Consequences of cooperativity in racemizing supramolecular systems

Saluting the sergeant: Phg-BTA (see scheme) cooperatively self-assembles into helical aggregates and shows unprecedented racemization behavior in the presence of base. In thermodynamically controlled conditions, the addition of a small amount of chiral auxiliary to this mixture results in a deracemization reaction and a final enantiomeric excess of 32?%. A theoretical model is presented to understand in detail the results obtained.     

Fast iterative interior eigensolver for millions of atoms

We show that a combination of the Generalized Davidson method and harmonic Ritz values (called harmonic Davidson) is well-suited for solving large interior eigenvalue problems using a plane wave basis. The algorithm enables us to calculate impurity and band edge states for systems of 100,000 atoms in about one day on 32 cores. We demonstrate the capabilities of the method by calculating the electronic states of a large GaAs quantum dot embedded in an AlAs matrix.     

Light harvesting tetrafullerene nanoarray for organic solar cells

A light absorbing pi-conjugated oligomer-tetrafullerene nanoarray has been synthesized and its photophysical study reveals the presence of an intramolecular energy transfer. A phototovoltaic device fabricated from this nanoarray and poly(3-hexylthiophene) shows an external quantum efficiency of 15% at 500 nm.     

Photogeneration and decay of charge carriers in hybrid bulk heterojunctions of ZnO nanoparticles and conjugated polymers

The photogeneration and decay of charge carriers in blend films of ZnO nanoparticles (diameter 5 nm) and poly[2-methoxy-5-(3',7'-dimethyloctyloxy)-1,4-phenylenevinylene] (MDMO-PPV) or poly(3-hexylthiophene) (P3HT) were studied by means of microwave-photoconductance measurements. Excitation of the polymer in the visible spectrum was found to lead to a transient photoconductance due to dissociation of excitons at the interface between ZnO and the conjugated polymer. From the similar decay kinetics of the photoconductance and the effects of UV illumination, it is concluded that the measured photoconductance is due to electrons in ZnO. Increasing the weight fraction of ZnO in the blend films leads to a higher photoconductance. This is attributed to enhanced formation of mobile electrons by interfacial dissociation of excitons at clusters of ZnO nanoparticles rather than at individual nanoparticles. The dependence of the photoconductance on the weight fraction of ZnO is found to be different for ZnO:MDMO-PPV and ZnO:P3HT blends. This is most likely due to the presence of a smaller number of relatively large ZnO clusters in ZnO:P3HT blends and a shorter exciton diffusion length, as compared with ZnO:MDMO-PPV blends. After exposure of the blend films to UV light, a significant increase in the magnitude and the lifetime of the photoconductance is observed. This is explained in terms of the filling of electron traps in ZnO by UV exposure.     

Probing the electronic structure and conformational flexibility of individual light-harvesting 3 complexes by optical single-molecule spectroscopy

We present fluorescence-excitation spectra of individual light-harvesting 3 (LH3 or B800-820) complexes of Rhodopseudomonas acidophila at 1.2 K. The optical single-molecule studies were employed to investigate the electronic structure as well as the conformational flexibility of the individual pigment-protein complexes. The optical spectra resemble those of individual light-harvesting 2 (LH2) complexes, in agreement with the structural similarity of both types of complexes. Although variations among the LH3 spectra are large, there is a distinct difference in the spectral features of the 800 and 820 nm region that appears in all the complexes studied. In the B800 region 4-6 narrow bands are present whereas in the B820 region a limited number of relatively broad bands are observed. These observations can generally be interpreted in terms of localized excitations in the 800 nm region and delocalized excitations in the 820 nm region. The observed heterogeneous spectral behavior, especially in the B820 band, indicates that the B820 pigments of LH3 are sensitive to light-induced local conformational changes. It is suggested that a rotation of the C(3)-acetyl chain of a BChl a pigment bound to the beta-subunit of the light-harvesting complex is the origin of the conformational flexibility and affects the optical properties of the whole pigment-protein complex.     

