clay-polymer nanocomposite - CPN
KW  - Micropollutants
KW  - Adsorbent
KW  - Water treatment
KW  - Microorganism
KW  - Desorption
Y1  - 2014
U6  - https://doi.org/10.1016/j.clay.2014.06.016
SN  - 0169-1317
SN  - 1872-9053
VL  - 99
SP  - 83
EP  - 92
PB  - Elsevier
CY  - Amsterdam
ER  - 
TY  - JOUR
A1  - Mota, Cristiano
A1  - Coelho, Catarina
A1  - Leimkühler, Silke
A1  - Garattini, Enrico
A1  - Terao, Mineko
A1  - Santos-Silva, Teresa
A1  - Romao, Maria Joao
T1  - Critical overview on the structure and metabolism of human aldehyde oxidase and its role in pharmacokinetics
JF  - Coordination chemistry reviews
N2  - Aldehyde oxidases are molybdenum and flavin dependent enzymes characterized by a very wide substrate specificity and performing diverse reactions that include oxidations (e.g., aldehydes and azaheterocycles), hydrolysis of amide bonds, and reductions (e.g., nitro, S-oxides and N-oxides). Oxidation reactions and amide hydrolysis occur at the molybdenum site while the reductions are proposed to occur at the flavin site. AOX activity affects the metabolism of different drugs and xenobiotics, some of which designed to resist other liver metabolizing enzymes (e.g., cytochrome P450 monooxygenase isoenzymes), raising its importance in drug development. This work consists of a comprehensive overview on aldehyde oxidases, concerning the genetic evolution of AOX, its diversity among the human population, the crystal structures available, the known catalytic reactions and the consequences in pre-clinical pharmacokinetic and pharmacodynamic studies. Analysis of the different animal models generally used for pre-clinical trials and comparison between the human (hAOX1), mouse homologs as well as the related xanthine oxidase (XOR) are extensively considered. The data reviewed also include a systematic analysis of representative classes of molecules that are hAOX1 substrates as well as of typical and well characterized hAOX1 inhibitors. The considerations made on the basis of a structural and functional analysis are correlated with reported kinetic and metabolic data for typical classes of drugs, searching for potential structural determinants that may dictate substrate and/or inhibitor specificities.
KW  - Drug metabolism
KW  - Aldehyde oxidase
KW  - Xenobiotics
KW  - Molybdoenzymes
KW  - Non-CYP enzymes
KW  - Hepatic clearance
Y1  - 2018
U6  - https://doi.org/10.1016/j.ccr.2018.04.006
SN  - 0010-8545
SN  - 1873-3840
VL  - 368
SP  - 35
EP  - 59
PB  - Elsevier
CY  - Lausanne
ER  - 
TY  - JOUR
A1  - Yarman, Aysu
A1  - Kurbanoglu, Sevinc
A1  - Jetzschmann, Katharina J.
A1  - Ozkan, Sibel A.
A1  - Wollenberger, Ulla
A1  - Scheller, Frieder W.
T1  - Electrochemical MIP-Sensors for Drugs
JF  - Current Medicinal Chemistry
N2  - In order to replace bio-macromolecules by stable synthetic materials in separation techniques and bioanalysis biomimetic receptors and catalysts have been developed: Functional monomers are polymerized together with the target analyte and after template removal cavities are formed in the "molecularly imprinted polymer" (MIP) which resemble the active sites of antibodies and enzymes. Starting almost 80 years ago, around 1,100 papers on MIPs were published in 2016. Electropolymerization allows to deposit MIPs directly on voltammetric electrodes or chips for quartz crystal microbalance (QCM) and surface plasmon resonance (SPR). For the readout of MIPs for drugs amperometry, differential pulse voltammetry (DPV) and impedance spectroscopy (EIS) offer higher sensitivity as compared with QCM or SPR. Application of simple electrochemical devices allows both the reproducible preparation of MIP sensors, but also the sensitive signal generation. Electrochemical MIP-sensors for the whole arsenal of drugs, e.g. the most frequently used analgesics, antibiotics and anticancer drugs have been presented in literature and tested under laboratory conditions. These biomimetic sensors typically have measuring ranges covering the lower nano-up to millimolar concentration range and they are stable under extreme pH and in organic solvents like nonaqueous extracts.
