bluuebunny/crossref_metadata_2025 huggingface dataset:
COVID-19-Related Knowledge and Anxiety Response among Physical Education Teachers during Practical In-Person Lessons: Effects of Potential Moderators
Authors: Hagan John Elvis , Quansah Frank , Anin Stephen Kofi , Sorkpor Richmond Stephen , Abieraba Richard Samuel Kwadwo , Frimpong James Boadu , Srem-Sai Medina , Schack Thomas
Published: March 2022

The COVID-19 pandemic has resulted in heightened anxiety levels among teachers, especially regarding PE teachers who are required to engage students in practical in-person or contact teaching lessons. Previous research showed that these levels of anxiety among PE teachers appeared to be explained by the interplay between COVID-19 knowledge, workplace safety perception, and educational qualification. This study assessed the relationship between COVID-19-related knowledge and anxiety response among PE teachers during such practical lessons while moderating the effects of workplace safety perception and educational qualification within the relationship. The study conveniently recruited 160 PE teachers to solicit responses through both online and printed questionnaires. Using correlation and linear regression analyses, the study revealed a significant negative relationship between COVID-19-related knowledge and anxiety response among PE teachers. The educational qualification of PE teachers did not significantly moderate the association between COVID-19-related knowledge and anxiety response. Workplace safety perception significantly moderated the association between COVID-19-related knowledge and anxiety response among PE teachers. The findings remind educational authorities about the essence of creating a positive and safe working environment conducive to academic work. Achieving this goal requires the provision of adequate COVID-19 management logistics (e.g., personal protective equipment, hand sanitizers) by educational authorities for PE teachers to maintain safety practices and optimal learning conditions.
From Childhood Residential Green space to Adult Mental Wellbeing: A Pathway Analysis among Chinese Adults
Authors: Li Hansen , Browning Matthew H. E. M. , Cao Yang , Zhang Guodong
Published: March 2022

Residential green spaces, arguably the most accessible type of urban green space, may have lasting impacts on children and even change their lives later in adulthood. However, the potential pathways from childhood residential green space to adulthood mental wellbeing are not well understood. Therefore, we conducted a questionnaire survey among Chinese adults (N = 770) in September 2021 to capture data on subjective measures of residential green space and nature contact during childhood, and nature connectedness, nature contact, and mental wellbeing during adulthood. Structural equation modeling (SEM) was employed to examine theoretical pathways between childhood residential green space and adult mental wellbeing. The results suggest that childhood residential green space positively predicts childhood nature contact and also has direct and indirect positive impacts on nature contact, nature connectedness, and mental wellbeing during adulthood. These findings advance understanding of the long-term impacts of childhood residential green space. Policymakers are advised to prioritize residential greening as well as other recreational facilities for children when planning health-promoting environments in urban spaces. Due to limitations in our study design, we also advise future studies to re-examine and extend the framework documented here.
Buffering the Fear of COVID-19: Social Connectedness Mediates the Relationship between Fear of COVID-19 and Psychological Wellbeing
Authors: Humphrey Ashley , March Evita , Lavender Andrew P. , Miller Kyle J. , Alvarenga Marlies , Mesagno Christopher
Published: March 2022

Social connections are crucial for an individual’s health, wellbeing, and overall effective functioning. During the COVID-19 pandemic, one major preventative effort for reducing the spread of COVID-19 involved restricting people’s typical social interactions through physical distancing and isolation. The current cross-sectional study, conducted during the COVID-19 pandemic, explored the relationship among fear of COVID-19, social connectedness, resilience, depressive symptomologies, and self-perceived stress. Participants (N = 174) completed an anonymous, online questionnaire, and results indicated that social connectedness mediated the relationship between fear of COVID-19 and psychological wellbeing. In contrast, the relationship between fear of COVID-19 and psychological wellbeing was not mediated by resilience. These findings highlight the important role that social connections and resilience play in buffering against negative psychological wellbeing outcomes, especially during a pandemic.
Effective Jet-Grouting Application for Improving the State of Deformation of Landmarks
Authors: Severino Alessandro , Wahrhaftig Alexandre de Macêdo , Tiutkin Oleksii , Gubashova Valentyna , Neduzha Larysa
Published: March 2022