Quantum structure based infrared detector research and development within Acreo’s centre of excellence IMAGIC

Acreo has a long tradition of working with quantum structure based infrared (IR) detectors and arrays. This includes QWIP (quantum well infrared photodetector), QDIP (quantum dot infrared photodetector), and InAs/GaInSb based photon detectors of different structure and composition. It also covers R&D on uncooled microbolometers. The integrated thermistor material of such detectors is advantageously based on quantum structures that are optimised for high temperature coefficient and low noise. Especially the SiGe material system is preferred due to the compatibility with silicon technology. The R&D work on IR detectors is a prominent part of Acreo’s centre of excellence “IMAGIC” on imaging detectors and systems for non-visible wavelengths. IMAGIC is a collaboration between Acreo, several industry partners and universities like the Royal Institute of Technology (KTH) and Linköping University.     

Guided-mode refraction model for optical fiber sensing of surface crystal growth

An empirical "guided-mode refraction model" has been invoked to explain the optical attenuation of radiation in an exposed core optical fiber sensor subject to heterogeneous (surface) crystal growth. Based on Fresnel reflectance values at the internal fiber-crystal and crystal-solution interfaces, the model predictions agree with experimental observations of radial loss of radiation from the fiber core through the crystals as well as attenuation of guided radiation as a function of the radiation launch angle into the fiber.     

Analysis of meeting protocols by formalisation, simulation, and verification

Organizations depend on regular meetings to carry out their everyday tasks. When carried out successfully, meetings offer a common medium for participants to exchange ideas and make decisions. However, many meetings suffer from unfocused discussions or irrelevant dialogues. To study meetings in detail, we first formalize general properties of meetings and a generic meeting protocol to specify how roles in a meeting should interact to realize these properties. This generic protocol is used as a starting point to study real-life meetings. Next, an example meeting is simulated using the generic meeting protocol. The general properties are formally verified in the simulation trace. Next, these properties are also verified formally against empirical data of a real meeting in the same context. A comparison of the two traces reveals that a real meeting is more robust since when exceptions happen and the rules of the protocol are violated, these exceptions are handled effectively. Given this observation, a more refined protocol is specified that includes exception-handling strategies. Based on this refined protocol a meeting is simulated that closely resembles the real meeting. This protocol is then validated against another set of data from another real meeting. By iteratively adding exception handling rules, the protocol is enhanced to handle a variety of situations successfully.     

Fresnel formulation for multi-element lamellar diffraction gratings in conical mountings

A formulation of the modal method for multi-element dielectric lamellar diffraction gratings is presented. It combines the conventional semi-analytic Kronig-Penny formulation with a Fresnel scattering matrix approach to the solution of the diffraction problem. The theory is intuitive, applicable to complex geometries, and provides insight into diffraction grating physics. With the Fresnel matrix extensions the method potentially has greater generality than other formulations, and is applicable to non-trivial waveguide problems, such as characterizing the coupling between 1D photonic crystal waveguides. A numerically stable way of using the modal method for multilayer stacks of lamellar gratings is described.     

Detecting authorized and unauthorized genetically modified organisms containing vip3A by real-time PCR and next-generation sequencing

The growing number of biotech crops with novel genetic elements increasingly complicates the detection of genetically modified organisms (GMOs) in food and feed samples using conventional screening methods. Unauthorized GMOs (UGMOs) in food and feed are currently identified through combining GMO element screening with sequencing the DNA flanking these elements. In this study, a specific and sensitive qPCR assay was developed for vip3A element detection based on the vip3Aa20 coding sequences of the recently marketed MIR162 maize and COT102 cotton. Furthermore, SiteFinding-PCR in combination with Sanger, Illumina or Pacific BioSciences (PacBio) sequencing was performed targeting the flanking DNA of the vip3Aa20 element in MIR162. De novo assembly and Basic Local Alignment Search Tool searches were used to mimic UGMO identification. PacBio data resulted in relatively long contigs in the upstream (1,326 nucleotides (nt); 95 % identity) and downstream (1,135 nt; 92 % identity) regions, whereas Illumina data resulted in two smaller contigs of 858 and 1,038 nt with higher sequence identity (>99 % identity). Both approaches outperformed Sanger sequencing, underlining the potential for next-generation sequencing in UGMO identification.