KW  - Biomimetic sensors
KW  - molecularly imprinted polymers
KW  - drug sensors
KW  - drug imprinting
KW  - electropolymerization
KW  - electrochemical sensors
Y1  - 2018
U6  - https://doi.org/10.2174/0929867324666171005103712
SN  - 0929-8673
SN  - 1875-533X
VL  - 25
IS  - 33
SP  - 4007
EP  - 4019
PB  - Bentham Science Publishers LTD
CY  - Sharjah
ER  - 
TY  - JOUR
A1  - Taubert, Andreas
T1  - Electrospinning of Ionogels: Current Status and Future Perspectives
JF  - European journal of inorganic chemistry : a journal of ChemPubSoc Europe
N2  - Ionogels (IGs), also termed ion gels, are functional hybrid materials based on an ionic liquid (IL) and a polymeric, hybrid, or inorganic matrix. IGs combine the properties of the matrix such as mechanical strength with IL properties like high ionic conductivity, high thermal stability, or catalytic activity. IGs are thus attractive for many applications, but the vast majority of IGs made and published so far are bulk materials or dense films. Applications like sensing or catalysis, however, would benefit from IGs with high surface areas or defined surface morphologies or architectures. In spite of this, only relatively few examples of high-surface-area IGs have been made so far; this has mostly been achieved by electrospinning, which has proven to be a promising strategy towards advanced IGs. The current review discusses first developments and outlines the future potential of electrospun ionogels, predominantly from a materials and inorganic chemistry perspective.
KW  - Ionic liquids
KW  - Ionogels
KW  - Hybrid materials
KW  - Electrospinning
KW  - Heterogeneous catalysis
KW  - Sensors
KW  - Energy
KW  - Health
Y1  - 2015
U6  - https://doi.org/10.1002/ejic.201402490
SN  - 1434-1948
SN  - 1099-0682
IS  - 7
SP  - 1148
EP  - 1159
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Schöne, Anne-Christin
A1  - Roch, Toralf
A1  - Schulz, Burkhard
A1  - Lendlein, Andreas
T1  - Evaluating polymeric biomaterial-environment interfaces by Langmuir monolayer techniques
JF  - Interface : journal of the Royal Society
N2  - Polymeric biomaterials are of specific relevance in medical and pharmaceutical applications due to their wide range of tailorable properties and functionalities. The knowledge about interactions of biomaterials with their biological environment is of crucial importance for developing highly sophisticated medical devices. To achieve optimal in vivo performance, a description at the molecular level is required to gain better understanding about the surface of synthetic materials for tailoring their properties. This is still challenging and requires the comprehensive characterization of morphological structures, polymer chain arrangements and degradation behaviour. The review discusses selected aspects for evaluating polymeric biomaterial-environment interfaces by Langmuir monolayer methods as powerful techniques for studying interfacial properties, such as morphological and degradation processes. The combination of spectroscopic, microscopic and scattering methods with the Langmuir techniques adapted to polymers can substantially improve the understanding of their in vivo behaviour.
KW  - Langmuir monolayer
KW  - biodegradable polymers
KW  - air - water interface
KW  - protein Langmuir layers
Y1  - 2017
U6  - https://doi.org/10.1098/rsif.2016.1028
SN  - 1742-5689
SN  - 1742-5662
VL  - 14
PB  - Royal Society
CY  - London
ER  - 
TY  - JOUR
A1  - Bandrauk, Andre D.
A1  - Paramonov, Guennaddi K.
