@article{WelkeSperberBergmannetal.2022, author = {Welke, Robert-William and Sperber, Hannah Sabeth and Bergmann, Ronny and Koikkarah, Amit and Menke, Laura and Sieben, Christian and Kr{\"u}ger, Detlev H. and Chiantia, Salvatore and Herrmann, Andreas and Schwarzer, Roland}, title = {Characterization of hantavirus N protein intracellular dynamics and localization}, series = {Viruses}, volume = {14}, journal = {Viruses}, number = {3}, publisher = {MDPI}, address = {Basel}, issn = {1999-4915}, doi = {10.3390/v14030457}, pages = {14}, year = {2022}, abstract = {Hantaviruses are enveloped viruses that possess a tri-segmented, negative-sense RNA genome. The viral S-segment encodes the multifunctional nucleocapsid protein (N), which is involved in genome packaging, intracellular protein transport, immunoregulation, and several other crucial processes during hantavirus infection. In this study, we generated fluorescently tagged N protein constructs derived from Puumalavirus (PUUV), the dominant hantavirus species in Central, Northern, and Eastern Europe. We comprehensively characterized this protein in the rodent cell line CHO-K1, monitoring the dynamics of N protein complex formation and investigating co-localization with host proteins as well as the viral glycoproteins Gc and Gn. We observed formation of large, fibrillar PUUV N protein aggregates, rapidly coalescing from early punctate and spike-like assemblies. Moreover, we found significant spatial correlation of N with vimentin, actin, and P-bodies but not with microtubules. N constructs also co-localized with Gn and Gc albeit not as strongly as the glycoproteins associated with each other. Finally, we assessed oligomerization of N constructs, observing efficient and concentration-dependent multimerization, with complexes comprising more than 10 individual proteins.}, language = {en} } @article{DinevaPearsonIlyinetal.2022, author = {Dineva, Ekaterina Ivanova and Pearson, Jeniveve and Ilyin, Ilya and Verma, Meetu and Diercke, Andrea and Strassmeier, Klaus and Denker, Carsten}, title = {Characterization of chromospheric activity based on Sun-as-a-star spectral and disk-resolved activity indices}, series = {Astronomische Nachrichten = Astronomical notes}, volume = {343}, journal = {Astronomische Nachrichten = Astronomical notes}, number = {5}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0004-6337}, doi = {10.1002/asna.20223996}, pages = {23}, year = {2022}, abstract = {The strong chromospheric absorption lines Ca ii H \& K are tightly connected to stellar surface magnetic fields. Only for the Sun, spectral activity indices can be related to evolving magnetic features on the solar disk. The Solar Disk-Integrated (SDI) telescope feeds the Potsdam Echelle Polarimetric and Spectroscopic Instrument (PEPSI) of the Large Binocular Telescope (LBT) at Mt. Graham International Observatory, Arizona, U.S.A. We present high-resolution, high-fidelity spectra that were recorded on 184 \& 82 days in 2018 \& 2019 and derive the Ca ii H \& K emission ratio, that is, the S-index. In addition, we compile excess brightness and area indices based on full-disk Ca ii K-line-core filtergrams of the Chromospheric Telescope (ChroTel) at Observatorio del Teide, Tenerife, Spain and full-disk ultraviolet (UV) 1600 angstrom images of the Atmospheric Imaging Assembly (AIA) onboard the Solar Dynamics Observatory (SDO). Thus, Sun-as-a-star spectral indices are related to their counterparts derived from resolved images of the solar chromosphere. All indices display signatures of rotational modulation, even during the very low magnetic activity in the minimum of Solar Cycle 24. Bringing together different types of activity indices has the potential to join disparate chromospheric datasets yielding a comprehensive description of chromospheric activity across many solar cycles.}, language = {en} } @article{KruseAltattanLauxetal.2022, author = {Kruse, Marlen and Altattan, Basma and Laux, Eva-Maria and Grasse, Nico and Heinig, Lars and M{\"o}ser, Christin and Smith, David M. and H{\"o}lzel, Ralph}, title = {Characterization of binding interactions of SARS-CoV-2 spike protein and DNA-peptide nanostructures}, series = {Scientific reports}, volume = {12}, journal = {Scientific reports}, number = {1}, publisher = {Macmillan Publishers Limited, part of Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-022-16914-9}, pages = {12}, year = {2022}, abstract = {Binding interactions of the spike proteins of the severe acute respiratory syndrome corona virus 2 (SARS-CoV-2) to a peptide fragment derived from the human angiotensin converting enzyme 2 (hACE2) receptor are investigated. The peptide is employed as capture moiety in enzyme linked immunosorbent assays (ELISA) and quantitative binding interaction measurements that are based on fluorescence proximity sensing (switchSENSE). In both techniques, the peptide is presented on an oligovalent DNA nanostructure, in order to assess the impact of mono- versus trivalent binding modes. As the analyte, the spike protein and several of its subunits are tested as well as inactivated SARS-CoV-2 and pseudo viruses. While binding of the peptide to the full-length spike protein can be observed, the subunits RBD and S1 do not exhibit binding in the employed concentrations. Variations of the amino acid sequence of the recombinant full-length spike proteins furthermore influence binding behavior. The peptide was coupled to DNA nanostructures that form a geometric complement to the trimeric structure of the spike protein binding sites. An increase in binding strength for trimeric peptide presentation compared to single peptide presentation could be generally observed in ELISA and was quantified in switchSENSE measurements. Binding to inactivated wild type viruses could be shown as well as qualitatively different binding behavior of the Alpha and Beta variants compared to the wild type virus strain in pseudo virus models.