The problem of improving the state of deformation of landmarks is an important aspect when performing civil services, because they have a historical interest and bring symbolisms which relate to an event of particular interest for the community. The engineering–geological surveys, technical evaluation and operational suitability of landmarks of national significance are performed to improve the state of deformation. The conducted analytical assessment of landslide hazard slope stability in the RocScience Slide computational complex shows that in the presence of landslide prevention works, and the stability coefficient is increased by a factor of 1.21–1.37. The regularities of deformation and strength parameters of the soil–cement obtained during the jet-grouting application indicated an increase in strength gain of amplifier elements by an average of 1.6–4.0 times. This proves the effectiveness of the jet-grouting application for improving the state of deformation of landmarks of national significance.
Evaluation of Social Responsibility of Major Municipal Road Infrastructure—Case Study of Zhengzhou 107 Auxiliary Road Project
Authors: Yang Delei , Li Jiawen , Peng Jiudong , Zhu Jun , Luo Lan
Published: March 2022

Social responsibility plays an important role in the sustainable development of major municipal road infrastructure. In this study, a major municipal road infrastructure social responsibility (MMRISR) evaluation indicator system is developed for the comprehensive evaluation of social responsibility. Questionnaires and expert interviews were used to screen the initial indicators of the proposed system. Then, 24 indicators were selected from four dimensions to establish an MMRISR evaluation indicator system. The fuzzy analytic hierarchy process was employed to calculate the weights of each indicator. Finally, the Zhengzhou 107 Auxiliary Road Project was adopted as a case study to test the reliability of the proposed evaluation system. The contribution of this study lies in the provision of a novel indicator system for the social responsibility evaluation of major municipal road infrastructures, thus improving the science of project establishment and decision-making. The proposed social responsibility system can provide an efficient decision-making tool for social responsibility governance, fundamentally promoting the sustainable development of major municipal road infrastructures and the achievement of certain sustainable development goals.
Influence of Building Density on Outdoor Thermal Environment of Residential Area in Cities with Different Climatic Zones in China—Taking Guangzhou, Wuhan, Beijing, and Harbin as Examples
Authors: Yang Guang , Xuan Yingli , Zhou Zeng
Published: March 2022

Outdoor wind and thermal environments in residential areas are greatly affected by the distance between buildings. A short distance is conducive to providing shade, and a long distance can enhance ventilation between buildings. In this study, four cities with different latitudes in China (Guangzhou, Wuhan, Beijing, and Harbin) were selected to research the relationship between the distance between buildings and thermal environments of residential areas. The results show that (1) when the distance between buildings is small, it is easier for wind paths to form. Wind paths can strengthen the wind velocity. When the distance between buildings exceeds 40–50 m, the building density is small, the building’s resistance to the wind becomes smaller and smaller, and the wind speed will gradually increase. (2) When the distance is in the range of 20–50 m, the MRT (mean radiant temperature) rise rate of each city is similar. For every 10 m increase in the distance between buildings, the MRT increases by about 1.25 °C. (3) D = 50 m (D/H = 1.19) is an inflection point. When D is less than 50 m, within the range of 20–50 m, the smaller the D is, the lower the SET* (standard effective temperature) is, while when D is more than 50 m, the opposite trend is observed.
Optimal Control Strategies for Demand Response in Buildings under Penetration of Renewable Energy
Authors: Chen Yongbao , Chen Zhe , Yuan Xiaolei , Su Lin , Li Kang
Published: March 2022

The penetration rates of intermittent renewable energies such as wind and solar energy have been increasing in power grids, often leading to a massive peak-to-valley difference in the net load demand, known as a “duck curve”. The power demand and supply should remain balanced in real-time, however, traditional power plants generally cannot output a large range of variable loads to balance the demand and supply, resulting in the overgeneration of solar and wind energy in the grid. Meanwhile, the power generation hours of the plant are forced to be curtailed, leading to a decrease in energy efficiency. Building demand response (DR) is considered as a promising technology for the collaborative control of energy supply and demand. Conventionally, building control approaches usually consider the minimization of total energy consumption as the optimization objective function; relatively few control methods have considered the balance of energy supply and demand under high renewable energy penetration. Thus, this paper proposes an innovative DR control approach that considers the energy flexibility of buildings. First, based on an energy flexibility quantification framework, the energy flexibility capacity of a typical office building is quantified; second, according to energy flexibility and a predictive net load demand curve of the grid, two DR control strategies are designed: rule-based and prediction-based DR control strategies. These two proposed control strategies are validated based on scenarios of heating, ventilation, and air conditioning (HVAC) systems with and without an energy storage tank. The results show that 24–55% of the building’s total load can be shifted from the peak load time to the valley load time, and that the duration is over 2 h, owing to the utilization of energy flexibility and the implementation of the proposed DR controls. The findings of this work are beneficial for smoothing the net load demand curve of a grid and improving the ability of a grid to adopt renewable energies.
Seismic Performance of Panel Connectors with Steel Frame Based on Autoclaved Lightweight Concrete (ALC)
Authors: Zhang Chikun , Ding Kewei , He Shulin
Published: March 2022

