600 Technik, Technologie
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- 3D printing (2)
- R&D (2)
- additive manufacturing (2)
- dentistry (2)
- prosthodontics (2)
- ranking type Delphi study (2)
- CZTSe (1)
- CsPbI2Br (1)
- Cu-Zn disorder (1)
- Cu2ZnSnSe4 (1)
Fragmentation of peptides leaves characteristic patterns in mass spectrometry data, which can be used to identify protein sequences, but this method is challenging for mutated or modified sequences for which limited information exist. Altenburg et al. use an ad hoc learning approach to learn relevant patterns directly from unannotated fragmentation spectra.
Mass spectrometry-based proteomics provides a holistic snapshot of the entire protein set of living cells on a molecular level. Currently, only a few deep learning approaches exist that involve peptide fragmentation spectra, which represent partial sequence information of proteins.
Commonly, these approaches lack the ability to characterize less studied or even unknown patterns in spectra because of their use of explicit domain knowledge.
Here, to elevate unrestricted learning from spectra, we introduce 'ad hoc learning of fragmentation' (AHLF), a deep learning model that is end-to-end trained on 19.2 million spectra from several phosphoproteomic datasets. AHLF is interpretable, and we show that peak-level feature importance values and pairwise interactions between peaks are in line with corresponding peptide fragments.
We demonstrate our approach by detecting post-translational modifications, specifically protein phosphorylation based on only the fragmentation spectrum without a database search. AHLF increases the area under the receiver operating characteristic curve (AUC) by an average of 9.4% on recent phosphoproteomic data compared with the current state of the art on this task.
Furthermore, use of AHLF in rescoring search results increases the number of phosphopeptide identifications by a margin of up to 15.1% at a constant false discovery rate. To show the broad applicability of AHLF, we use transfer learning to also detect cross-linked peptides, as used in protein structure analysis, with an AUC of up to 94%.
In this paper, the phenomenon of light-driven diffusioosmotic (DO) long-range attractive and repulsive interactions between micro-sized objects trapped near a solid wall is investigated. The range of the DO flow extends several times the size of microparticles and can be adjusted to point towards or away from the particle by varying irradiation parameters such as intensity or wavelength of light. The "fuel" of the light-driven DO flow is a photosensitive surfactant which can be photo-isomerized between trans and cis-states. The trans-isomer tends to accumulate at the interface, while the cis-isomer prefers to stay in solution. In combination with a dissimilar photo-isomerization rate at the interface and in bulk, this yields a concentration gradient of the isomers around single particles resulting in local light-driven diffusioosmotic (l-LDDO) flow. Here, the extended analysis of the l-LDDO flow as a function of irradiation parameters by introducing time-dependent development of the concentration excess of isomers near the particle surface is presented. It is also demonstrated that the l-LDDO can be generated at any solid/liquid interface being more pronounced in the case of strongly absorbing material. This phenomenon has plenty of potential applications since it makes any type of surface act as a micropump.
Today, firms pursuing a pioneering strategy are often engaged in supply chain relationships to benefit from external resources and to improve their innovation. However, this effort can be impeded by power asymmetries in such relationships and especially by the execution of coercive power by their partner firm. Contracts could potentially reduce this risk of opportunistic behavior. Our survey study on 778 small to medium-sized enterprises in the European packaging and medical equipment industries examines how coercive power of the partner and the contractual arrangement between firms moderate the pioneering strategy's innovation outcomes in the short and long run. Our results confirm the negative effect of coercive power on innovation performance in both the short and long term. However, the compensating effect of rather complete contracts differs temporally. Whereas, contract completeness protects against higher dependence at the beginning of the collaboration, their effect diminishes over time. In contrast, rather incomplete contracts enhance the innovation performance in the long term, possibly complemented with trust.
In recent years, the search for more efficient and environmentally friendly materials to be employed in the next generation of thin film solar cell devices has seen a shift towards hybrid halide perovskites and chalcogenide materials crystallising in the kesterite crystal structure. Prime examples for the latter are Cu2ZnSnS4, Cu2ZnSnSe4, and their solid solution Cu2ZnSn(SxSe1-x)(4), where actual devices already demonstrated power conversion efficiencies of about 13 %. However, in their naturally occurring kesterite crystal structure, the so-called Cu-Zn disorder plays an important role and impacts the structural, electronic, and optical properties. To understand the influence of Cu-Zn disorder, we perform first-principles calculations based on density functional theory combined with special quasirandom structures to accurately model the cation disorder. Since the electronic band gaps and derived optical properties are severely underestimated by (semi)local exchange and correlation functionals, supplementary hybrid functional calculations have been performed. Concerning the latter, we additionally employ a recently devised technique to speed up structural relaxations for hybrid functional calculations. Our calculations show that the Cu-Zn disorder leads to a slight increase in the unit cell volume compared to the conventional kesterite structure showing full cation order, and that the band gap gets reduced by about 0.2 eV, which is in very good agreement with earlier experimental and theoretical findings. Our detailed results on structural, electronic, and optical properties will be discussed with respect to available experimental data, and will provide further insights into the atomistic origin of the disorder-induced band gap lowering in these promising kesterite type materials.
We use the prolonged Greek crisis as a case study to understand how a lasting economic shock affects the innovation strategies of firms in economies with moderate innovation activities. Adopting the 3-stage CDM model, we explore the link between R&D, innovation, and productivity for different size groups of Greek manufacturing firms during the prolonged crisis. At the first stage, we find that the continuation of the crisis is harmful for the R&D engagement of smaller firms while it increased the willingness for R&D activities among the larger ones. At the second stage, among smaller firms the knowledge production remains unaffected by R&D investments, while among larger firms the R&D decision is positively correlated with the probability of producing innovation, albeit the relationship is weakened as the crisis continues. At the third stage, innovation output benefits only larger firms in terms of labor productivity, while the innovation-productivity nexus is insignificant for smaller firms during the lasting crisis.
