bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational study, synthesis and evaluation of active peptides derived from Parasporin-2 and spike protein from Alphacoronavirus against colorectal cancer cells
Authors: Cruz Jenniffer , Suárez-Barrera Miguel Orlando , Rondón-Villarreal Paola , Olarte-Diaz Andrés , Guzmán Fanny , Visser Lydia , Rueda-Forero Nohora Juliana 
Published: November 2021

Abstract
Parasporin-2Aa1 (PS2Aa1) is a toxic protein of 37 KDa (30 kDa, activated form produced by proteolysis) that was shown to be cytotoxic against specific human cancer cells, although its mechanism of action has not been elucidated yet. In order to study the role of some native peptide fragments of proteins on anticancer activity, here we investigated the cytotoxic effect of peptide fragments from domain-1 of PS2Aa1 and one of the loops present in the binding region of the virus spike protein from Alphacoronavirus (HCoV-229E), the latter according to scientific reports, who showed interaction with the human APN (h-APN) receptor, evidence corroborated through computational simulations, and thus being possible active against colon cancer cells. Peptides namely P264-G274, Loop1-PS2Aa, and Loop2-PS2Aa were synthesized using the Fmoc solid-phase synthesis and characterized by mass spectrometry (MS). Additionally, one region from loop 1 of HCoV-229E, Loop1-HCoV-229E, was also synthesized and characterized. The A4W-GGN5 anticancer peptide and 5-fluorouracil (5-FU) were taken as a control in all experiments. Circular dichroism revealed an α-helix structure for the peptides derived from PS2Aa1 (P264-G274, Loop1-PS2Aa, and Loop2-PS2Aa) and β-laminar structure for the peptide derived from Alphacoronavirus spike protein Loop1-HCoV-229E. Peptides showed a hemolysis percentage of less than 20% at 100 µM concentration. Besides, peptides exhibited stronger anticancer activity against SW480 and SW620 cells after exposure for 48 h. Likewise, these compounds showed significantly lower toxicity against normal cells CHO-K1. The results suggest that native peptide fragments from Ps2Aa1 may be optimized as a novel potential cancer-therapeutic agents.
Deexcitation rate coefficients of C3 by collision with H2 at low temperatures
Authors: Santander Carlos , Denis-Alpizar Otoniel , Cárdenas Carlos 
Published: November 2021

Context. An accurate analysis of the physical-chemical conditions in the regions of the interstellar medium in which C3 is observed requires knowing the collisional rate coefficients of this molecule with He, H2, electrons, and H.
Aims. The main goals of this study are to present the first potential energy surface for the C3 +H2 complex, to study the dynamics of the system, and to report a set of rate coefficients at low temperature for the lower rotational states of C3 with para- and ortho-H2.
Methods. A large grid of ab initio energies was computed at the explicitly correlated coupled-cluster with single-, double-, and perturbative triple-excitation level of theory, together with the augmented correlation-consistent quadruple zeta basis set (CCSD(T)-F12a/aug-cc-pVQZ). This grid of energies was fit to an analytical function. The potential energy surface was employed in close-coupling calculations at low collisional energies.
Results. We present a high-level four-dimensional potential energy surface (PES) for studying the collision of C3 with H2. The global minimum of the surface is found in the linear HH-CCC configuration. Rotational deexcitation state-to-state cross sections of C3 by collision with para- and ortho-H2 are computed. Furthermore, a reduced two-dimensional surface is developed by averaging the surface over the orientation of H2. The cross sections for the collision with para-H2 using this approximation and those from the four-dimensional PES agree excellently. Finally, a set of rotational rate coefficients for the collision of C3 with para- and ortho-H2 at low temperatures are reported.
CABRI test events monitoring through three measurement systems
Authors: Grando Quentin , Lebreton Léna , Chevalier Vincent , Di Salvo Jacques , Eymery Stéphane , Gaillard Claude , Monchalin Nathalie , Guillot Jérôme 
Published: November 2021