}, language = {en} } @article{HuschekRawelSchweikertetal.2022, author = {Huschek, Gerd and Rawel, Harshadrai M. and Schweikert, Torsten and Henkel-Oberl{\"a}nder, Janin and Sagu Tchewonpi, Sorel}, title = {Characterization and optimization of microwave-assisted extraction of B-phycoerythrin from Porphyridium purpureum using response surface methodology and Doehlert design}, series = {Bioresource Technology Reports}, volume = {19}, journal = {Bioresource Technology Reports}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2589-014X}, doi = {10.1016/j.biteb.2022.101212}, pages = {9}, year = {2022}, abstract = {Microalgae are one of the most promising food source of the future. Nowadays, extracts of high-value active substances of biomass are business aims for the development of food additives in personalized nutrition, in cosmetics and pharmaceuticals. A new-patented vertical farming cultivation technology was used for production of Porphyridium purpureum. In this work, microwave assisted extraction was used to extract B-phycoerythrin from Porphyridium purpureum biomass. Response surface methodology was implemented for optimization. Numerical optimization established the best point of the experimental domain (biomass/solvent of 16.8 mg/mL, time of 172 s, and temperature of 30 degrees C) with a desirability value of 0.82. Corresponding experimental responses values of 7.2 mg, 8.5 \% and 13,961 PA/mu g biomass were obtained for extracted proteins, extraction yield and extracted B-phycoerythrin, respectively. Final freeze-dried product indicated protein content of 55 \% using Kjeldahl while targeted mass spectrometry analysis revealed that B-phycoerythrin represented 93 \% of the total protein.}, language = {en} } @article{KojdaHofmannGostkowskaLekneretal.2022, author = {Kojda, Danny and Hofmann, Tommy and Gostkowska-Lekner, Natalia Katarzyna and Habicht, Klaus}, title = {Characterization and modeling of the temperature-dependent thermal conductivity in sintered porous silicon-aluminum nanomaterials}, series = {Nano research}, volume = {15}, journal = {Nano research}, number = {6}, publisher = {Tsinghua Univ. Press}, address = {Beijing}, issn = {1998-0124}, doi = {10.1007/s12274-022-4123-y}, pages = {5663 -- 5670}, year = {2022}, abstract = {Nanostructured silicon and silicon-aluminum compounds are synthesized by a novel synthesis strategy based on spark plasma sintering (SPS) of silicon nanopowder, mesoporous silicon (pSi), and aluminum nanopowder. The interplay of metal-assisted crystallization and inherent porosity is exploited to largely suppress thermal conductivity. Morphology and temperature-dependent thermal conductivity studies allow us to elucidate the impact of porosity and nanostructure on the macroscopic heat transport. Analytic electron microscopy along with quantitative image analysis is applied to characterize the sample morphology in terms of domain size and interpore distance distributions. We demonstrate that nanostructured domains and high porosity can be maintained in densified mesoporous silicon samples. In contrast, strong grain growth is observed for sintered nanopowders under similar sintering conditions. We observe that aluminum agglomerations induce local grain growth, while aluminum diffusion is observed in porous silicon and dispersed nanoparticles. A detailed analysis of the measured thermal conductivity between 300 and 773 K allows us to distinguish the effect of reduced thermal conductivity caused by porosity from the reduction induced by phonon scattering at nanosized domains. With a modified Landauer/Lundstrom approach the relative thermal conductivity and the scattering length are extracted. The relative thermal conductivity confirms the applicability of Kirkpatrick's effective medium theory. The extracted scattering lengths are in excellent agreement with the harmonic mean of log-normal distributed domain sizes and the interpore distances combined by Matthiessen's rule.}, language = {en} } @article{IlicSchutjajewZhangetal.2022, author = {Ilic, Ivan and Schutjajew, Konstantin and Zhang, Wuyong and Oschatz, Martin}, title = {Changes of porosity of hard carbons during mechanical treatment and the relevance for sodium-ion anodes}, series = {Carbon : an international journal sponsored by the American Carbon Society}, volume = {186}, journal = {Carbon : an international journal sponsored by the American Carbon Society}, publisher = {Elsevier Science}, address = {Amsterdam [u.a.]