T1  - Excitation of muonic molecules dd mu and dt mu by super-intense attosecond soft X-ray laser pulses: Shaped post-laser-pulse muonic oscillations and enhancement of nuclear fusion
JF  - International journal of modern physics : E, Nuclear physics
N2  - The quantum dynamics of muonic molecular ions dd mu and dt mu excited by linearly polarized along the molecular (z)-axis super-intense laser pulses is studied beyond the Born-Oppenheimer approximation by the numerical solution of the time-dependent Schrodinger equation within a three-dimensional model, including the internuclear distance R and muon coordinates z and rho. The peak-intensity of the super-intense laser pulses used in our simulations is I-0 = 3.51 x 10(22) W/cm(2) and the wavelength is lambda(l) = 5nm. In both dd mu and dt mu, expectation values < z > and <rho > of muon demonstrate "post-laser-pulse" oscillations after the ends of the laser pulses. In dd mu post-laser-pulse z-oscillations appear as shaped nonoverlapping "echo-pulses". In dt mu post-laser-pulse muonic z-oscillations appear as comparatively slow large-amplitude oscillations modulated with small-amplitude pulsations. The post-laser-pulse rho-oscillations in both dd mu and dt mu appear, for the most part, as overlapping "echo-pulses". The post-laser-pulse oscillations do not occur if the Born-Oppenheimer approximation is employed. Power spectra generated due to muonic motion along both optically active z and optically passive rho degrees of freedom are calculated. The fusion probability in dt mu can be increased by more than 11 times by making use of three sequential super-intense laser pulses. The energy released from the dt fusion in dt mu can by more than 20 GeV exceed the energy required to produce a usable muon and the energy of the laser pulses used to enhance the fusion. The possibility of power production from the laser-enhanced muon-catalyzed fusion is discussed.
KW  - Muonic molecules
KW  - super-intense laser pulses
KW  - laser-enhanced nuclear fusion
Y1  - 2014
U6  - https://doi.org/10.1142/S0218301314300148
SN  - 0218-3013
SN  - 1793-6608
VL  - 23
IS  - 9
PB  - World Scientific
CY  - Singapore
ER  - 
TY  - JOUR
A1  - Braune, Steffen
A1  - Latour, Robert A.
A1  - Reinthaler, Markus
A1  - Landmesser, Ulf
A1  - Lendlein, Andreas
A1  - Jung, Friedrich
T1  - In Vitro Thrombogenicity Testing of Biomaterials
JF  - Advanced healthcare materials
N2  - The short- and long-term thrombogenicity of implant materials is still unpredictable, which is a significant challenge for the treatment of cardiovascular diseases. A knowledge-based approach for implementing biofunctions in materials requires a detailed understanding of the medical device in the biological system. In particular, the interplay between material and blood components/cells as well as standardized and commonly acknowledged in vitro test methods allowing a reproducible categorization of the material thrombogenicity requires further attention. Here, the status of in vitro thrombogenicity testing methods for biomaterials is reviewed, particularly taking in view the preparation of test materials and references, the selection and characterization of donors and blood samples, the prerequisites for reproducible approaches and applied test systems. Recent joint approaches in finding common standards for a reproducible testing are summarized and perspectives for a more disease oriented in vitro thrombogenicity testing are discussed.
KW  - biomaterials
KW  - blood tests
KW  - implants
KW  - in vitro
KW  - thrombogenicity
Y1  - 2019
U6  - https://doi.org/10.1002/adhm.201900527
SN  - 2192-2640
SN  - 2192-2659
VL  - 8
IS  - 21
PB  - Wiley
CY  - Hoboken
ER  - 
TY  - JOUR
A1  - Ast, Sandra
A1  - Fischer, Tobias
A1  - Müller, Holger
A1  - Mickler, Wulfhard
A1  - Schwichtenberg, Mathias
A1  - Rurack, Knut
A1  - Holdt, Hans-Jürgen
T1  - Integration of the 1,2,3-Triazole "Click" Motif as a potent signalling element in metal ion responsive fluorescent probes
JF  - Chemistry - a European journal
N2  - In a systematic approach we synthesized a new series of fluorescent probes incorporating donoracceptor (D-A) substituted 1,2,3-triazoles as conjugative -linkers between the alkali metal ion receptor N-phenylaza-[18]crown-6 and different fluorophoric groups with different electron-acceptor properties (4-naphthalimide, meso-phenyl-BODIPY and 9-anthracene) and investigated their performance in organic and aqueous environments (physiological conditions). In the charge-transfer (CT) type probes 1, 2 and 7, the fluorescence is almost completely quenched by intramolecular CT (ICT) processes involving charge-separated states. In the presence of Na+ and K+ ICT is interrupted, which resulted in a lighting-up of the fluorescence in acetonitrile. Among the investigated fluoroionophores, compound 7, which contains a 9-anthracenyl moiety as the electron-accepting fluorophore, is the only probe which retains light-up features in water and works as a highly K+/Na+-selective probe under simulated physiological conditions. Virtually decoupled BODIPY-based 6 and photoinduced electron transfer (PET) type probes 35, where the 10-substituted anthracen-9-yl fluorophores are connected to the 1,2,3-triazole through a methylene spacer, show strong ion-induced fluorescence enhancement in acetonitrile, but not under physiological conditions. Electrochemical studies and theoretical calculations were used to assess and support the underlying mechanisms for the new ICT and PET 1,2,3-triazole fluoroionophores.