This paper proposes new prefabricated autoclaved lightweight concrete (ALC) connectors which allow limited sliding. The seismic performance of the proposed connectors and a traditional connector (L-hooked bolt) were investigated in depth. Three specimens of full-scale steel frames with ALC panel and connectors were subjected to horizontal low-cyclic loading. The failure modes, hysteretic behavior, strength and deterioration of stiffness and energy-dissipating performance of all specimens were analyzed and discussed. The experimental results indicated that the frames of the new connectors were more reliable than the traditional connector. The energy-dissipating capacity of the specimen frames with new connectors increased by 23.0% and 24.4%, and deterioration of stiffness increased by 10.6% and 13.0%. The new ALC panel connectors not only increased elastic stiffness in the early stage, but also provided some stiffness in the elastoplastic and plastic stages. Using relevant construction measures, the frames with new connectors displayed good cooperative behavior and safety reliability. To summarize, the new ALC connectors tested showed excellent performance in resisting seismic loading and had good assembly efficiency and could provide a basis for the development and application of a new type of ALC steel frame connector.
A Review on Research and Development of Healthy Building in China
Authors: Lin Yaolin , Yuan Xingping , Yang Wei , Hao Xiaoli , Li Chunqing
Published: March 2022

Healthy buildings are a deep-level development of green buildings, which can effectively help relieve stress and improve occupants’ physical and mental health. In addition, they are is likely to play an important role in preventing the spread of respiratory infectious diseases. Therefore, healthy buildings have attracted worldwide attention. This article reviews the research and development of healthy buildings in China. First, it briefly introduces the definition of healthy buildings, the key elements of evaluation standards, energy conservation measures and new technology applications for healthy buildings, and lessons learned from the global outbreak of SARS-CoV-2. Secondly, it presents the milestones of healthy building development and healthy building projects in China, and the benefits of healthy buildings were also discussed. Finally, the differences in the evaluation systems of healthy buildings between China and other countries were analyzed, the problems of the current policy system of healthy buildings in China were identified, and suggestions for future development were provided.
Optimization of Tuned Liquid Damper Including Different Liquids for Lateral Displacement Control of Single and Multi-Story Structures
Authors: Ocak Ayla , Bekdaş Gebrail , Nigdeli Sinan Melih , Kim Sanghun , Geem Zong Woo
Published: March 2022

This study focuses on tuned liquid dampers (TLDs) using liquids with different characteristics optimized with the adaptive harmony search algorithm (AHS). TLDs utilize the characteristic features of the liquid to absorb the dynamic forces entering the structure and benefit from the sloshing movement and the spring stiffness created by the liquid mass. TLDs have been optimized to investigate the effect of liquid characteristics on the control by analyzing various liquids. For optimization, the memory consideration ratio (HMCR) and fret width (FW) values were adapted from the classical harmony search (HS) algorithm parameters. The TLDs were used on three types of structure models, such as single-story, 10, and 40 stories. The contribution of the liquid characteristics to the damping performance was investigated by optimizing the minimum displacement under seismic excitation. According to the results, it was understood that the liquid density and kinematic viscosity do not affect single-story structures alone. However, two characteristic features should be evaluated together. As the structure mass increases, the viscosity and density become more prominent.
Operational Challenges of Modern Demand-Control Ventilation Systems: A Field Study
Authors: Zhao Weixin , Kilpeläinen Simo , Bask Wertti , Lestinen Sami , Kosonen Risto
Published: March 2022