}, issn = {0008-6223}, doi = {10.1016/j.carbon.2021.09.063}, pages = {55 -- 63}, year = {2022}, abstract = {Lithium-ion batteries have revolutionized battery technology. However, the scarcity of lithium in nature is driving the search for alternatives. For that reason, sodium-ion batteries have attracted increasing attention in recent years. The main obstacle to their development is the anode as, unlike for lithium-ion batteries, graphite cannot be used due to the inability to form stoichiometrically useful intercalation compounds with sodium. A promising candidate for sodium storage is hard carbon a form of nongraphitisable carbon, that can be synthesized from various precursor materials. Processing of hard carbons is often done by using mechanochemical treatments. Although it is generally accepted and often observed that they can influence the porosity of hard carbons, their effect on battery performance not well understood. Here, the changes in porosity occurring during ball milling are elucidated and related to the properties of hard carbons in sodium storage. Analysis by combined gas physisorption and small angle X-ray scattering shows that porosity changes during ball milling with a significant increase of the open porosity, unsuitable for reversible sodium storage, and decrease of the closed porosity, suitable for reversible sodium storage. While pristine hard carbon can store 58.5 mAh g(-1) in the closed pores, upon 5 h of mechanical treatment in a ball mill it can only store 35.5 mAh g(-1). The obtained results are furthermore pointing towards the disputed "intercalation-adsorption" mechanism.}, language = {en} } @article{BotteriPeveriBerstadetal.2022, author = {Botteri, Edoardo and Peveri, Giulia and Berstad, Paula and Bagnardi, Vincenzo and Chen, Sairah L. F. and Sandanger, Torkjel M. and Hoff, Geir and Dahm, Christina C. and Antoniussen, Christian S. and Tjonneland, Anne and Eriksen, Anne Kirstine and Skeie, Guri and Perez-Cornago, Aurora and Huerta, Jose Maria and Jakszyn, Paula and Harlid, Sophia and Sundstroem, Bjoern and Barricarte, Aurelio and Monninkhof, Evelyn M. and Derksen, Jeroen W. G. and Schulze, Matthias Bernd and Bueno-de-Mesquita, Bas and Sanchez, Maria-Jose and Cross, Amanda J. and Tsilidis, Konstantinos K. and De Magistris, Maria Santucci and Kaaks, Rudolf and Katzke, Verena and Rothwell, Joseph A. and Laouali, Nasser and Severi, Gianluca and Amiano, Pilar and Contiero, Paolo and Sacerdote, Carlotta and Goldberg, Marcel and Touvier, Mathilde and Freisling, Heinz and Viallon, Vivian and Weiderpass, Elisabete and Riboli, Elio and Gunter, Marc J. and Jenab, Mazda and Ferrari, Pietro}, title = {Changes in lifestyle and risk of colorectal cancer in the European prospective investigation into cancer and nutrition}, series = {The American journal of gastroenterology : AJG}, volume = {118}, journal = {The American journal of gastroenterology : AJG}, number = {4}, publisher = {Lippincott Williams \& Wilkins}, address = {Philadelphia}, issn = {0002-9270}, doi = {10.14309/ajg.0000000000002065}, pages = {702 -- 711}, year = {2022}, abstract = {INTRODUCTION: We investigated the impact of changes in lifestyle habits on colorectal cancer (CRC) risk in a multicountry European cohort. METHODS: We used baseline and follow-up questionnaire data from the European Prospective Investigation into Cancer cohort to assess changes in lifestyle habits and their associations with CRC development. We calculated a healthy lifestyle index (HLI) score based on smoking status, alcohol consumption, body mass index, and physical activity collected at the 2 time points. HLI ranged from 0 (most unfavorable) to 16 (most favorable). We estimated the association between HLI changes and CRC risk using Cox regression models and reported hazard ratios (HR) with 95\% confidence intervals (CI). RESULTS: Among 295,865 participants, 2,799 CRC cases were observed over a median of 7.8 years. The median time between questionnaires was 5.7 years. Each unit increase in HLI from the baseline to the follow-up assessment was associated with a statistically significant 3\% lower CRC risk. Among participants in the top tertile at baseline (HLI > 11), those in the bottom tertile at follow-up (HLI <= 9) had a higher CRC risk (HR 1.34; 95\% CI 1.02-1.75) than those remaining in the top tertile. Among individuals in the bottom tertile at baseline, those in the top tertile at follow-up had a lower risk (HR 0.77; 95\% CI 0.59-1.00) than those remaining in the bottom tertile. DISCUSSION: Improving adherence to a healthy lifestyle was inversely associated with CRC risk, while worsening adherence was positively associated with CRC risk. These results justify and support recommendations for healthy lifestyle changes and healthy lifestyle maintenance for CRC prevention.