bluuebunny/crossref_metadata_2025 huggingface dataset:
Modelling and comparing two modes of sharing parking spots at residential area: Real‐time and fixed‐time allocation
Authors: Yang Yang , Yang Bo , Yuan Zhenzhou , Meng Ran , Wang Yunpeng
Published: February 2023

This research aims to improve the utilization efficiency of parking facilities in residential areas. The real‐time and fixed‐time shared parking spot allocation models based on a time window constraint are proposed, respectively. The real‐time model adopts the dynamic response service mechanism, introducing a multi‐objective decision weighting method to construct the weighted evaluation function. Then, the 0–1 planning model with user optimization is established, utilizing branch‐bound algorithm for a solution. The fixed‐time model adopts the periodic service mechanism, where a rejection penalty factor is introduced to add penalty cost. Then, the 0–1 programming model with system optimization is constructed, where genetic annealing algorithm solves the large‐scale calculation problem. The results from this case study illustrate the fixed‐time allocation mode has more balanced utilization of parking facilities, whereas over‐utilization of preferred parking lots occurs in the real‐time model; additionally, when supply and demand are in balance, the fixed‐time model can obtain higher system revenues, reduce effective rejection rate by 9.43%, and increase resource utilization efficiency by 5.28%. In conclusion, the real‐time allocation mode reflects the advantage of a user's optimal allocation mode when supply is greater than demand; conversely, the fixed‐time allocation mode has the advantage of optimum system resources utilization efficiency.
Consistency of Type IIP supernova sibling distances
Authors: Csörnyei G. , Vogl C. , Taubenberger S. , Flörs A. , Blondin S. , Cudmani M. G. , Holas A. , Kressierer S. , Leibundgut B. , Hillebrandt W.
Published: February 2023

Context. Type II supernovae offer a direct way of estimating distances via the expanding photosphere method, which is independent of the cosmic distance ladder. A Gaussian process-based method was recently introduced, allowing for a fast and precise modelling of spectral time series and placing accurate and computationally cheap Type II-based absolute distance determinations within reach.

Aims. The goal of this work is to assess the internal consistency of this new modelling technique coupled with the distance estimation in an empirical way, using the spectral time series of supernova siblings, that is, supernovae that exploded in the same host galaxy.

Methods. We used a recently developed spectral emulator code, trained on TARDIS radiative transfer models that is capable of a fast maximum-likelihood parameter estimation and spectral fitting. After calculating the relevant physical parameters of supernovae, we applied the expanding photosphere method to estimate their distances. Finally, we tested the consistency of the obtained values by applying the formalism of Bayes factors.

Results. The distances to four different host galaxies were estimated based on two supernovae in each. The distance estimates are not only consistent within the errors for each of the supernova sibling pairs, but in the case of two hosts, they are precise to better than 5%. The analysis also showed that the main limiting factor of this estimation is the number and quality of spectra available for the individual objects, rather than the physical differences of the siblings.

Conclusions. Even though the literature data we used was not tailored to the requirements of our analysis, the agreement of the final estimates shows that the method is robust and is capable of inferring both precise and consistent distances. By using high-quality spectral time series, this method can provide precise distance estimates independent of the distance ladder, which are of high value for cosmology.
Innovation co-development for viticulture and enology: Novel tele-detection web-service fuses vineyard data
Authors: Araújo João , Pimenta Vasco , Campos José , Pinheiro Pedro , Porto João Vasconcelos , Manso José , Fontes Natacha , Graça António
Published: February 2023

Spin.Works has been developing its MAPP.it platform and implementing features in close cooperation with the internal R&D group of Sogrape Vinhos, Portugal's largest winemaker and a long-standing MAPP.it user. Borne of such cooperation were a number of tools that are currently available or in late-stage development in MAPP.it: Information register and filtering capabilities for all plots in a property; combining high spatial resolution data from drone with high temporal resolution data from satellite; availability of past years' data enabling inquiry into historical comparisons and trends; simple statistical analysis such as plant distribution perpercentile, dynamic cut-off points for zoning tools or smoothing; identification, counting, and georeferencing of gaps in the vineyards (dead or otherwise lost plants); plot variability measurement; high degree of exportability and interoperability, such as ability to download both raster and vector data or export maps/analysis as pdf files; mobile app enabling in-field data consultation and analysis, as well as georeferenced notes and photos. Using MAPP.it, Sogrape has streamlined its viticulture management, supporting more efficient daily planning from vineyard managers, evaluating the effect of management decisions on annual and monthly time-frames, explaining the underpinning reasons for observed vineyard block variability and scheduling harvests according to plant vigour and maturity levels (combination of MAPP.it and maturity control data). MAPP.it and Sogrape will continue to cooperate in the eco-development of the plat form to improve the features and functionality of the MAPP.it service taking advantage of developments in satellite data availability and computer support edgeomatic analysis, hopefully leading to easy, quick, and accurate methods for estimating water stress risk, carbon balance potentials, and ecosystem management with nature and biodiversity conservation indicators.
Neue Weintourismusstrategien während der Covid19-Krise – ein Vergleich in fünf verschiedenen Ländern
Authors: Szolnoki Gergely , Bail Susan , Tafel Maximilian , Veith Cristina
Published: February 2023