Inorganic perovskite solar cells show excellent thermal stability, but the reported power conversion efficiencies are still lower than for organic-inorganic perovskites. This is mainly caused by lower open-circuit voltages (V(OC)s). Herein, the reasons for the low V-OC in inorganic CsPbI2Br perovskite solar cells are investigated. Intensity-dependent photoluminescence measurements for different layer stacks reveal that n-i-p and p-i-n CsPbI2Br solar cells exhibit a strong mismatch between quasi-Fermi level splitting (QFLS) and V-OC. Specifically, the CsPbI2Br p-i-n perovskite solar cell has a QFLS-e center dot V-OC mismatch of 179 meV, compared with 11 meV for a reference cell with an organic-inorganic perovskite of similar bandgap. On the other hand, this study shows that the CsPbI2Br films with a bandgap of 1.9 eV have a very low defect density, resulting in an efficiency potential of 20.3% with a MeO-2PACz hole-transporting layer and 20.8% on compact TiO2. Using ultraviolet photoelectron spectroscopy measurements, energy level misalignment is identified as a possible reason for the QFLS-e center dot V-OC mismatch and strategies for overcoming this V-OC limitation are discussed. This work highlights the need to control the interfacial energetics in inorganic perovskite solar cells, but also gives promise for high efficiencies once this issue is resolved.
Peripersonal space is the space surrounding our body, where multisensory integration of stimuli and action execution take place. The size of peripersonal space is flexible and subject to change by various personal and situational factors. The dynamic representation of our peripersonal space modulates our spatial behaviors towards other individuals. During the COVID-19 pandemic, this spatial behavior was modified by two further factors: social distancing and wearing a face mask. Evidence from offline and online studies on the impact of a face mask on pro-social behavior is mixed. In an attempt to clarify the role of face masks as pro-social or anti-social signals, 235 observers participated in the present online study. They watched pictures of two models standing at three different distances from each other (50, 90 and 150 cm), who were either wearing a face mask or not and were either interacting by initiating a hand shake or just standing still. The observers’ task was to classify the model by gender. Our results show that observers react fastest, and therefore show least avoidance, for the shortest distances (50 and 90 cm) but only when models wear a face mask and do not interact. Thus, our results document both pro- and anti-social consequences of face masks as a result of the complex interplay between social distancing and interactive behavior. Practical implications of these findings are discussed.
Among various types of perovskite-based tandem solar cells (TSCs), all-perovskite TSCs are of particular attractiveness for building- and vehicle-integrated photovoltaics, or space energy areas as they can be fabricated on flexible and lightweight substrates with a very high power-to-weight ratio. However, the efficiency of flexible all-perovskite tandems is lagging far behind their rigid counterparts primarily due to the challenges in developing efficient wide-bandgap (WBG) perovskite solar cells on the flexible substrates as well as their low open-circuit voltage (V-OC). Here, it is reported that the use of self-assembled monolayers as hole-selective contact effectively suppresses the interfacial recombination and allows the subsequent uniform growth of a 1.77 eV WBG perovskite with superior optoelectronic quality. In addition, a postdeposition treatment with 2-thiopheneethylammonium chloride is employed to further suppress the bulk and interfacial recombination, boosting the V-OC of the WBG top cell to 1.29 V. Based on this, the first proof-of-concept four-terminal all-perovskite flexible TSC with a power conversion efficiency of 22.6% is presented. When integrating into two-terminal flexible tandems, 23.8% flexible all-perovskite TSCs with a superior V-OC of 2.1 V is achieved, which is on par with the V-OC reported on the 28% all-perovskite tandems grown on the rigid substrate.
The reduction in cost and increasing benefits of 3D printing technologies suggest the potential for printing dental prosthetics. However, although 3D printing technologies seem to be promising, their implementation in practice is complicated. To identify and rank the greatest implementation challenges of 3D printing in dental practices, the present study surveys dentists, dental technicians, and 3D printing companies using a ranking-type Delphi study. Our findings imply that a lack of knowledge is the most crucial obstacle to the implementation of 3D printing technologies. The high training effort of staff and the favoring of conventional methods, such as milling, are ranked as the second and third most relevant factors. Investment costs ranked in seventh place, whereas the lack of manufacturing facilities and the obstacle of print duration ranked below average. An inclusive implementation of additive manufacturing could be achieved primarily through the education of dentists and other staff in dental practices. In this manner, production may be managed internally, and the implementation speed may be increased.
The reduction in cost and increasing benefits of 3D printing technologies suggest the potential for printing dental prosthetics. However, although 3D printing technologies seem to be promising, their implementation in practice is complicated. To identify and rank the greatest implementation challenges of 3D printing in dental practices, the present study surveys dentists, dental technicians, and 3D printing companies using a ranking-type Delphi study. Our findings imply that a lack of knowledge is the most crucial obstacle to the implementation of 3D printing technologies. The high training effort of staff and the favoring of conventional methods, such as milling, are ranked as the second and third most relevant factors. Investment costs ranked in seventh place, whereas the lack of manufacturing facilities and the obstacle of print duration ranked below average. An inclusive implementation of additive manufacturing could be achieved primarily through the education of dentists and other staff in dental practices. In this manner, production may be managed internally, and the implementation speed may be increased.