}, language = {en} } @article{KretzschmarAshbyFearonetal.2022, author = {Kretzschmar, Mirjam E. and Ashby, Ben and Fearon, Elizabeth and Overton, Christopher E. and Panovska-Griffiths, Jasmina and Pellis, Lorenzo and Quaife, Matthew and Rozhnova, Ganna and Scarabel, Francesca and Stage, Helena B. and Swallow, Ben and Thompson, Robin N. and Tildesley, Michael J. and Villela, Daniel Campos}, title = {Challenges for modelling interventions for future pandemics}, series = {Epidemics}, volume = {38}, journal = {Epidemics}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1755-4365}, doi = {10.1016/j.epidem.2022.100546}, pages = {13}, year = {2022}, abstract = {Mathematical modelling and statistical inference provide a framework to evaluate different non-pharmaceutical and pharmaceutical interventions for the control of epidemics that has been widely used during the COVID-19 pandemic. In this paper, lessons learned from this and previous epidemics are used to highlight the challenges for future pandemic control. We consider the availability and use of data, as well as the need for correct parameterisation and calibration for different model frameworks. We discuss challenges that arise in describing and distinguishing between different interventions, within different modelling structures, and allowing both within and between host dynamics. We also highlight challenges in modelling the health economic and political aspects of interventions. Given the diversity of these challenges, a broad variety of interdisciplinary expertise is needed to address them, combining mathematical knowledge with biological and social insights, and including health economics and communication skills. Addressing these challenges for the future requires strong cross disciplinary collaboration together with close communication between scientists and policy makers.}, language = {en} } @article{MazareiBarker2022, author = {Mazarei, Elham and Barker, John R.}, title = {CH2 + O-2}, series = {Physical chemistry, chemical physics : PCCP ; a journal of European Chemical Societies}, volume = {24}, journal = {Physical chemistry, chemical physics : PCCP ; a journal of European Chemical Societies}, number = {2}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1463-9076}, doi = {10.1039/d1cp04372b}, pages = {914 -- 927}, year = {2022}, abstract = {The singlet and triplet potential surfaces for the title reaction were investigated using the CBS-QB3 level of theory. The wave functions for some species exhibited multireference character and required the CASPT2/6-31+G(d,p) and CASPT2/aug-cc-pVTZ levels of theory to obtain accurate relative energies. A Natural Bond Orbital Analysis showed that triplet (CH2OO)-C-3 (the simplest Criegee intermediate) and (CH2O2)-C-3 (dioxirane) have mostly polar biradical character, while singlet (CH2OO)-C-1 has some zwitterionic character and a planar structure. Canonical variational transition state theory (CVTST) and master equation simulations were used to analyze the reaction system. CVTST predicts that the rate constant for reaction of (CH2)-C-1 + O-3(2) is more than ten times as fast as the reaction of (CH2)-C-3 ((XB1)-B-3) + O-3(2) and the ratio remains almost independent of temperature from 900 K to 3000 K. The master equation simulations predict that at low pressures the (CH2O)-C-1 + O-3 product set is dominant at all temperatures and the primary yield of OH radicals is negligible below 600 K, due to competition with other primary reactions in this complex system.}, language = {en} } @article{RammJackKaseretal.2022, author = {Ramm, Franziska and Jack, Lena and Kaser, Danny and Schloßhauer, Jeffrey L. and Zemella, Anne and Kubick, Stefan}, title = {Cell-Free Systems Enable the Production of AB(5) Toxins for Diagnostic Applications}, series = {Toxins}, volume = {14}, journal = {Toxins}, number = {4}, publisher = {MDPI}, address = {Basel}, issn = {2072-6651}, doi = {10.3390/toxins14040233}, pages = {19}, year = {2022}, abstract = {Cell-free protein synthesis (CFPS) represents a versatile key technology for the production of toxic proteins. As a cell lysate, rather than viable cells, is used, the toxic effects on the host organism can be circumvented. The open nature of cell-free systems allows for the addition of supplements affecting protein concentration and folding. Here, we present the cell-free synthesis and functional characterization of two AB(5) toxins, namely the cholera toxin (Ctx) and the heat-labile enterotoxin (LT), using two eukaryotic cell-free systems based on Chinese hamster ovary (CHO) and Spodoptera frugiperda (Sf21) cells. Through an iterative optimization procedure, the synthesis of the individual AB(5) toxins was established, and the formation of multimeric structures could be shown by autoradiography. A functional analysis was performed using cell-based assays, thereby demonstrating that the LT complex induced the characteristic cell elongation of target cells after 24 h. The LT complex induced cell death at higher concentrations, starting at an initial concentration of 5 nM. The initial toxic effects of the Ctx multimer could already be detected at 4 nM. The detection and characterization of such AB(5) toxins is of utmost importance, and the monitoring of intracellular trafficking facilitates the further identification of the mechanism of action of these toxins. We showed that the B-subunit of LT (LTB) could be fluorescently labeled using an LTB-Strep fusion protein, which is a proof-of-concept for future Trojan horse applications. Further, we performed a mutational analysis of the CtxA subunit as its template was modified, and an amber stop codon was inserted into CtxA's active site. Subsequently, a non-canonical amino acid was site-specifically incorporated using bio-orthogonal systems. Finally, a fluorescently labeled CtxA protein was produced using copper-catalyzed click reactions as well as a Staudinger ligation. As expected, the modified Ctx multimer no longer induced toxic effects. In our study, we showed that CFPS could be used to study the active centers of toxins by inserting mutations. Additionally, this methodology can be applied for the design of Trojan horses and targeted toxins, as well as enabling the intracellular trafficking of toxins as a prerequisite for the analysis of the toxin's mechanism of action.