Um die Geschäftseinbußen während der COVID-19-Krise auszugleichen, mussten die touristischen Weinbaubetriebe neue Strategien anwenden. Diese Strategien wurden in einer länderübergreifenden Studie im Jahr 2021 erfasst und verglichen. Die Studie basiert auf einer qualitativen Befragung von Entscheidungsträgern in 70 Weingütern aus den Ländern USA, Australien, Deutschland, Ungarn und Rumänien. Ziel war es, neue und nachhaltige Initiativen und Resilienz-Strategien zu identifizieren, die zur Bewältigung der durch die COVID-19-Pandemie verursachten Schäden umgesetzt wurden. Ebenso sollten die kulturellen Unterschiede in den Reaktionen der einzelnen Länder festgestellt sowie die Perspektiven des Weintourismus in der Zukunft analysiert werden. Die Ergebnisse machen deutlich, dass die Weingüter auf Kreativität und Flexibilität setzten und zeigen gleichzeitig kulturelle Unterschiede auf. Wir können schlussfolgern, dass die wichtigsten Initiativen in den Bereichen CRM-Datenbankmanagement, Förderung des Direktverkaufs und der Digitalisierung, Durchführung von virtuellen Veranstaltungen und Verkostungen sowie dem Angebot neuer Methoden der Produktlieferung lagen, wenn auch in sehr unterschiedlichem Ausmaß. Die Erkenntnisse liefern erste Vorschläge für Best-Practice-Strategien, die Unternehmen im Weintourismus in ihre zukünftige Geschäftsplanung einbeziehen können.
Reflections on the evolution of oenological practices in Europe
Authors: Meistermann Eric , Lempereur Valérie , Charrier Frédéric , Cottereau Philippe
Published: February 2023

The regulation of oenological practices put in place in Europe at the beginning of the 20th century was intended to save traditional viticulture from the excesses of liberalism and the manufacture of artificial wines. The foundations of this regulation have been taken up by European texts and are still in force today. Over the last fifteen years, in order to improve the competitiveness of the sector in a context of global competition, practices have become more and more numerous and they are sometimes moving away from these foundations. The new environmental, societal and commercial challenges facing the wine sector may well call into question the current production model and give rise to reflections on the definition of wine.
Vitivinicultura patrimonial frente al cambio climático, desafíos y oportunidades
Authors: Reyes Marisol , Salazar-Parra Carolina
Published: February 2023

La vitivinicultura tradicional de secano en Chile se basa principalmente en la variedad País, siendo posible encontrar viñedos centenarios en diversas zonas. Si bien en los inicios de la viticultura nacional esta variedad fue la predominante, en la actualidad se encuentra relegada a los sectores de secano, es cultivada casi exclusivamente por pequeños productores y se destina en su mayoría a la elaboración de vinos a granel, obteniéndose bajos precios tanto por su uva como por su vino.

El análisis de datos climáticos, en las zonas de producción de la variedad País, muestran que, en las últimas seis décadas, la precipitación ha disminuido en más de un 20%, se han incrementado los días con temperaturas sobre 30 y 35°C y se han intensificado las heladas primaverales. Al evaluar el efecto del alza de temperatura, mediante la utilización de un sistema de estructuras de policarbonato que permiten un calentamiento pasivo, se observaron los efectos sobre el crecimiento de brotes y bayas, la fisiología de la planta y la calidad de uvas. En general los efectos observados frente a un alza de temperatura son menos severos que en otras variedades. Aunque esto puede explicarse desde distintas miradas, se reafirma la rusticidad y aptitud de esta variedad para las condiciones de secano.
Preservation of kinetics parameters generated by Monte Carlo calculations in two-step deterministic calculations
Authors: Takasugi Cole , Martin Nicolas , Labouré Vincent , Ortensi Javier , Ivanov Kostadin , Avramova Maria
Published: February 2023

The generation of accurate kinetic parameters such as mean generation time Λ and effective delayed neutron fraction βeff via Monte Carlo codes is established. Employing these in downstream deterministic codes warrants another step to ensure no additional error is introduced by the low-order transport operator when computing forward and adjoint fluxes for bilinear weighting of these parameters. Another complexity stems from applying superhomogenization (SPH) equivalence in non-fundamental mode approximations, where reference and low-order calculations rely on a 3D full core model. In these cases, SPH factors can optionally be computed for only part of the geometry while preserving reaction rates and K-effective, but the impact of such approximations on kinetics parameters has not been thoroughly studied. This paper aims at studying the preservation of bilinearly-weighted quantities in the Serpent–Griffin calculation procedure. Diffusion and transport evaluations of IPEN/MB-01, Godiva, and Flattop were carried out with the Griffin reactor physics code, testing available modeling options using Serpent-generated multigroup cross sections and equivalence data. Verifying Griffin against Serpent indicates sensitivities to multigroup energy grid selection and regional application of SPH equivalence, introducing significant errors; these were demonstrated to be reduced through the use of a transport method together with a finer energy grid.
Combining circularity and environmental metrics to assess material flows of PV silicon
Authors: Zubas Aistis Rapolas , Fischer Marie , Gervais Estelle , Herceg Sina , Nold Sebastian
Published: February 2023