The CABRI experimental pulse reactor, located at the Cadarache nuclear research center, southern France, is devoted to the study of Reactivity Initiated Accidents (RIA). When the thermal-hydraulic conditions representative of a pressurized water nuclear reactor are reached (mostly temperature, pressure and flowrate conditions), a fuel test rod is submitted to a power excursion, triggered by the specific 3He reactivity injection system, in order to simulate a control rod ejection accident. The experiment, managed by IRSN, aims at studying both the fuel and cladding behavior of the test rod placed into the center of the reactor during the power excursion.
Several test rods pre-irradiated in pressurized nuclear power plants and with different characteristics (burn up, cladding material, fuel type, Zirconia thickness) are considered for the programs performed in the CABRI reactor.
Physical phenomena occurring during the power transient are monitored by various measuring systems designed or operated by IRSN. Each system provides information linked with the different phases of the experiment. Three main measuring systems will be considered in this paper:
• The test devices, a sample holder that is also implemented with almost fifty sensors used to monitor the environmental parameters in the test channel such as temperature and pressure, and to control the rod behavior during the test sequence;
• The Hodoscope, an online fuel motion measurement system, which aims at analyzing the fuel motion deduced from the detection of fast neutrons emitted by the test rod, with a time step of 1ms during the transient;
• The IRIS facility, conceived to perform X-ray radiography and tomography imaging before and after a power transient thanks to a linear electron accelerator, as well as quantitative gamma scanning analyses.
During the experimental sequence, different events are recorded. This paper focuses on a cladding failure that occurred during the transient and that can be revealed by the three systems mentioned above. The test device instrumentation allows to determine the timing of the failure and to analyze its consequences in the vicinity of the test rod from a thermal and hydraulic point of view, while the hodoscope measures fuel elongation and relocation during the power excursion.
The IRIS facility, then, helps to confirm the failure, its location and its extent. These three systems are complementary and they allow the analysis of the same event from different perspectives. Their combination will ease the interpretation of the events in the next steps for the test results analysis. The study case taken into account in this paper concerns nuclear fuel after three irradiation cycles in a commercial PWR.
Similar stress repartition for a standard uncemented collared femoral stem versus a shortened collared femoral stem
Authors: Batailler Cécile , Shatrov Jobe , Schmidt Axel , Servien Elvire , Puch Jean Marc , Lustig Sébastien 
Published: November 2021

Introduction: The design of uncemented femoral stems for use in total hip arthroplasty has evolved. Several uncemented short stems have been developed with different bone fixations, shapes, or stem lengths. The literature analyzing the biomechanical performance of short to standard stem lengths is limited. The aim was to compare the stress repartition on a standard uncemented stem and a shortened uncemented femoral stem with the same design features. Material and methods: This finite element analysis assessed the stress repartition on two femoral components with the same design (uncemented, collared, proximal trapezoidal cross-section, and a tapered quadrangular distal stem) but with two different lengths. The shortened stem was shorter by 40 mm compared to the standard stem. The stress repartition was analysed according to the Von Mises criterion. Results: The stress repartition was similar for the standard and shorter stem without significant difference (p = 0.94). The mean Von Mises stress was 58.1 MPa [0.2; 154.1] for the standard stem and 57.2 MPa [0.03; 160.2] for the short stem. The distal part of the standard stem, which was removed in the short stem, had mean stress of 3.7 MPa [0.2; 7.0]. Conclusion: The finite element analysis found similar stress repartitions between a standard uncemented collared stem and a short, collared stem with the same design. A clinical study assessing the clinical outcomes and the bone remodelling with a collared short stem would be interesting to confirm these first promising results.
Diagnostik und Therapie des Pankreaskarzinoms
Authors: Wenzel Patrick , von Figura Guido 
Published: November 2021

ZUSAMMENFASSUNGDas Pankreaskarzinom bleibt trotz moderner Diagnostik und zielgerichteter Therapien prognostisch sehr ungünstig. Gründe sind das bei Diagnose häufig fortgeschrittene oder metastasierte Stadium und die Tumorbiologie. Der Beitrag gibt einen Überblick über Differenzialdiagnosen, eine sinnvolle Diagnostik, die Verbesserung der operativen Therapie, Möglichkeiten palliativer Chemotherapien sowie die Therapie bei BRCA-Mutation.
Initial Assessment of the Facial Trauma Patient
Authors: Esonu Onyi , Sardesai Maya G. 
Published: November 2021