To maintain proper indoor air quality and increase energy efficiency, a demand-control ventilation (DCV) system has become a popular solution. This paper reports the findings of a field study conducted on the performance of the DCV systems in eight public buildings in southern Finland. We conducted the measurements in two stages. In the first stage, we made a site visit and measured the airflow rates in the design operation conditions of the chosen space. For the second stage, we left temperature/humidity data loggers to monitor the thermal conditions during the normal operation mode of the space. The results indicate that, out of the eight studied spaces, only one DCV system was performing according to design specifications. While the systems were operating in a suboptimal way, the flaws in functionality were mostly minor, and none of the sites had perceived indoor-air-quality- and/or thermal-condition-related problems during the time of measurement. Nonetheless, this result shows that the potential benefits of DCV were partially lost due to malfunctioning systems. Additionally, by only monitoring room air temperature (or IAQ) without airflow rate measurements in different operation modes, it is not possible to conclude whether the DCV system works properly or not.
Field Work’s Optimization for the Digital Capture of Large University Campuses, Combining Various Techniques of Massive Point Capture
Authors: Pérez José Javier , Senderos María , Casado Amaia , Leon Iñigo
Published: March 2022

The aim of the study is to obtain fast digitalization of large urban settings. The data of two university campuses in two cities in northern Spain was captured. Challenges were imposed by the lockdown situation caused by the COVID-19 pandemic, which limited mobility and affected the field work for data readings. The idea was to significantly reduce time spent in the field, using a number of resources, and increasing efficiency as economically as possible. The research design is based on the Design Science Research (DSR) concept as a methodological approach to design the solutions generated by means of 3D models. The digitalization of the campuses is based on the analysis, evolution and optimization of LiDAR ALS points clouds captured by government bodies, which are open access and free. Additional TLS capture techniques were used to complement the clouds, with the study of support of UAV-assisted automated photogrammetric techniques. The results show that with points clouds overlapped with 360 images, produced with a combination of resources and techniques, it was possible to reduce the on-site working time by more than two thirds.
Traffic Planning as a Preliminary Tool in Project Documentation for BIM
Authors: Schlosser Tibor , Schlosser Peter , Zuzulová Andrea , Cápayová Silvia , Bálint Gabriel
Published: March 2022

The paper presents a view on the possibilities of using big data in traffic planning and traffic engineering, which are used in the urban and spatial planning of cities. The question is whether the method of this design activity—especially in feasibility studies, environmental impact assessments, or documentation for land-use decisions—can be part of Building Information Modelling (BIM). The result of this engineering activity could at the same time be linked to the documentation for building permits, where a number of professional civil engineers are already making full use of the BIM management system. The problem of traffic engineering and traffic planning is related to the need for extensive data, which are usually not available and, if they are, are from different database sources. Very often, however, engineers have to carry these tasks out with traffic surveys. Most often, these data are from transport centres, or from spatial databases of Geographical Information System (GIS) of cities or regions. In addition, in developed cities, detailed data from specialised strategic materials are available from municipal databases at various levels, in addition to the land-use plan that is the guarantor of the city’s development. Based on empirical experience from the creation of the new city centre of Bratislava, the authors present, from more than six years of engineering activity, what different data traffic engineers and planners need, which can be processed and unified to be part of the management system in the future and, thus, assist in the development of linear construction using BIM tools.
Special Issue “Net-Zero/Positive Energy Buildings and Districts”
Authors: Hasan Ala , Reda Francesco
Published: March 2022

The important goal of decarbonization of communities and cities has resulted in the emergence of new concepts and implementations of Net-Zero/Positive-Energy Buildings and Districts (NZPEBD) in recent years [...]
Modelling Building Stock Energy Consumption at the Urban Level from an Empirical Study
Authors: Ji Qunfeng , Bi Yangbo , Makvandi Mehdi , Deng Qinli , Zhou Xilin , Li Chuancheng
Published: March 2022

Quantifying the energy consumption of buildings is a complex and multi-scale task, with the entire process dependent on input data and urban surroundings. However, most urban energy models do not account for the urban environment. This paper employs a physical-based, bottom-up method to predict urban building operating energy consumption, using imported topography to consider shading effects on buildings. This method has proven to be feasible and aligned well with the benchmark. Research also suggests that commercial and transport buildings have the highest energy use intensity, significantly more than residential and office buildings. Specifically, cooling demands far outweigh heating demands for these building types. Therefore, buildings in the commercial and transportation sectors would receive greater consideration for energy efficiency and improvements to the cooling system would be a priority. Additionally, the method developed for predicting building energy demand at an urban scale can also be replicated in practice.
Modeling the Constraints to the Utilization of the Internet of Things in Managing Supply Chains of Off-Site Construction: An Approach toward Sustainable Construction
Authors: Kazmi Zaheer Abbas , Sodangi Mahmoud
Published: March 2022