A product made from virgin raw materials that ends up in a landfill presents a linear supply chain model. Today's photovoltaic (PV) industry is still largely based on this model. With the increasing volume of production, the raw materials required for it, and consequently the volume of waste, the application of circular economy principles in the PV sector can significantly increase its environmental efficiency. This study analyzes the impact of circularity on the supply chain of PV silicon used for PV module production. Four scenarios based on the combination of technological pathways and circularity options are created. Their evaluation is carried out by the methodologies of Material Circularity Indicator (MCI) and Life Cycle Assessment (LCA). The State-of-art case of the PV polysilicon supply chain corresponds to the MCI score of 0.54. Closed-loop circularity solutions provide the MCI score of 0.80 presenting the potential for a circular economy approach in the industry. LCA results show the reduction of environmental impact by 12% with improved circularity. The study presents the benefits of potential circularity options within the supply chain as well as the impact of technological development on the polysilicon demand.
Zooplankton egg bank: characterization and effect of biotic factors on hatching
Authors: García-Zamorano Jair , Jiménez-Contreras Jorge
Published: February 2023

Many zooplankton organisms facing harsh environmental conditions producing resting eggs. Resting eggs accumulate in the sediment and create a resting egg bank. Knowledge on the egg bank structure, morphology and morphometry of the eggs as well as the effect of cues on hatching, contributes to the understanding zooplankton dynamics in lakes. Here we described the composition and structure of zooplankton egg bank from a shallow tropical lake and analyzed the effect of some biotic factors on hatching rates. In order to describe the structure and composition of the resting egg bank, we determined the richness, density, morphology and morphometry of the resting eggs isolated by the sugar flotation method. Diapausing eggs were measured and their external features studied by microphotography under optical microscope and SEM. To analyze the effect of biotic factors on hatching rates, we exposed the resting structures and the entire sediment to three biotic factors: a chlorophyte (Scenedesmus acutus), a cyanobacteria (Microcystis sp.) and a predatory rotifer (Asplanchna girodi). A total of 25 zooplankton species hatched from the sediments. Our results show that the medium density of the healthy-looking diapausing eggs was of 7.6 ± 2 diapausing eggs · cm−3 and that rotifers are the predominant group in the egg bank. Medium conditioned with the chlorophyte and the cyanobacteria resulted in a higher hatching rate. The ornamentations of rotifer diapausing eggs present different features, such as wrinkles and spines, which can help to taxonomic identification without the need of promoting hatching.
Histological evaluation of wound healing by topical phenytoin application on extraction socket: anin vivostudy in albino Wistar rats
Authors: Christopher Maruf , Fazal Amber , Mehdi Muhammad Mutahir , Anthoney Daud , Idrees Qura-Tul-Ain , Javaid Rashid
Published: February 2023

Objective:To investigate the effects of topical phenytoin application on wound healing of extraction socket of albino Wistar rats.Materials and methods:Thirty-six albino Wistar rats were randomly divided into Group A (control), B (1% phenytoin mucoadhesive paste), and C (mucoadhesive paste without phenytoin). All animals were anesthetized followed by first molar extraction. Group A did not receive any agent, whereas, Group B and C received daily application of their respective pastes. Four animals from each group were sacrificed on day 7, 14, and 21 and analyzed histologically.Results:No significant difference was found in blood vessel count among the groups. Statistical increase in percentage of fibroblast in Group B was found as compared with other groups at day 7, whereas, no significant difference was found among groups at day 14. Day 21 showed significant decrease in percentage of fibroblasts in Group B (p-value < 0.001) as compared with Group A and C. Increase in percentage of bone trabeculae in Group B was observed on day 7, 14, and 21 with a significant difference (p-value < 0.05) as compared to Group A and C.Conclusion:Topical application of phenytoin promoted fibroblast proliferation and bone trabeculae formation during healing of extraction socket in rats.
Fabriquer une élite athlétique : le pouvoir socialisateur des objets de consécration sportive
Authors: Forté Lucie
Published: February 2023

Cet article traite de la fabrique des élites sportives et de la construction des vocations dans le milieu de l’athlétisme. En s’intéressant aux survêtements de l’équipe de France, coupes et médailles, il tend à analyser le rôle socialisateur de ces objets chargés de sens et de valeurs. Fondé sur un travail d’enquête qualitative à base d’entretiens et d’observations ethnographiques, il présente les logiques sociales à l’œuvre dans la formation des athlètes de haut niveau. Il vise à interroger les effets des interactions et des socialisations produites par et autour de ces objets de consécration sportive et permet d’insister sur la manière dont ces derniers participent à la fabrique du champion : en contribuant à l’incorporation de schèmes de perception qui nourrissent la croyance en la valeur du sport de haut niveau et les vertus d’un engagement corps et âme, en favorisant le développement d’un rapport enchanté à la carrière sportive ou en prolongeant les effets des rites d’institution destinés à marquer symboliquement les élus de ce « monde à part », leurs usages – à l’intérieur et à l’extérieur de la sphère sportive – participent au travail d’inculcation et de renforcement des vocations sportives
Umweltbewusstsein in der Endoskopie – ist weniger mehr und
hat nachhaltige Endoskopie Einfluss auf die Indikationsstellung?
Authors: Schmitt Sabine , Eickhoff Axel
Published: February 2023