AbstractThe initial evaluation of the craniofacial trauma patient must be systematic, thorough, and consistent to ensure that injuries are not missed. Life-threatening conditions are first identified using ATLS principles, and focused head and neck examination conducted by a specialist then follows. Imaging is used to guide operative planning, as many craniofacial injuries ultimately benefit from repair to prevent permanent cosmetic or functional deformity. Peri-operative care is often multi-disciplinary in nature, and specialist consultation should be performed in an efficient fashion. Finally, it should be noted that surgeons operating in the maxillofacial region are at high risk for transmission of COVID-19, and risk of COVID-19 sequelae must be balanced with risks associated with the delay of treatment of craniofacial injury.
The small molecule Zaractin activates ZAR1-mediated immunity in
Arabidopsis
Authors: Seto Derek , Khan Madiha , Bastedo D. Patrick , Martel Alexandre , Vo Trinh , Guttman David , Subramaniam Rajagopal , Desveaux Darrell 
Published: November 2021

Significance
Pathogenic microbes inject virulence proteins, termed effectors, into the cells of their hosts where they sabotage the cellular machinery and promote the infection process. However, plant and animal cells have evolved the ability to sense the molecular activities of these pathogenic proteins and mount an immune response to protect against infection. Here we have identified a chemical that mimics the immune eliciting activity of a pathogenic effector protein and importantly, it also activates immune responses in plants. We showcase how the intricate molecular dialog of the host–pathogen interface can be used to uncover chemical immunogens that specifically activate the eukaryotic immune system to prevent disease.
Comparison of international tourist profiles in the Spanish wine and olive oil PDOs.
Authors: Barreal Pernas Jesús , Jannes Gil 
Published: November 2021

Abstract

This chapter, by Jesús Barreal Pernas and Gil Jannes, deals with gastro-tourism in Spain and studies the international tourist profile in the Spanish wine and olive oil Protected Destinations of Origin (PDOs). Specifically, the study focuses on regions that have such PDOs and examines the differences and similarities among the profiles of international tourists that visit them. The study concludes with a classification of four clusters according to demographic, travel and motivational characteristics of tourists in the particular area.
Lamb-dip cavity ring-down spectroscopy of acetylene at 1.4 μm
Authors: Fasci E , Gravina S , Porzio G , Castrillo A , Gianfrani L 
Published: November 2021

Abstract
Doppler-free saturated-absorption Lamb dips are observed for weak vibration-rotation transitions of C2H2 between 7167 and 7217 cm−1, using a frequency-comb assisted cavity ring-down spectrometer based on the use of a pair of phase-locked diode lasers. We measured the absolute center frequency of sixteen lines belonging to the 2

ν

3

+

ν

5

1

band, targeting ortho and para states of the molecule. Line pairs of the P and Q branches were selected so as to form a ‘V’-scheme, sharing the lower energy level. Such a choice made it possible to determine the rotational energy separations of the excited vibrational state for J-values from 11 to 20. Line-center frequencies are determined with an overall uncertainty between 3 and 13 kHz. This is over three orders of magnitude more accurate than previous experimental studies in the spectral region around the wavelength of 1.4 μm. The retrieved energy separations provide a stringent test of the so-called MARVEL method recently applied to acetylene.
Spatial analysis for crowds in multi-directional flows based on large-scale experiments
Authors: Cao Shuchao , Sun Feiyang , Chraibi Mohcine , Jiang Rui 
Published: November 2021