Despite persistent calls for cleaner production and improved automation of construction processes, the adoption of the Internet of Things (IoT) in managing the supply chains of off-site construction businesses has been discouraged due to various constraints. This paper methodically identifies and prioritizes the crucial factors that impede the application of the Internet of Things (IoT) in off-site construction. Content analysis and an expert-based evaluation strategy were used to identify and evaluate the constraints affecting Internet of Things adoption in off-site construction. The ISM, MICMAC, and DEMATEL techniques were used to analyze the data. This study identifies the “lack of clear strategy for governing IoT utilization in supply chain management” as the most significant factor that impedes the application of the Internet of Things (IoT) in off-site construction businesses. The outcomes also provide a rich source of insights into off-site construction businesses to clearly recognize the implications of utilizing IoT technologies in managing the supply chains of businesses and what to expect when applying IoT technologies and solutions. While this paper advocates for improved green construction practices, cleaner production, and automation in the construction industry, it has set the stage for integrating IoT technologies in the supply chain management of off-site construction businesses.
Implementation of External Beam Five-Fraction Adjuvant Breast Irradiation in a US Center
Authors: Eckstein Jacob , Taylor Peter , Zheng Ruqin , Lee Lucille , Chen William , Potters Louis , Evans Clary
Published: March 2022

Five-fraction adjuvant whole breast radiation has been shown to be a safe and effective alternative to longer fractionation regimens. Given the lack of international consensus on patient selection for the protocol, we developed a consensus protocol to guide patient selection and facilitate safe and efficient five-fraction radiation in our radiation medicine department. In developing the directive, we surveyed departmental physicians about their choice of adjuvant breast regimen for various clinical scenarios. Patient travel burden was the factor most strongly impacting radiation oncologists’ decision-making when considering prescribing a five-fraction course of adjuvant breast radiation; the length of clinical trial follow-up data and acute and late normal tissue effects also impacted it, along with personal clinical experience and experience of dosimetry and physics personnel. Relative value unit (RVU) reimbursement and financial toxicity to the patient were reported to be less important in decision-making. Physicians were most comfortable using five-fraction radiation in women >50 years of age with low-risk cancer and for patients unable to attend for longer treatment courses. Eight months after implementation, the protocol accounts for 4.7% of breast irradiation delivered in our department.
Impact of Sintering Temperature on the Electrical Properties of La0.9Sr0.1MnO3 Manganite
Authors: Hizi Wided , Rahmouni Hedi , Gorji Nima E. , Guesmi Ahlem , Ben Hamadi Naoufel , Khezami Lotfi , Dhahri Essebti , Khirouni Kamel , Gassoumi Malek
Published: March 2022

La0.9Sr0.1MnO3 nanoparticles were prepared using the citrate–gel route and sintered at different temperatures (TS = 600 °C, 800 °C, and 1000 °C). The x-day diffraction patterns reveal that the samples exhibit a single phase with a rhombohedral (R3¯C) structure. The transmission electron microscopy technique shows an increase in the grain size when the sintering temperature (TS) rises. The obtained values are approximately similar to that of crystallite size calculated from x-ray diffraction patterns. The impact of sintering temperature (TS) on the electrical properties of La0.9Sr0.1MnO3manganite is examined using the impedance spectroscopy technique. A metal-semi-conductor transition at a specific temperature (TM-SC) is observed for all samples. Indeed, the sintering temperature increase induces the shift of this transition temperature toward higher temperatures. Such a behavior is explained by the increase in the grain size. An agreement between the metal-semi-conductor transition values coming from the DC resistivity and the grain boundaries analyses is observed. This agreement proves the contribution of the grain boundaries in the electrical properties of the studied samples. In addition, the presence of the relaxation phenomenon is confirmed. The fitted Nyquist plots show the correlation between the microstructure of the material and the electrical properties using an electrical equivalent circuit model. The DC resistivity and the impedance analyses reveal the thermal activation of the transport properties in the investigated system.
Regulating Crystal Facets of MnO2 for Enhancing Peroxymonosulfate Activation to Degrade Pollutants: Performance and Mechanism
Authors: Fu Juncong , Gao Peng , Wang Lu , Zhang Yongqing , Deng Yuhui , Huang Renfeng , Zhao Shuaifei , Yu Zebin , Wei Yuancheng , Wang Guangzhao , Zhou Shaoqi
Published: March 2022