}, language = {en} } @article{SchlosshauerCavakZemellaetal.2022, author = {Schloßhauer, Jeffrey and Cavak, Ni{\~n}o and Zemella, Anne and Thoring, Lena and Kubick, Stefan}, title = {Cell engineering and cultivation of chinese hamster ovary cells for the development of orthogonal eukaryotic cell-free translation systems}, series = {Frontiers in molecular biosciences}, volume = {9}, journal = {Frontiers in molecular biosciences}, publisher = {Frontiers Media}, address = {Lausanne}, issn = {2296-889X}, doi = {10.3389/fmolb.2022.832379}, pages = {13}, year = {2022}, abstract = {The investigation of protein structures, functions and interactions often requires modifications to adapt protein properties to the specific application. Among many possible methods to equip proteins with new chemical groups, the utilization of orthogonal aminoacyl-tRNA synthetase/tRNA pairs enables the site-specific incorporation of non-canonical amino acids at defined positions in the protein. The open nature of cell-free protein synthesis reactions provides an optimal environment, as the orthogonal components do not need to be transported across the cell membrane and the impact on cell viability is negligible. In the present work, it was shown that the expression of orthogonal aminoacyl-tRNA synthetases in CHO cells prior to cell disruption enhanced the modification of the pharmaceutically relevant adenosine A2a receptor. For this purpose, in complement to transient transfection of CHO cells, an approach based on CRISPR/Cas9 technology was selected to generate a translationally active cell lysate harboring endogenous orthogonal aminoacyl-tRNA synthetase.}, language = {en} } @article{FischerSaalfrank2022, author = {Fischer, Eric W. and Saalfrank, Peter}, title = {Cavity-induced non-adiabatic dynamics and spectroscopy of molecular rovibrational polaritons studied by multi-mode quantum models}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, volume = {157}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, number = {3}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-9606}, doi = {10.1063/5.0098006}, pages = {13}, year = {2022}, abstract = {We study theoretically the quantum dynamics and spectroscopy of rovibrational polaritons formed in a model system composed of a single rovibrating diatomic molecule, which interacts with two degenerate, orthogonally polarized modes of an optical Fabry-Perot cavity. We employ an effective rovibrational Pauli-Fierz Hamiltonian in length gauge representation and identify three-state vibro-polaritonic conical intersections (VPCIs) between singly excited vibro-polaritonic states in a two-dimensional angular coordinate branching space. The lower and upper vibrational polaritons are of mixed light-matter hybrid character, whereas the intermediate state is purely photonic in nature. The VPCIs provide effective population transfer channels between singly excited vibrational polaritons, which manifest in rich interference patterns in rotational densities. Spectroscopically, three bright singly excited states are identified when an external infrared laser field couples to both a molecular and a cavity mode. The non-trivial VPCI topology manifests as pronounced multi-peak progression in the spectral region of the upper vibrational polariton, which is traced back to the emergence of rovibro-polaritonic light-matter hybrid states. Experimentally, ubiquitous spontaneous emission from cavity modes induces a dissipative reduction of intensity and peak broadening, which mainly influences the purely photonic intermediate state peak as well as the rovibro-polaritonic progression. Published under an exclusive license by AIP Publishing.}, language = {en} } @article{FischerAndersSaalfrank2022, author = {Fischer, Eric Wolfgang and Anders, Janet and Saalfrank, Peter}, title = {Cavity-altered thermal isomerization rates and dynamical resonant localization in vibro-polaritonic chemistry}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, volume = {156}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, number = {15}, publisher = {American Institute of Physics}, address = {Melville, NY}, issn = {0021-9606}, doi = {10.1063/5.0076434}, pages = {16}, year = {2022}, abstract = {It has been experimentally demonstrated that reaction rates for molecules embedded in microfluidic optical cavities are altered when compared to rates observed under "ordinary" reaction conditions. However, precise mechanisms of how strong coupling of an optical cavity mode to molecular vibrations affects the reactivity and how resonance behavior emerges are still under dispute. In the present work, we approach these mechanistic issues from the perspective of a thermal model reaction, the inversion of ammonia along the umbrella mode, in the presence of a single-cavity mode of varying frequency and coupling strength. A topological analysis of the related cavity Born-Oppenheimer potential energy surface in combination with quantum mechanical