Abstract
In this paper, spatial analysis for the nearest neighbors is performed in the unidirectional, bidirectional and crossing flows. Based on the intended direction given in the experiment, different types of neighbors such as U-ped (neighbor with the same intended direction), B-ped (neighbor with the opposite intended direction) and C-ped (neighbor with the intersecting intended direction) are defined. The preferable positions of these neighbors during movement are investigated under various conditions. The spatial relation is quantified by calculating the distance and angle between the reference pedestrian and neighbors. The results indicate that the distribution of neighbors is closely related to the neighbor’s order, crowd density, neighbor type and flow type. Furthermore, the reasons that result in these distributions for different neighbors are explored. Finally neighbor distributions for different flows are compared and the implications of this research are discussed. The spatial analysis sheds new light on the study of pedestrian dynamics in a different perspective, which can help to develop and validate crowd models in the future.
A machine-learning model for the prediction of aggregated building heating demand from pan-European land-use maps
Authors: Peronato G , Boghetti R , Kämpf J H 
Published: November 2021

Abstract
Aggregated building energy demand is a useful indicator for urban energy planning. It can be used by planners and decision-makers to identify clusters of high energy demand in a given urban area and efficiently plan, for example, district heating networks. Various data sources exist at the pan-European level describing land use and built areas. Combined with statistical data, such maps have been used in previous research for estimating building energy performance aggregated at the hectare level, using engineering assumptions. In this paper, we show that large-scale land-use maps alone can be used for predicting annual building energy demand with an accuracy comparable to the one of previous engineering models. We hence present a preliminary method based on Convolutional Neural Networks at different spatial resolutions. The resulting model was trained and tested in an area of about 170 km1 in Geneva (Switzerland) using a local annual heating demand dataset comprising 16239 buildings. On a 300-m aggregation tile, the obtained mean error (14.3%) is significantly reduced compared to the one of a simple linear model (37.2%). Using solely land-use data, we also achieve similar results for a 100-m tile as those of an engineering model from the literature.
Benchmarking of data predictive control in a real-life apartment during heating season
Authors: Huber Benjamin , Bünning Felix , Decoussemaeker Antoon , Heer Philipp , Aboudonia Ahmed , Lygeros John 
Published: November 2021

Abstract
Model Predictive Control is an energy efficient climate control strategy in buildings. However, the effort associated with physics-based modelling seems to prevent widespread application in residential buildings. Applying machine-learning algorithms on historical data promises efficient generation of predictive models for control. In a recent experimental study, Data Predictive Control based on random forests and linear models outperformed a baseline controller during cooling season. In this paper, the approach is benchmarked against hysteresis control and conventional Model Predictive Control based on an RC-network model during heating season. Data Predictive Control shows promising results in terms of energy consumption and thermal comfort.
Temperature level optimization for low-grade thermal networks using the exergy method
Authors: Adihou Yolaine , Kane Malick , Ramousse Julien , Souyri Bernard 
Published: November 2021

Abstract
Low-temperature thermal networks open the field for additional renewable and recovered energy sources to be used. The exploitation of low exergy level resources requires decentralized heat pumps having a significant impact on the network's overall electricity consumption. Thus, a compromise must be found in order to minimize thermal and electrical consumption while integrating a maximum of renewable energy sources. This optimum is governed by the temperature level of the network. This paper aims at determining the optimal network temperature using the exergy criterion. The exergy method is detailed and applied to the multi-source network blueCAD (Fribourg) fed by geothermal energy, and FriCAD, a high temperature district heating network. The optimum temperature decreases as the share of geothermal energy in the production increases. For blueCAD, it ranges from 40 to 55 °C.
Experiment strategy for evaluating advanced building energy management system
Authors: Cai Hanmin , Khayatian Fazel , Heer Philipp 
Published: November 2021

AbstractBuildings are envisioned to play an active role in future low-carbon energy systems. The complexity of building energy management systems increases as they interface more and more subsystems and domains. As an important step to achieve a higher technology readiness level, these energy management systems need to be systematically tested in real-life conditions. Currently, there are no standard testing and experiment strategies in buildings to handle the mentioned complexity. Additionally, the levels of details reported in the existing experimental studies are heterogeneous. This paper summarizes an application of a holistic testing method to a flexible fully-equipped prosumer with the goal of facilitating test preparation, execution, replication, and comparison. Several empirical suggestions are provided, and a hybrid quantification strategy with digital twins is presented.
Industrial Waste Heat District-Heating Design Based on Geographic Information System: Case Study in Vitoria-Gasteiz (Spain)
Authors: Lumbreras Mikel , Diarce Gonzalo , Martin-Escudero Koldobika , Campos-Celador Alvaro , Larrinaga Pello 
Published: November 2021