Medizin im Klimawandel – ein beherrschendes Thema in den letzten 3
Jahren, nicht nur wegen der direkten medizinischen Folgen auf
Krankheitsgeschehen und Gesundheitserhaltung, sondern insbesondere auch wegen
der ökologischen und ökonomischen Konsequenzen. Auch in
stationären und ambulanten Versorgungsstrukturen nimmt dies inzwischen
einen breiten Raum ein. Der deutsche Ärztetag hat sich im November 2021
dem Ziel der Klimaneutralität bis zum Jahr 2030 verschrieben. Ein
überaus ambitioniertes Ziel, ist der Gesundheitssektor doch für
5,6% aller deutschlandweiten CO2-Emissionen verantwortlich,
insbesondere durch den hohen Energieverbrauch und den anfallenden Müll
von 6 kg/Tag pro Patient. Dabei sind heute die
Endoskopie-Abteilungen neben OP und Intensivstationen die
drittgrößten Müllverursacher in den Kliniken. Den
größten Einfluss und das höchste Potential zu mehr
Nachhaltigkeit und Ressourcenschonung in der Endoskopie ist jedoch eine
strengere Indikationsstellung mit Vermeidung überflüssiger
Endoskopien und Zweituntersuchungen. Dies macht circa 25% aller
endoskopischen Leistungen aus, die durch eine „choose
wisely“-Strategie sofort vermeidbar wären und damit unmittelbar
zu einer signifikanten Reduktion des CO2-Ausstoßes und
besserer Klimabilanz führen würde. Die ESGE (European Society of
Gastrointestinal Endoscopy) proklamiert in ihrem aktuellen Positionspapier die
strikte Befolgung evidenzbasierter Leitlinienempfehlungen zur Indikation mit
Supervision und Auditierung durch Fachgesellschaften und
Sozialversicherungsträger. Die Einführung eines
Bonus-Malus-Prinzips kann diesen sinnvollen Prozess beschleunigen.
How to Treat Type B Aortic Dissections in the Presence of an Aberrant Right Subclavian Artery: A Systematic Review
Authors: Lombardi Francesco , Mamopoulos Apostolos , Benedik Jaroslav , Katoh Marcus , Kröger Knut , Gäbel Gabor
Published: February 2023

An aberrant right subclavian artery (ARSA) is the most common congenital variant of the aortic arch. Usually, this variation is largely asymptomatic, but sometimes it may be involved in aortic dissection (AD). Surgical management of this condition is challenging. The therapeutic options have been enriched in recent decades by establishing individualized endovascular or hybrid procedures. Whether these less invasive approaches bear advantages, and how they have changed the treatment of this rare pathology, is still unclear. Therefore, we conducted a systematic review. We performed a review of literature from the past 20 years (from January 2000 until February 2021) complying with the Preferred Reporting Items for Systematic Reviews and Meta-analyses guidelines. All reported patients treated for Type B AD in the presence of an ARSA were identified and classified into three groups according to the received therapy (open, hybrid, and total endovascular). Patient characteristics, as well as in-hospital mortality, and major and minor complications were determined and statistically analyzed. We identified 32 relevant publications comprising 85 patients. Open arch repair has been offered to younger patients, but significantly less often in symptomatic patients needing urgent repair. Therefore, the maximum aortic diameter was also significantly larger in the open repair group compared with that in the hybrid or total endovascular repair group. Regarding the endpoints, we did not find significant differences. The literature review revealed that open surgical therapies are preferred in patients presenting with chronic dissections and larger aortic diameters, most likely because they are unsuitable for endovascular aortic repair. Hybrid and total endovascular approaches are more often applied in emergency situations, where aortic diameters remain smaller. All therapies demonstrated good, early, and midterm outcomes. But, these therapies carry potential risks in the long term. Therefore, long-term follow-up data are urgently needed to validate that these therapies are sustainable.
Aortic Root Surgery in Adults: An Unsolved Problem
Authors: Brega Carlotta , Albertini Alberto
Published: February 2023

Nowadays, despite the rapid advancements in interventional cardiology, open surgery still deals with aortic root diseases, to assure the best “ad hoc” treatment. In case of middle-aged adult patients, the optimal operation still represents a matter of debate. A review of the last 10-year literature was conducted, focusing on patients below 65 to 70 years of age. Because of the small sample and the heterogeneity of the papers, no metanalysis was possible. Bentall–de Bono procedure, valve sparing, and Ross operations are the surgical options currently available. The main issues in the Bentall – de Bono operation are lifelong anticoagulation therapy and cavitation in case of mechanical prosthesis implantation and structural valve degeneration in case of biological Bentall. As transcatheter procedures are currently performed as valve in valve, biological prosthesis may be preferable, if the diameter may prevent postoperative high gradients. Conservative techniques, such as remodeling and reimplantation, preferred in the young, guarantee physiologic aortic root dynamics and impose surgical analysis of the aortic root structures to get a durable result. The Ross operation, which shows excellent performance, involves autologous pulmonary valve implantation and is performed only in experienced and high-volume centers. Due to its technical difficulty, it requires a steep learning curve and presents some limitations in specific aortic valve diseases. All three have advantages and downsides, and no ideal solution has still been reported.
Scale dependence of fractal dimension in deterministic and stochastic Lorenz-63 systems
Authors: Alberti T. , Faranda D. , Lucarini V. , Donner R. V. , Dubrulle B. , Daviaud F.
Published: February 2023