KW  - charge transfer
KW  - click chemistry
KW  - electron transfer
KW  - fluorescent probes
KW  - metal ions
Y1  - 2013
U6  - https://doi.org/10.1002/chem.201201575
SN  - 0947-6539
VL  - 19
IS  - 9
SP  - 2990
EP  - 3005
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Hu, Shuangyan
A1  - Zhao, Junpeng
A1  - Zhang, Guangzhao
A1  - Schlaad, Helmut
T1  - Macromolecular architectures through organocatalysis
JF  - Progress in Polymer Science
N2  - In virtue of the rising demand for metal-free polymeric materials, organocatalytic polymerization has emerged and blossomed unprecedentedly in the past 15 years into an appealing research area and a powerful arsenal for polymer synthesis. In addition to the inherent merits as being metal-free, small molecule organocatalysts have also provided opportunities to develop alternative and, in many cases, more expedient synthetic approaches toward macromolecular architectures, that play a crucial role in shaping the properties of the obtained polymers. A majority of preliminary studies exploring for new catalysts, catalytic mechanisms and optimized polymerization conditions are extended to application of the catalytic systems on rational design and controlled synthesis of various macromolecular architectures. Such endeavors are described in this review, categorized by the architectural elements including chain structure (types, sequence and composition of monomeric units constituting the polymer chains), topological structure (the fashion different polymer chains are covalently attached to each other within the macromolecule) and functionality (position and amount of functional groups that endow the entire macromolecule with specific chemical, physico-chemical or biological properties). (C) 2017 Published by Elsevier B.V.
KW  - Organocatalytic polymerization
KW  - Metal-free polymerization
KW  - Macromolecular architecture
KW  - Controlled polymer synthesis
Y1  - 2017
U6  - https://doi.org/10.1016/j.progpolymsci.2017.07.002
SN  - 0079-6700
SN  - 1873-1619
VL  - 74
SP  - 34
EP  - 77
PB  - Elsevier
CY  - Oxford
ER  - 
TY  - JOUR
A1  - Duvinage, Brigitte
T1  - Materialien-Handbuch Kursunterricht Chemie, Bd. 3. Kinetik, Gleichgewichte, Massenwirkungsgesetz
Y1  - 1995
ER  - 
TY  - JOUR
A1  - Bald, Ilko
A1  - Keller, Adrian
T1  - Molecular processes studied at a single-molecule level using DNA origami nanostructures and atomic force microscopy
JF  - Molecules
N2  - DNA origami nanostructures allow for the arrangement of different functionalities such as proteins, specific DNA structures, nanoparticles, and various chemical modifications with unprecedented precision. The arranged functional entities can be visualized by atomic force microscopy (AFM) which enables the study of molecular processes at a single-molecular level. Examples comprise the investigation of chemical reactions, electron-induced bond breaking, enzymatic binding and cleavage events, and conformational transitions in DNA. In this paper, we provide an overview of the advances achieved in the field of single-molecule investigations by applying atomic force microscopy to functionalized DNA origami substrates.