and transition state theory rate calculations reveals two quantum effects, leading to decelerated reaction rates in qualitative agreement with experiments: the stiffening of quantized modes perpendicular to the reaction path at the transition state, which reduces the number of thermally accessible reaction channels, and the broadening of the barrier region, which attenuates tunneling. We find these two effects to be very robust in a fluctuating environment, causing statistical variations of potential parameters, such as the barrier height. Furthermore, by solving the time-dependent Schrodinger equation in the vibrational strong coupling regime, we identify a resonance behavior, in qualitative agreement with experimental and earlier theoretical work. The latter manifests as reduced reaction probability when the cavity frequency omega(c) is tuned resonant to a molecular reactant frequency. We find this effect to be based on the dynamical localization of the vibro-polaritonic wavepacket in the reactant well.}, language = {en} } @article{Miklashevsky2022, author = {Miklashevsky, Alex}, title = {Catch the star! Spatial information activates the manual motor system}, series = {PLoS ONE}, journal = {PLoS ONE}, publisher = {PLOS}, address = {San Francisco, California, US}, issn = {1932-6203}, doi = {10.1371/journal.pone.0262510}, pages = {1 -- 30}, year = {2022}, abstract = {Previous research demonstrated a close bidirectional relationship between spatial attention and the manual motor system. However, it is unclear whether an explicit hand movement is necessary for this relationship to appear. A novel method with high temporal resolution-bimanual grip force registration-sheds light on this issue. Participants held two grip force sensors while being presented with lateralized stimuli (exogenous attentional shifts, Experiment 1), left- or right-pointing central arrows (endogenous attentional shifts, Experiment 2), or the words "left" or "right" (endogenous attentional shifts, Experiment 3). There was an early interaction between the presentation side or arrow direction and grip force: lateralized objects and central arrows led to a larger increase of the ipsilateral force and a smaller increase of the contralateral force. Surprisingly, words led to the opposite pattern: larger force increase in the contralateral hand and smaller force increase in the ipsilateral hand. The effect was stronger and appeared earlier for lateralized objects (60 ms after stimulus presentation) than for arrows (100 ms) or words (250 ms). Thus, processing visuospatial information automatically activates the manual motor system, but the timing and direction of this effect vary depending on the type of stimulus.}, language = {en} } @article{SchaeferBittmann2022, author = {Schaefer, Laura and Bittmann, Frank}, title = {Case Study: Intra- and Interpersonal Coherence of Muscle and Brain Activity of Two Coupled Persons during Pushing and Holding Isometric Muscle Action}, series = {Brain Sciences}, volume = {12}, journal = {Brain Sciences}, edition = {6}, publisher = {MDPI Open Access Publishing}, address = {Basel, Schweiz}, issn = {2076-3425}, doi = {10.3390/brainsci12060703}, pages = {27}, year = {2022}, abstract = {Inter-brain synchronization is primarily investigated during social interactions but had not been examined during coupled muscle action between two persons until now. It was previously shown that mechanical muscle oscillations can develop coherent behavior between two isometrically interacting persons. This case study investigated if inter-brain synchronization appears thereby, and if differences of inter- and intrapersonal muscle and brain coherence exist regarding two different types of isometric muscle action. Electroencephalography (EEG) and mechanomyography/mechanotendography (MMG/MTG) of right elbow extensors were recorded during six fatiguing trials of two coupled isometrically interacting participants (70\% MVIC). One partner performed holding and one pushing isometric muscle action (HIMA/PIMA; tasks changed). The wavelet coherence of all signals (EEG, MMG/MTG, force, ACC) were analyzed intra- and interpersonally. The five longest coherence patches in 8-15 Hz and their weighted frequency were compared between real vs. random pairs and between HIMA vs. PIMA. Real vs. random pairs showed significantly higher coherence for intra-muscle, intra-brain, and inter-muscle-brain activity (p < 0.001 to 0.019). Inter-brain coherence was significantly higher for real vs. random pairs for EEG of right and central areas and for sub-regions of EEG left (p = 0.002 to 0.025). Interpersonal muscle-brain synchronization was significantly higher than intrapersonal one, whereby it was significantly higher for HIMA vs. PIMA. These preliminary findings indicate that inter-brain synchronization can arise during muscular interaction. It is hypothesized both partners merge into one oscillating neuromuscular system. The results reinforce the hypothesis that HIMA is characterized by more complex control strategies than PIMA. The pilot study suggests investigating the topic further to verify these results on a larger sample size. Findings could contribute to the basic understanding of motor control and is relevant for functional diagnostics such as the manual muscle test which is applied in several disciplines, e.g., neurology, physiotherapy.