Many natural systems show emergent phenomena at different scales, leading to scaling regimes with signatures of deterministic chaos at large scales and an apparently random behavior at small scales. These features are usually investigated quantitatively by studying the properties of the underlying attractor, the compact object asymptotically hosting the trajectories of the system with their invariant density in the phase space. This multi-scale nature of natural systems makes it practically impossible to get a clear picture of the attracting set. Indeed, it spans over a wide range of spatial scales and may even change in time due to non-stationary forcing. Here, we combine an adaptive decomposition method with extreme value theory to study the properties of the instantaneous scale-dependent dimension, which has been recently introduced to characterize such temporal and spatial scale-dependent attractors in turbulence and astrophysics. To provide a quantitative analysis of the properties of this metric, we test it on the well-known low-dimensional deterministic Lorenz-63 system perturbed with additive or multiplicative noise. We demonstrate that the properties of the invariant set depend on the scale we are focusing on and that the scale-dependent dimensions can discriminate between additive and multiplicative noise despite the fact that the two cases have exactly the same stationary invariant measure at large scales. The proposed formalism can be generally helpful to investigate the role of multi-scale fluctuations within complex systems, allowing us to deal with the problem of characterizing the role of stochastic fluctuations across a wide range of physical systems.
Profit improvement strategy of electric vehicle charging stations sharing carbon trading revenue
Authors: Qiang Hao , Tang Wenqi , Hu Yanchun , Sun Xiaopeng , Zheng Jianfeng
Published: February 2023

With the development of electric vehicles (EVs), a large number of electric vehicle charging stations (CSs) have been rapidly rolled out to meet the charging demand of EVs. However, high construction costs and long payback periods motivate investigations to improve the profits of CSs. Considering the profit improvement of CSs and carbon emission reductions, this paper first proposes a carbon revenue model for CSs to participate in the carbon trading market. A charging price strategy is proposed to share the carbon revenue with EV users to reduce the charging cost of users, increase the charging income of CSs, and reduce carbon emissions. By describing the EV users' response to the charging price based on the fuzzy theory, this paper establishes the charging behavior model of EV users and solves the profit optimization of the dynamic charging price model by particle swarm optimization algorithm. Finally, the results of the simulation case demonstrate the effectiveness of the proposed strategy. A sensitivity analysis of various grid power purchase prices illustrates the difference between the fixed and dynamic charging price methods. The dynamic charging price method is superior, and under the power purchase price of 0.5 yuan/kWh, it can lower EV user charging costs by 16.25%, improve CS profits by 30.09%, and reduce carbon emissions by 74.68%.
Modification of three-magnon splitting in a flexed magnetic vortex
Authors: Körber L. , Heins C. , Soldatov I. , Schäfer R. , Kákay A. , Schultheiss H. , Schultheiss K.
Published: February 2023

We present an experimental and numerical study of three-magnon splitting in a micrometer-sized magnetic disk with a vortex state strongly deformed by static in-plane magnetic fields. Excited with large enough power at frequency fRF, the primary radial magnon modes of a cylindrical magnetic vortex can decay into secondary azimuthal modes via spontaneous three-magnon splitting. This nonlinear process exhibits selection rules leading to well-defined and distinct frequencies fRF/2±Δf of the secondary modes. Here, we demonstrate that three-magnon splitting in vortices can be significantly modified by deforming the magnetic vortex with in-plane magnetic fields, leading to a much richer three-magnon response. We find that, with increasing field, an additional class of secondary modes is excited, which are localized to highly flexed regions adjacent to the displaced vortex core. While these modes satisfy the same selection rules of three-magnon splitting, they exhibit much lower three-magnon threshold power compared to regular secondary modes of a centered vortex. The applied static magnetic fields are small (≃10 mT), providing an effective parameter to control the nonlinear spectral response of confined vortices. Our work expands the understanding of nonlinear magnon dynamics in vortices and advertises these for potential neuromorphic applications based on magnons.
Snap-through energy harvester with buckled mechanism and hierarchical auxetic structures for ultra-low-frequency rotational excitations
Authors: Fang Shitong , Chen Keyu , Lai Zhihui , Zhou Shengxi , Liao Wei-Hsin
Published: February 2023

In this Letter, a snap-through energy harvester is proposed to break through the energy output bottleneck of ultra-low-frequency (<1 Hz) rotational energy harvesting. On one hand, a buckled mechanism provides large-amplitude snap-through motion that enhances the output power. On the other hand, the hierarchical auxetic structures enable the simultaneous operation of d31 and d32 modes of piezoelectric buzzers and boosts the energy harvested. Moreover, both the buckled mechanism and auxetic structures can reduce the fundamental natural frequency of the total system. A finite element model is established to predict the harvester performances, which are validated via experiments. Experimental results show that the integration of the buckled mechanism and auxetic structures can improve the output power by 3224.75% at 0.5 Hz. Specifically, the proposed harvester can achieve an output power of 146.2 μW and a normalized power density of 1.392 μW/mm3 Hz2 at 0.5 Hz, which are superior to other state-of-the-art rotational piezoelectric energy harvesters. Therefore, the proposed harvester can provide sufficient energy for low-power sensors at ultra-low rotational frequencies and has a great application potential in the structural health monitoring of wind turbine blades.
Virtual wave based phasor field projection for photoacoustic imaging
Authors: Liu Siyu , Feng Xiaohua , Jiang Daohuai , Gao Fei , Zhao Yongjian , Liu Li
Published: February 2023