KW  - DNA origami
KW  - atomic force microscopy
KW  - single-molecule analysis
KW  - DNA radiation damage
KW  - protein binding
KW  - enzyme reactions
KW  - G quadruplexes
Y1  - 2014
U6  - https://doi.org/10.3390/molecules190913803
SN  - 1420-3049
VL  - 19
IS  - 9
SP  - 13803
EP  - 13823
PB  - MDPI
CY  - Basel
ER  - 
TY  - JOUR
A1  - Bleek, Katrin
A1  - Taubert, Andreas
T1  - New developments in polymer-controlled, bioinspired calcium phosphate mineralization from aqueous solution
JF  - Acta biomaterialia
N2  - The polymer-controlled and bioinspired precipitation of inorganic minerals from aqueous solution at near-ambient or physiological conditions avoiding high temperatures or organic solvents is a key research area in materials science. Polymer-controlled mineralization has been studied as a model for biomineralization and for the synthesis of (bioinspired and biocompatible) hybrid materials for a virtually unlimited number of applications. Calcium phosphate mineralization is of particular interest for bone and dental repair. Numerous studies have therefore addressed the mineralization of calcium phosphate using a wide variety of low- and high-molecular-weight additives. In spite of the growing interest and increasing number of experimental and theoretical data, the mechanisms of polymer-controlled calcium phosphate mineralization are not entirely clear to date, although the field has made significant progress in the last years. A set of elegant experiments and calculations has shed light on some details of mineral formation, but it is currently not possible to preprogram a mineralization reaction to yield a desired product for a specific application. The current article therefore summarizes and discusses the influence of (macro)molecular entities such as polymers, peptides, proteins and gels on biomimetic calcium phosphate mineralization from aqueous solution. It focuses on strategies to tune the kinetics, morphologies, final dimensions and crystal phases of calcium phosphate, as well as on mechanistic considerations.
KW  - Calcium phosphate
KW  - Biomimetics
KW  - Mineralization
KW  - Polymers
KW  - Bioinspired
Y1  - 2013
U6  - https://doi.org/10.1016/j.actbio.2012.12.027
SN  - 1742-7061
SN  - 1878-7568
VL  - 9
IS  - 5
SP  - 6283
EP  - 6321
PB  - Elsevier
CY  - Oxford
ER  - 
TY  - JOUR
A1  - Wolff, Christian Michael
A1  - Caprioglio, Pietro
A1  - Stolterfoht, Martin
A1  - Neher, Dieter
T1  - Nonradiative Recombination in Perovskite Solar Cells
BT  - the Role of Interfaces
JF  - Advanced materials
N2  - Perovskite solar cells combine high carrier mobilities with long carrier lifetimes and high radiative efficiencies. Despite this, full devices suffer from significant nonradiative recombination losses, limiting their V-OC to values well below the Shockley-Queisser limit. Here, recent advances in understanding nonradiative recombination in perovskite solar cells from picoseconds to steady state are presented, with an emphasis on the interfaces between the perovskite absorber and the charge transport layers. Quantification of the quasi-Fermi level splitting in perovskite films with and without attached transport layers allows to identify the origin of nonradiative recombination, and to explain the V-OC of operational devices. These measurements prove that in state-of-the-art solar cells, nonradiative recombination at the interfaces between the perovskite and the transport layers is more important than processes in the bulk or at grain boundaries. Optical pump-probe techniques give complementary access to the interfacial recombination pathways and provide quantitative information on transfer rates and recombination velocities. Promising optimization strategies are also highlighted, in particular in view of the role of energy level alignment and the importance of surface passivation. Recent record perovskite solar cells with low nonradiative losses are presented where interfacial recombination is effectively overcome-paving the way to the thermodynamic efficiency limit.
KW  - interfacial recombination
KW  - open-circuit voltage
KW  - perovskite solar cells
KW  - photoluminescence
Y1  - 2019
U6  - https://doi.org/10.1002/adma.201902762
SN  - 0935-9648
SN  - 1521-4095
VL  - 31
IS  - 52
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Ast, Cindy
A1  - Schmälzlin, Elmar
A1  - Löhmannsröben, Hans-Gerd
A1  - van Dongen, Joost T.