On the catalyst surface, crystal facets with different surface atom arrangements and diverse physicochemical properties lead to distinct catalytic activity. Acquiring a highly reactive facet through surface regulation is an efficient strategy to promote the oxidative decomposition of wastewater organic pollutants via peroxymonosulfate (PMS) activation. However, the mechanism through which crystal facets affect PMS activation is still unclear. In this study, three facet-engineered α-MnO2 with different exposed facets were prepared via a facile hydrothermal route. The prepared 310-MnO2 exhibited superior PMS activation performance to 100-MnO2 and 110-MnO2. Moreover, the 310-MnO2/PMS oxidative system was active over a wide pH range and highly resistant to interfering substances from wastewater. These advantages of the 310-MnO2/PMS system make it highly promising for practical wastewater treatment. Based on quenching experiments, electron paramagnetic resonance (EPR) analysis, solvent exchange, and electrochemical measurements, mediated electron transfer was found to be the dominant nonradical pathway for p-chloroaniline (PCA) degradation. A sulfhydryl group (-SH) masking experiment showed that the highly exposed Mn atoms on the 310-MnO2 surface were sites of PMS activation. In addition, density functional theory (DFT) calculations confirmed that the dominant {310} facet promoted adsorption/activation of PMS, which favored the formation of more metastable complexes on the α-MnO2 surface. The reaction mechanism obtained here clarifies the relationship between PMS activation and crystal facets. This study provides significant insights into the rational design of high-performance catalysts for efficient water remediation.
Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116
Authors: Huang Meng , Pengthaisong Salila , Charoenwattanasatien Ratana , Thinkumrob Natechanok , Jitonnom Jitrayut , Ketudat Cairns James R.
Published: March 2022

Glycoside hydrolases (GH) bind tightly to the sugar moiety at the glycosidic bond being hydrolyzed to stabilize its transition state conformation. We endeavored to assess the importance of glucose-binding residues in GH family 116 (GH116) β-glucosidases, which include human β-glucosylceramidase 2 (GBA2), by mutagenesis followed by kinetic characterization, X-ray crystallography, and ONIOM calculations on Thermoanaerobacterium xylanolyticum TxGH116, the structural model for GH116 enzymes. Mutations of residues that bind at the glucose C3OH and C4OH caused 27–196-fold increases in KM for p-nitrophenyl-β-D-glucoside, and significant decreases in the kcat, up to 5000-fold. At the C6OH binding residues, mutations of E777 decreased the kcat/KM by over 60,000-fold, while R786 mutants increased both the KM (40-fold) and kcat (2–4-fold). The crystal structures of R786A and R786K suggested a larger entrance to the active site could facilitate their faster rates. ONIOM binding energy calculations identified D452, H507, E777, and R786, along with the catalytic residues E441 and D593, as strong electrostatic contributors to glucose binding with predicted interaction energies > 15 kcal mol−1, consistent with the effects of the D452, H507, E777 and R786 mutations on enzyme kinetics. The relative importance of GH116 active site residues in substrate binding and catalysis identified in this work improves the prospects for the design of inhibitors for GBA2 and the engineering of GH116 enzymes for hydrolytic and synthetic applications.
Heterogeneous Advanced Oxidation Processes: Current Approaches for Wastewater Treatment
Authors: Lama Gabriela , Meijide Jessica , Sanromán Angeles , Pazos Marta
Published: March 2022