The phasor field technique has been demonstrated as a powerful tool to improve imaging performance and reduce computational complexity in time of flight imaging. In this work, we show a similar description and propose phasor field photoacoustics (PAs), a framework for forward acoustic propagation and backward source reconstruction, using phasor representations of acoustic pressure and back projection events. Based on the linear propagation mechanism, this method employs complex phasor filters to decompose the photoacoustic wave into pairs of orthogonal virtual waves, wherein each pair of orthogonal waves corresponds to the real and imaginary parts of the quasi-monochromatic phasor field contribution. By performing phasor field projection (PFP) and thereafter conjugated multiplication in the spatial domain, the complex envelope containing local amplitude and phase information can be faithfully retrieved, attaining rigorous “unipolar” photoacoustic images without ambiguous negative absorption artifacts. Theoretical and experimental results demonstrate that the orthogonal virtual wave based phasor field photoacoustic method can effectively eliminate negative artifacts and improve imaging signal-to-noise ratio (SNR) without excessively increasing computational complexity. This work may pave the way for high-fidelity quantitative imaging, e.g., multispectral and molecular imaging applications.
Structures and stabilities of PAH clusters solvated by water aggregates: The case of the pyrene dimer
Authors: Leboucher H. , Simon A. , Rapacioli M.
Published: February 2023

Although clusters made of polycyclic aromatic hydrocarbon and water monomers are relevant objects in both atmospheric and astrophysical science, little is known about their energetic and structural properties. In this work, we perform global explorations of the potential energy landscapes of neutral clusters made of two pyrene units and one to ten water molecules using a density-functional-based tight-binding (DFTB) potential followed by local optimizations at the density-functional theory level. We discuss the binding energies with respect to various dissociation channels. It shows that cohesion energies of the water clusters interacting with a pyrene dimer are larger than those of the pure water clusters, reaching for the largest clusters an asymptotic limit similar to that of pure water clusters and that, although the hexamer and octamer can be considered magic numbers for isolated water clusters, it is not the case anymore when they are interacting with a pyrene dimer. Ionization potentials are also computed by making use of the configuration interaction extension of DFTB, and we show that in cations, the charge is mostly carried by the pyrene molecules.
Plasma-treated carbon nanotubes for fast infrared bolometers
Authors: Kurtukova Tatiana N. , Kopylova Daria S. , Raginov Nikita I. , Khabushev Eldar M. , Novikov Ilya V. , Serebrennikova Svetlana I. , Krasnikov Dmitry V. , Nasibulin Albert G.
Published: February 2023

Carbon nanotube films are a promising class of materials for bolometric photodetectors due to a unique combination of extremely thin (nm-sized) free-standing form factor with small thermal capacity and intriguing electronic and optical properties, thereby, ensuring high sensitivity and high speed of operation. Nevertheless, the key parameter for bolometric sensor material—the temperature coefficient of resistance (TCR)—is unacceptably low limiting the application of the carbon nanotube films. Here, we examine the plasma treatment of single-walled carbon nanotube (SWCNT) films as the effective method for the TCR enhancement. We study the effect of different plasma gases (oxygen, nitrogen, and hydrogen) on the conductivity of treated films. Also, we investigate the effect of defectiveness, length, and bundling degree of the SWCNTs on TCR. The optimized procedure allows to increase the TCR up to 1.7% K−1 by modulus at 100 K and to 0.8% K−1 at 300 K. The bolometer prototypes based on the plasma-treated SWCNT films demonstrate high sensitivity over a wide IR range (∼21 V/W), a short response time (∼1 ms), and low noise equivalent power (∼8 × 10−9 W Hz−1/2) at the temperature of 100 K.
Accelerated coupled cluster calculations with Procrustes orbital interpolation
Authors: Schrader Simon Elias , Kvaal Simen
Published: February 2023

The coupled cluster method is considered a gold standard in quantum chemistry, reliably giving energies that are exact within chemical accuracy (1.6 mhartree). However, even in the coupled cluster single-double (CCSD) approximation, where the cluster operator is truncated to include only single and double excitations, the method scales as O(N6) in the number of electrons, and the cluster operator needs to be solved for iteratively, increasing the computation time. Inspired by eigenvector continuation, we present here an algorithm making use of the Gaussian processes that provides an improved initial guess for the coupled cluster amplitudes. The cluster operator is written as a linear combination of sample cluster operators that are obtained at particular sample geometries. By reusing the cluster operators from previous calculations in that way, it is possible to obtain a start guess for the amplitudes that surpasses both MP2 guesses and “previous geometry”-guesses in terms of the number of necessary iterations. As this improved guess is very close to the exact cluster operator, it can be used directly to calculate the CCSD energy to chemical accuracy, giving approximate CCSD energies scaling as O(N5).
Molecular modification effects on the electrochromic and photochromic properties of diarylethene with intramolecular isomerization behavior
Authors: Huang Luyan , Zhao Yongze , Huang Zehua , Tang Xinyuan , Liang Xuefeng , Zhang Lisheng , He Yan , Li Huifang
Published: February 2023