}, language = {en} } @article{BarcenaAslamPozdniakovaetal.2022, author = {Barcena, Maria Luisa and Aslam, Muhammad and Pozdniakova, Sofya and Norman, Kristina and Ladilov, Yury}, title = {Cardiovascular inflammaging: mechanisms and translational aspects}, series = {Cells}, volume = {11}, journal = {Cells}, number = {6}, publisher = {MDPI}, address = {Basel}, issn = {2073-4409}, doi = {10.3390/cells11061010}, pages = {15}, year = {2022}, abstract = {Aging is one of the major non-reversible risk factors for several chronic diseases, including cancer, type 2 diabetes, dementia, and cardiovascular diseases (CVD), and it is a key cause of multimorbidity, disability, and frailty (decreased physical activity, fatigue, and weight loss). The underlying cellular mechanisms are complex and consist of multifactorial processes, such as telomere shortening, chronic low-grade inflammation, oxidative stress, mitochondrial dysfunction, accumulation of senescent cells, and reduced autophagy. In this review, we focused on the molecular mechanisms and translational aspects of cardiovascular aging-related inflammation, i.e., inflammaging.}, language = {en} } @article{MuntahaLiCompartetal.2022, author = {Muntaha, Sidratul Nur and Li, Xiaoping and Compart, Julia and Apriyanto, Ardha and Fettke, J{\"o}rg}, title = {Carbon pathways during transitory starch degradation in Arabidopsis differentially affect the starch granule number and morphology in the dpe2/phs1 mutant background}, series = {Plant physiology and biochemistry : an official journal of the Federation of European Societies of Plant Physiology}, volume = {180}, journal = {Plant physiology and biochemistry : an official journal of the Federation of European Societies of Plant Physiology}, publisher = {Elsevier}, address = {Paris}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2022.03.033}, pages = {35 -- 41}, year = {2022}, abstract = {The Arabidopsis knockout mutant lacking both the cytosolic disproportionating enzyme 2 (DPE2) and the plastidial phosphorylase (PHS1) had a dwarf-growth phenotype, a reduced and uneven distribution of starch within the plant rosettes, and a lower starch granule number per chloroplast under standard growth conditions. In contrast, a triple mutant impaired in starch degradation by its additional lack of the glucan, water dikinase (GWD) showed improved plant growth, a starch-excess phenotype, and a homogeneous starch distribution. Furthermore, the number of starch granules per chloroplast was increased and was similar to the wild type. We concluded that ongoing starch degradation is mainly responsible for the observed phenotype of dpe2/phs1. Next, we generated two further triple mutants lacking either the phosphoglucan, water dikinase (PWD), or the disproportionating enzyme 1 (DPE1) in the background of the double mutant. Analysis of the starch metabolism revealed that even minor ongoing starch degradation observed in dpe2/phs1/pwd maintained the double mutant phenotype. In contrast, an additional blockage in the glucose pathway of starch breakdown, as in dpe2/phs1/ dpe1, resulted in a nearly starch-free phenotype and massive chloroplast degradation. The characterized mutants were discussed in the context of starch granule formation.}, language = {en} } @article{AyBrysonWeckKuehne2022, author = {Ay-Bryson, Destina Sevde and Weck, Florian and K{\"u}hne, Franziska}, title = {Can simulated patient encounters appear authentic?}, series = {Training and education in professional psychology}, volume = {16}, journal = {Training and education in professional psychology}, number = {1}, publisher = {American Psychological Association}, address = {Washington}, issn = {1931-3918}, doi = {10.1037/tep0000349}, pages = {20 -- 27}, year = {2022}, abstract = {Public Significance Statement This study demonstrates that simulated patients (SPs) can authentically portray a depressive case. The results provide preliminary evidence of psychometrically sound properties of the rating scale that contributes to distinguishing between authentic and unauthentic SPs and may thus foster SPs' dissemination into evidence-based training.
For training purposes, simulated patients (SPs), that is, healthy people portraying a disorder, are disseminating more into clinical psychology and psychotherapy. In the current study, we developed an observer-based rating instrument for the evaluation of SP authenticity-namely, it not being possible to distinguish them from real patients-so as to foster their use in evidence-based training. We applied a multistep inductive approach to develop the Authenticity of Patient Demonstrations (APD) scale. Ninety-seven independent psychotherapy trainees, 77.32\% female, mean age of 31.49 (SD = 5.17) years, evaluated the authenticity of 2 independent SPs, each of whom portrayed a depressive patient. The APD demonstrated good internal consistency (Cronbach's alpha = .83) and a strong correlation (r = .82) with an established tool for assessing SP performance in medical contexts. The APD scale distinguished significantly between an authentic and unauthentic SP (d = 2.35). Preliminary evidence for the psychometric properties of the APD indicates that the APD could be a viable tool for recruiting, training, and evaluating the authenticity of SPs. Strengths, limitations, and future directions are also discussed in detail.