Nowadays, water pollution is one of the most dangerous environmental problems in the world. The presence of the so-called emerging pollutants in the different water bodies, impossible to eliminate through conventional biological and physical treatments used in wastewater treatment plants due to their persistent and recalcitrant nature, means that pollution continues growing throughout the world. The presence of these emerging pollutants involves serious risks to human and animal health for aquatic and terrestrial organisms. Therefore, in recent years, advanced oxidation processes (AOPs) have been postulated as a viable, innovative and efficient technology for the elimination of these types of compounds from water bodies. The oxidation/reduction reactions triggered in most of these processes require a suitable catalyst. The most recent research focuses on the use and development of different types of heterogeneous catalysts, which are capable of overcoming some of the operational limitations of homogeneous processes such as the generation of metallic sludge, difficult separation of treated water and narrow working pH. This review details the current advances in the field of heterogeneous AOPs, Fenton processes and photocatalysts for the removal of different types of emerging pollutants.
Metallic or Metallic Oxide (Photo)catalysts for Environmental Applications
Authors: Mahy Julien G. , Hermans Sophie
Published: March 2022

During the last century, industrialization intensified in a growing number of countries around the world, and in various industries, particularly in the chemical, pharmaceutical, cosmetics, horticulture, food, and petroleum sectors [...]
Kinetics of the Direct DME Synthesis: State of the Art and Comprehensive Comparison of Semi-Mechanistic, Data-Based and Hybrid Modeling Approaches
Authors: Delgado Otalvaro Nirvana , Bilir Pembe Gül , Herrera Delgado Karla , Pitter Stephan , Sauer Jörg
Published: March 2022

Hybrid kinetic models represent a promising alternative to describe and evaluate the effect of multiple variables in the performance of complex chemical processes, since they combine system knowledge and extrapolability of the (semi-)mechanistic models in a wide range of reaction conditions with the adaptability and fast convergence of data-based approaches (e.g., artificial neural networks—ANNs). For the first time, a hybrid kinetic model for the direct DME synthesis was developed consisting of a reactor model, i.e., balance equations, and an ANN for the reaction kinetics. The accuracy, computational time, interpolation and extrapolation ability of the new hybrid model were compared to those of a lumped and a data-based model with the same validity range, using both simulations and experiments. The convergence of parameter estimation and simulations with the hybrid model is much faster than with the lumped model, and the predictions show a greater degree of accuracy within the models’ validity range. A satisfactory dimension and range extrapolation was reached when the extrapolated variable was included in the knowledge module of the model. This feature is particularly dependent on the network architecture and phenomena covered by the underlying model, and less on the experimental conditions evaluated during model development.
Non-Idealities in Lab-Scale Kinetic Testing: A Theoretical Study of a Modular Temkin Reactor
Authors: Wehinger Gregor D. , Kreitz Bjarne , Goldsmith C. Franklin
Published: March 2022

The Temkin reactor can be applied for industrial relevant catalyst testing with unmodified catalyst particles. It was assumed in the literature that this reactor behaves as a cascade of continuously stirred tank reactors (CSTR). However, this assumption was based only on outlet gas composition or inert residence time distribution measurements. The present work theoretically investigates the catalytic CO2 methanation as a test case on different catalyst geometries, a sphere, and a ring, inside a single Temkin reaction chamber under isothermal conditions. Axial gas-phase species profiles from detailed computational fluid dynamics (CFD) are compared with a CSTR and 1D plug-flow reactor (PFR) model using a sophisticated microkinetic model. In addition, a 1D chemical reactor network (CRN) model was developed, and model parameters were adjusted based on the CFD simulations. Whereas the ideal reactor models overpredict the axial product concentrations, the CRN model results agree well with the CFD simulations, especially under low to medium flow rates. This study shows that complex flow patterns greatly influence species fields inside the Temkin reactor. Although residence time measurements suggest CSTR-like behavior, the reactive flow cannot be described by either a CSTR or PFR model but with the developed CRN model.
Efficient Synthesis of Dihydropyrimidines Using a Highly Ordered Mesoporous Functionalized Pyridinium Organosilica
Authors: Rajabi Fatemeh , Sillanpää Mika , Len Christophe , Luque Rafael
Published: March 2022

A Brönsted acidic ionic solid pyridinium-functionalized organosilica network (PMO-Py-IL) was demonstrated to efficiently catalyse one-pot Biginelli condensation reaction. The green synthesis of 3,4-dihydro-2(H)-pyrimidinones (DHPMs) with high yield was carried out via one-pot three component condensation of β- dicarbonyls, aldehydes, and urea in the presence of a catalytic amount of PMO-Py-IL nanomaterial as an efficient nanocatalyst under solvent free conditions. Furthermore, the catalyst showed outstanding stability and could be easily separated and reused for at least ten reaction runs without significant loss of activity and product selectivity. The green protocol features simple set-up, cost-effectiveness, easy work-up, eco-friendly and mild reaction conditions.
Kinetic Study and Modeling of the Degradation of Aqueous Ammonium/Ammonia Solutions by Heterogeneous Photocatalysis with TiO2 in a UV-C Pilot Photoreactor
Authors: García-Prieto Juan C. , González-Burciaga Luis A. , Proal-Nájera José B. , García-Roig Manuel
Published: March 2022