Diarylethene (DAE) is one of the most widely used functional units for electrochromic or photochromic materials. To better understand the molecular modification effects on the electrochromic and photochromic properties of DAE, two modification strategies, substitution with functional groups or heteroatoms, were investigated theoretically by density functional theory calculations. It is found that red-shifted absorption spectra caused by a decreased highest occupied molecular orbital–lowest unoccupied molecular orbital energy gap and S0 → S1 transition energy during the ring-closing reaction become more significant by adding different functional substituents. In addition, for two isomers, the energy gap and S0 → S1 transition energy decreased by heteroatom substitution of S atoms with O or NH, while they increased by replacing two S atoms with CH2. For intramolecular isomerization, one-electron excitation is the most effective way to trigger the closed-ring (O → C) reaction, while the open-ring (C → O) reaction occurs most readily in the presence of one-electron reduction. Moreover, it is confirmed that substitution with strong electron donating groups (–OCH3/–NH2) or with one O/two CH2 heteroatoms leads to a more favorable closed-ring (O → C) reaction. Functionalized with strong electron-withdrawing groups (–NO2 and –COOH) or one/two NH heteroatom substitutions, the open-ring (C → O) reaction is easier. Our results confirmed that the photochromic and electrochromic properties of DAE can be tuned effectively by molecular modifications, which provides theoretical guidance for the design of new DAE-based photochromic/electrochromic materials.
Refined theoretical values of field and mass isotope shifts in thallium to extract charge radii of Tl isotopes
Authors: Penyazkov Gleb , Prosnyak Sergey D. , Barzakh Anatoly E. , Skripnikov Leonid V.
Published: February 2023

Electronic factors for the field and mass isotope shifts in the 6p 2P3/2 → 7s 2S1/2 (535 nm), 6p 2P1/2 → 6d 2D3/2 (277 nm), and 6p 2P1/2 → 7s 2S1/2 (378 nm) transitions in neutral thallium were calculated within the high-order relativistic coupled cluster approach. These factors were used to reinterpret previous experimental isotope shift measurements in terms of charge radii of a wide range of Tl isotopes. Good agreement between theoretical and experimental King-plot parameters was found for the 6p 2P3/2 → 7s 2S1/2 and 6p 2P1/2 → 6d 2D3/2 transitions. It was shown that the value of the specific mass shift factor for the 6p 2P3/2 → 7s 2S1/2 transition is not negligible compared with the value of normal mass shift in contrast to what had been suggested previously. Theoretical uncertainties in the mean square charge radii were estimated. They were substantially reduced compared with the previously ascribed ones and amounted to less than 2.6%. The achieved accuracy paves the way for a more reliable comparison of the charge radii trends in the lead region.
Cooperative hydrogen bonding in thiazole⋯(H2O)2 revealed by microwave spectroscopy
Authors: Gougoula Eva , Cummings Charlotte N. , Xu Yugao , Lu Tao , Feng Gang , Walker Nicholas R.
Published: February 2023

Two isomers of a complex formed between thiazole and two water molecules, thi⋯(H2O)2, have been identified through Fourier transform microwave spectroscopy between 7.0 and 18.5 GHz. The complex was generated by the co-expansion of a gas sample containing trace amounts of thiazole and water in an inert buffer gas. For each isomer, rotational constants, A0, B0, and C0; centrifugal distortion constants, DJ, DJK, d1, and d2; and nuclear quadrupole coupling constants, χaa(N) and [χbb(N) − χcc(N)], have been determined through fitting of a rotational Hamiltonian to the frequencies of observed transitions. The molecular geometry, energy, and components of the dipole moment of each isomer have been calculated using Density Functional Theory (DFT). The experimental results for four isotopologues of isomer I allow for accurate determinations of atomic coordinates of oxygen atoms by r0 and rs methods. Isomer II has been assigned as the carrier of an observed spectrum on the basis of very good agreement between DFT-calculated results and a set of spectroscopic parameters (including A0, B0, and C0 rotational constants) determined by fitting to measured transition frequencies. Non-covalent interaction and natural bond orbital analyses reveal that two strong hydrogen bonding interactions are present within each of the identified isomers of thi⋯(H2O)2. The first of these binds H2O to the nitrogen of thiazole (OH⋯N), and the second binds the two water molecules (OH⋯O). A third, weaker interaction binds the H2O sub-unit to the hydrogen atom that is attached to C2 (for isomer I) or C4 (for isomer II) of the thiazole ring (CH⋯O).
Sexual mixing patterns in men who have sex with men: network approaches for smart resource allocation
Authors: Smith M. Kumi , Graham Matthew , Harripersaud Katherine , Zhu Qiuying , Lan Guanghua , Shen Zhiyong , Tang Shuai
Published: February 2023

Background Age-based sexual mixing patterns in men who have sex with men (MSM) can greatly inform strategic allocation of intervention resources to subsets of the population for the purpose of preventing the greatest number of new HIV infections. Methods Egocentric network data collected from MSM participating in annual HIV sentinel surveillance surveys were used to assess age-dependent mixing and to explore its epidemiological implications on the risk of HIV transmission risk (among those HIV-infected) and HIV acquisition risk (among those not infected). Results Mixing in this sample of 1605 Chinese MSM is relatively age assortative (the average of values expressing the degree of preferential mixing were 2.01 in diagonal cells vs 0.87 in off-diagonal cells). Expected numbers of HIV acquisition were highest in the 20–24 years age group; those for HIV transmissions were highest among 25–29 year olds. The risk of both acquisition and transmission was highest in age groups that immediately follow the most commonly reported ages of sexual debut in this population (i.e. age 20). Conclusions These findings suggest that combination prevention resources should be targeted at younger MSM who are at higher risk of both transmission and acquisition. Programs may also do well to target even younger age groups who have not yet debuted in order to establish prevention effects before risky sexual behaviours begin. More research on optimal strategies to access these harder-to-reach subsets of the MSM population is needed. Findings also support ongoing efforts for public health practitioners to collect network data in key populations to support more empirically driven strategies to target prevention resources.
Advancing interdisciplinary science for disrupting wildlife trafficking networks
Authors: Gore Meredith L. , Griffin Emily , Dilkina Bistra , Ferber Aaron , Griffis Stanley E. , Keskin Burcu B. , Macdonald John
Published: February 2023