}, language = {en} } @article{Eccard2022, author = {Eccard, Jana}, title = {Can rolling composite wildflower blocks increase biodiversity in agricultural landscapes better than wildflowers strips?}, series = {Journal of applied ecology : an official journal of the British Ecological Society}, volume = {59}, journal = {Journal of applied ecology : an official journal of the British Ecological Society}, number = {5}, publisher = {Wiley-Blackwell}, address = {Oxford}, issn = {0021-8901}, doi = {10.1111/1365-2664.14147}, pages = {1172 -- 1177}, year = {2022}, abstract = {Biodiversity and abundance of wildlife has dramatically declined in agricultural landscapes. Sown, short-lived wildflower (WF) strips along the margins of crop fields are a widespread and often subsidised in agri-environmental schemes, intended to enhance biodiversity, provide refuges for wild plant and arthropod populations and to provide ecosystem services to crops. Meanwhile, WF elements are also criticised, since their functionality decreases with plant succession, the removal of aged WF strip poses an ecological trap for the attracted arthropod populations and only common and mobile species benefit. Further, insects in WF strips are impacted by pesticides from agricultural fields due to shared boundaries with crop fields and by edge effects. The performance of the measure could be improved by combining several WF strips of different successional stages, each harbouring a unique community of plants and arthropods, into persistent, composite WF block, where successional stages exist in parallel. Monitoring data on many taxa in the literature shows, that a third of species are temporarily present in an ageing WF stip, thus offering composite WF blocks should increase cumulative species richness by 28\%-39\% compared to annual richness in WF strips. Persistence of composite WF blocks would offer reliable refuge for animal and plant populations, also supporting their predators and herbivores. Further, WF blocks have less boundaries to crops compared to WF strips of the same area, and are less impacted by edge effects and pesticides. Policy implications. Here I suggest a change of conservation practice changing from successional WF strips to composite WF blocks. By regular removal and replacement of aged WF strips either within the block (rotational) or at its margins (rolling), the habitat heterogeneity in composite WF block could be perpetuated. Rolling composite WF blocks change locations over years, and the original location can be reconverted to arable land while a nearby WF block is still available to wildlife. A change in agricultural schemes would be necessary, since in some European countries clustered WF strips are explicitly not subsidised.}, language = {en} } @article{NegyesiHortobagyiHilletal.2022, author = {Negyesi, Janos and Hortobagyi, Tibor and Hill, Jessica and Granacher, Urs and Nagatomi, Ryoichi}, title = {Can compression garments reduce the deleterious effects of physical exercise on muscle strength?}, series = {Sports medicine}, volume = {52}, journal = {Sports medicine}, number = {9}, publisher = {Springer}, address = {Northcote}, issn = {0112-1642}, doi = {10.1007/s40279-022-01681-4}, pages = {2159 -- 2175}, year = {2022}, abstract = {Background The use of compression garments (CGs) during or after training and competition has gained popularity in the last few decades. However, the data concerning CGs' beneficial effects on muscle strength-related outcomes after physical exercise remain inconclusive. Objective The aim was to determine whether wearing CGs during or after physical exercise would facilitate the recovery of muscle strength-related outcomes. Methods A systematic literature search was conducted across five databases (PubMed, SPORTDiscus, Web of Science, Scopus, and EBSCOhost). Data from 19 randomized controlled trials (RCTs) including 350 healthy participants were extracted and meta-analytically computed. Weighted between-study standardized mean differences (SMDs) with respect to their standard errors (SEs) were aggregated and corrected for sample size to compute overall SMDs. The type of physical exercise, the body area and timing of CG application, and the time interval between the end of the exercise and subsequent testing were assessed. Results CGs produced no strength-sparing effects (SMD [95\% confidence interval]) at the following time points (t) after physical exercise: immediately <= t < 24 h: - 0.02 (- 0.22 to 0.19), p = 0.87; 24 <= t < 48 h: - 0.00 (- 0.22 to 0.21), p = 0.98; 48 <= t < 72 h: - 0.03 (- 0.43 to 0.37), p = 0.87; 72 <= t < 96 h: 0.14 (- 0.21 to 0.49), p = 0.43; 96 h <= t: 0.26 (- 0.33 to 0.85), p = 0.38. The body area where the CG was applied had no strength-sparing effects. CGs revealed weak strength-sparing effects after plyometric exercise. Conclusion Meta-analytical evidence suggests that wearing a CG during or after training does not seem to facilitate the recovery of muscle strength following physical exercise. Practitioners, athletes, coaches, and trainers should reconsider the use of CG as a tool to reduce the effects of physical exercise on muscle strength.}, language = {en} }