T1  - Optical oxygen micro- and nanosensors for plant applications
JF  - Sensors
N2  - Pioneered by Clark's microelectrode more than half a century ago, there has been substantial interest in developing new, miniaturized optical methods to detect molecular oxygen inside cells. While extensively used for animal tissue measurements, applications of intracellular optical oxygen biosensors are still scarce in plant science. A critical aspect is the strong autofluorescence of the green plant tissue that interferes with optical signals of commonly used oxygen probes. A recently developed dual-frequency phase modulation technique can overcome this limitation, offering new perspectives for plant research. This review gives an overview on the latest optical sensing techniques and methods based on phosphorescence quenching in diverse tissues and discusses the potential pitfalls for applications in plants. The most promising oxygen sensitive probes are reviewed plus different oxygen sensing structures ranging from micro-optodes to soluble nanoparticles. Moreover, the applicability of using heterologously expressed oxygen binding proteins and fluorescent proteins to determine changes in the cellular oxygen concentration are discussed as potential non-invasive cellular oxygen reporters.
KW  - oxygen sensor
KW  - biosensors
KW  - microsensors
KW  - nanosensors
KW  - endogenous sensor proteins
KW  - dual-frequency phase-modulation
KW  - phosphorescence quenching
KW  - plant science
Y1  - 2012
U6  - https://doi.org/10.3390/s120607015
SN  - 1424-8220
VL  - 12
IS  - 6
SP  - 7015
EP  - 7032
PB  - MDPI
CY  - Basel
ER  - 
TY  - JOUR
A1  - Körzdörfer, Thomas
A1  - Bredas, Jean-Luc
T1  - Organic electronic materials: recent advances in the DFT description of the ground and excited states using tuned range-separated hybrid functionals
JF  - Accounts of chemical research
N2  - CONSPECTUS: Density functional theory (DFT) and its time-dependent extension (TD-DFT) are powerful tools enabling the theoretical prediction of the ground- and excited-state properties of organic electronic materials with reasonable accuracy at affordable computational costs. Due to their excellent accuracy-to-numerical-costs ratio, semilocal and global hybrid functionals such as B3LYP have become the workhorse for geometry optimizations and the prediction of vibrational spectra in modern theoretical organic chemistry. Despite the overwhelming success of these out-of-the-box functionals for such applications, the computational treatment of electronic and structural properties that are of particular interest in organic electronic materials sometimes reveals severe and qualitative failures of such functionals. Important examples include the overestimation of conjugation, torsional barriers, and electronic coupling as well as the underestimation of bond-length alternations or excited-state energies in low-band-gap polymers.
 In this Account, we highlight how these failures can be traced back to the delocalization error inherent to semilocal and global hybrid functionals, which leads to the spurious delocalization of electron densities and an overestimation of conjugation. The delocalization error for systems and functionals of interest can be quantified by allowing for fractional occupation of the highest occupied molecular orbital. It can be minimized by using long-range corrected hybrid functionals and a nonempirical tuning procedure for the range-separation parameter.
 We then review the benefits and drawbacks of using tuned long-range corrected hybrid functionals for the description of the ground and excited states of pi-conjugated systems. In particular, we show that this approach provides for robust and efficient means of characterizing the electronic couplings in organic mixed-valence systems, for the calculation of accurate torsional barriers at the polymer limit, and for the reliable prediction of the optical absorption spectrum of low-band-gap polymers. We also explain why the use of standard, out-of-the-box range-separation parameters is not recommended for the DFT and/or TD-DFT description of the ground and excited states of extended, pi-conjugated systems. Finally, we highlight a severe drawback of tuned range-separated hybrid functionals by discussing the example of the calculation of bond-length alternation in polyacetylene, which leads us to point out the challenges for future developments in this field.
Y1  - 2014
U6  - https://doi.org/10.1021/ar500021t
SN  - 0001-4842
SN  - 1520-4898
VL  - 47
IS  - 11
SP  - 3284
EP  - 3291
PB  - American Chemical Society
CY  - Washington
ER  - 
TY  - JOUR
A1  - Gangloff, Niklas
A1  - Ulbricht, Juliane
A1  - Lorson, Thomas
A1  - Schlaad, Helmut
A1  - Luxenhofer, Robert
T1  - Peptoids and Polypeptoids at the Frontier of Supra- and Macromolecular Engineering
JF  - Chemical reviews
Y1  - 2016
U6  - https://doi.org/10.1021/acs.chemrev.5b00201
SN  - 0009-2665
SN  - 1520-6890
VL  - 116
SP  - 1753
EP  - 1802
PB  - American Chemical Society
CY  - Washington
ER  -