Wildlife trafficking, whether local or transnational in scope, undermines sustainable development efforts, degrades cultural resources, endangers species, erodes the local and global economy, and facilitates the spread of zoonotic diseases. Wildlife trafficking networks (WTNs) occupy a unique gray space in supply chains—straddling licit and illicit networks, supporting legitimate and criminal workforces, and often demonstrating high resilience in their sourcing flexibility and adaptability. Authorities in different sectors desire, but frequently lack knowledge about how to allocate resources to disrupt illicit wildlife supply networks and prevent negative collateral impacts. Novel conceptualizations and a deeper scientific understanding of WTN structures are needed to help unravel the dynamics of interaction between disruption and resilience while accommodating socioenvironmental context. We use the case of ploughshare tortoise trafficking to help illustrate the potential of key advancements in interdisciplinary thinking. Insights herein suggest a significant need and opportunity for scientists to generate new science-based recommendations for WTN-related data collection and analysis for supply chain visibility, shifts in illicit supply chain dominance, network resilience, or limits of the supplier base.
Resolving the enigma of Iquitos and Manaus: A modeling analysis of multiple COVID-19 epidemic waves in two Amazonian cities
Authors: He Daihai , Lin Lixin , Artzy-Randrup Yael , Demirhan Haydar , Cowling Benjamin J. , Stone Lewi
Published: February 2023

The two nearby Amazonian cities of Iquitos and Manaus endured explosive COVID-19 epidemics and may well have suffered the world’s highest infection and death rates over 2020, the first year of the pandemic. State-of-the-art epidemiological and modeling studies estimated that the populations of both cities came close to attaining herd immunity (>70% infected) at the termination of the first wave and were thus protected. This makes it difficult to explain the more deadly second wave of COVID-19 that struck again in Manaus just months later, simultaneous with the appearance of a new P.1 variant of concern, creating a catastrophe for the unprepared population. It was suggested that the second wave was driven by reinfections, but the episode has become controversial and an enigma in the history of the pandemic. We present a data-driven model of epidemic dynamics in Iquitos, which we also use to explain and model events in Manaus. By reverse engineering the multiple epidemic waves over 2 y in these two cities, the partially observed Markov process model inferred that the first wave left Manaus with a highly susceptible and vulnerable population (≈40% infected) open to invasion by P.1, in contrast to Iquitos (≈72% infected). The model reconstructed the full epidemic outbreak dynamics from mortality data by fitting a flexible time-varying reproductive number

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while estimating reinfection and impulsive immune evasion. The approach is currently highly relevant given the lack of tools available to assess these factors as new SARS-CoV-2 virus variants appear with different degrees of immune evasion.
Collective magnetotaxis of microbial holobionts is optimized by the three-dimensional organization and magnetic properties of ectosymbionts
Authors: Chevrier Daniel M. , Juhin Amélie , Menguy Nicolas , Bolzoni Romain , Soto-Rodriguez Paul E. D. , Kojadinovic-Sirinelli Mila , Paterson Greig A. , Belkhou Rachid , Williams Wyn , Skouri-Panet Fériel , Kosta Artemis , Le Guenno Hugo , Pereiro Eva , Faivre Damien , Benzerara Karim , Monteil Caroline L. , Lefevre Christopher T.
Published: February 2023

Over the last few decades, symbiosis and the concept of holobiont—a host entity with a population of symbionts—have gained a central role in our understanding of life functioning and diversification. Regardless of the type of partner interactions, understanding how the biophysical properties of each individual symbiont and their assembly may generate collective behaviors at the holobiont scale remains a fundamental challenge. This is particularly intriguing in the case of the newly discovered magnetotactic holobionts (MHB) whose motility relies on a collective magnetotaxis (i.e., a magnetic field-assisted motility guided by a chemoaerotaxis system). This complex behavior raises many questions regarding how magnetic properties of symbionts determine holobiont magnetism and motility. Here, a suite of light-, electron- and X-ray-based microscopy techniques [including X-ray magnetic circular dichroism (XMCD)] reveals that symbionts optimize the motility, the ultrastructure, and the magnetic properties of MHBs from the microscale to the nanoscale. In the case of these magnetic symbionts, the magnetic moment transferred to the host cell is in excess (102to 103times stronger than free-living magnetotactic bacteria), well above the threshold for the host cell to gain a magnetotactic advantage. The surface organization of symbionts is explicitly presented herein, depicting bacterial membrane structures that ensure longitudinal alignment of cells. Magnetic dipole and nanocrystalline orientations of magnetosomes were also shown to be consistently oriented in the longitudinal direction, maximizing the magnetic moment of each symbiont. With an excessive magnetic moment given to the host cell, the benefit provided by magnetosome biomineralization beyond magnetotaxis can be questioned.