Abstract
The use of georeferenced information system and Light Detection and Ranging (LiDAR) data in combination with traditional data analytics tools is very promising in urban scale engineering and especially in energy urban planning. This paper explores the use of new DH networks for industrial waste heat exploitation and for that purpose, a case-study in Vitoria-Gasteiz (Spain) is proposed. The methodology explained in this paper explores the incorporation of data from industrial emplacements, buildings and road network in order to identify optimal areas in the city for the construction of a new district-heating network. An area of influence of a buffer of radius 1.5km from the industry location is defined and the proposed algorithm divides this area into grids of different sizes. The path for the network is calculated by optimizing the economic performance of the network. The results show that the district-heating may be built in the south-west direction from the industry and among the 40 configurations studied, payback periods from 6 to 8.5 years are obtained.
Development and initial tests of an urban comfort monitoring system
Authors: Chiesa Giacomo , Yingjun Luo , Yuxuan Sheng , Guoxin Wang , Bolun Zhang 
Published: November 2021

Abstract
The paper presents a newly developed low-cost measurement system for outdoor comfort monitoring. The solution is based on IoT (Internet of Things) technologies and is cloud-connected. The system is able to collect physical environment data, and includes a movable GPS monitoring station as well as the subjective thermal sensation of pedestrians via a devoted app. The cloud interface promptly elaborates the received data to calculate outdoor thermal comfort indices such as UTCI (Universal Thermal Climate Index), MRT (mean radiant temperature), and ET (effective temperature). The system is conceived for supporting both fixed and traveling measurements, and to support correlation studies between monitored environmental variables and personal comfort sensations to promote the local adaptation of comfort indices. Results from early testing are also reported.
Evaporative cooling strategies in urban areas: The potential of vertical greening systems to reduce nocturnal heat stress
Authors: Görgen Fabian , Rossi-Schwarzenbeck Monica 
Published: November 2021

Abstract
This research is part of a project that aims to create a simulation workflow to design adaptive facades to not only reduce the energy demand of buildings and provide a good level of indoor comfort. but also to mitigate the urban heat island effect. The anthropogenic climate change results in a steady increase of hot days. tropical nights and heavy rainfall. affecting the quality of human comfort. especially in urban areas not only in hot regions of the world but also in Central Europe. Vertical greening systems are often a first-choice mitigation strategy to improve the deteriorating situation. By combining the use of natural resources like rainwater and solar radiation. the greening evaporates water and provides natural cooling. This paper deals with the efficiency and feasibility of vertical greening systems towards a relief in heat stress by simulating different constructions under local circumstances of three climate zones. focusing on the night-time. To carry out the simulations with microclimate simulation tool ENVI-met. an urban apartment complex was designed and provided with different kinds of vertical greening to investigate the various positive effects resulting from the green façade. As a shading device. the greened walls showed a significant decrease of wall surface temperatures of up to 18K. However. restricted transpiration fluxes obstruct exploiting the full potential of evaporative cooling. especially during night-time.
Integrated analysis of regional energetic demand and renewable energy potentials at the example of Ludwigsburg county, Germany
Authors: Kesnar Chris , Weiler Verena , Neuhäuser Julia , Schröter Bastian 
Published: November 2021

Abstract
This work compares heating and electricity demands with local renewable energy potentials at the example of Ludwigsburg county, a mostly suburban region in South-Western Germany. Bottom-up analyses of the energetic potentials are performed within an established regional energy simulation platform and are thus based on a consistent set of geoinformatic data. This approach has two advantages compared to a top-down analysis or using multiple specialized tools: it allows assessing energetic potentials in high spatial resolution and relates it to heating and electricity demands on a single-building scale. Secondly, it is transferable to other regions due to the widespread availability of most input data. Our results show that exploiting technical potentials for bioenergy, rooftop PV, wind onshore, and hydropower can cover 68% of electricity demand 7% of heat demand in 2019, indicating that energy autonomy is difficult to achieve for densely populated regions in Europe.