The degradation mechanism of NH4+/NH3 in aqueous solutions by heterogeneous photocatalysis (TiO2/SiO2) and photolysis in UV-C pilot photoreactor has been studied. Under the conditions used, NH4+/NH3 can be decomposed both by photolytically and photocatalytically, without disregarding stripping processes. The greatest degradation is achieved at the highest pH studied (pH 11.0) and at higher lamp irradiation power used (25 W) with degradation performances of 44.1% (photolysis) and 59.7% (photocatalysis). The experimental kinetic data fit well with a two parallel reactions mechanism. A low affinity of ammonia for adsorption and surface reaction on the photocatalytic fiber was observed (coverage not higher than 10%), indicating a low influence of surface phenomena on the reaction rate, the homogeneous phase being predominant over the heterogeneous phase. The proposed reaction mechanism was validated, confirming that it is consistent with the photocatalytic and photolytic formation of nitrogen gas, on the one hand, and the formation of nitrate, on the other hand. At the optimal conditions, the rate constants were k3 = 0.154 h−1 for the disappearance of ammonia and k1 = 3.3 ± 0.2 10−5 h−1 and k2 = 1.54 ± 0.07 10−1 h−1 for the appearance of nitrate and nitrogen gas, respectively.
Platelets, a Key Cell in Inflammation and Atherosclerosis Progression
Authors: Huilcaman Ricardo , Venturini Whitney , Fuenzalida Lucia , Cayo Angel , Segovia Raul , Valenzuela Claudio , Brown Nelson , Moore-Carrasco Rodrigo
Published: March 2022

Platelets play important roles in thrombosis-dependent obstructive cardiovascular diseases. In addition, it has now become evident that platelets also participate in the earliest stages of atherosclerosis, including the genesis of the atherosclerotic lesion. Moreover, while the link between platelet activity and hemostasis has been well established, the role of platelets as modulators of inflammation has only recently been recognized. Thus, through their secretory activities, platelets can chemically attract a diverse repertoire of cells to inflammatory foci. Although monocytes and lymphocytes act as key cells in the progression of an inflammatory event and play a central role in plaque formation and progression, there is also evidence that platelets can traverse the endothelium, and therefore be a direct mediator in the progression of atherosclerotic plaque. This review provides an overview of platelet interactions and regulation in atherosclerosis.
Retrospective Analysis of Autologous Chondrocyte-Based Cytotherapy Production for Clinical Use: GMP Process-Based Manufacturing Optimization in a Swiss University Hospital
Authors: Philippe Virginie , Laurent Alexis , Hirt-Burri Nathalie , Abdel-Sayed Philippe , Scaletta Corinne , Schneebeli Valentine , Michetti Murielle , Brunet Jean-François , Applegate Lee Ann , Martin Robin
Published: March 2022

Cultured autologous human articular chondrocyte (HAC) implantation has been extensively investigated for safe and effective promotion of structural and functional restoration of knee cartilage lesions. HAC-based cytotherapeutic products for clinical use must be manufactured under an appropriate quality assurance system and follow good manufacturing practices (GMP). A prospective clinical trial is ongoing in the Lausanne University Hospital, where the HAC manufacturing processes have been implemented internally. Following laboratory development and in-house GMP transposition of HAC cell therapy manufacturing, a total of 47 patients have been treated to date. The main aim of the present study was to retrospectively analyze the available manufacturing records of the produced HAC-based cytotherapeutic products, outlining the inter-individual variability existing among the 47 patients regarding standardized transplant product preparation. These data were used to ameliorate and to ensure the continued high quality of cytotherapeutic care in view of further clinical investigations, based on the synthetic analyses of existing GMP records. Therefore, a renewed risk analysis-based process definition was performed, with specific focus set on process parameters, controls, targets, and acceptance criteria. Overall, high importance of the interdisciplinary collaboration and of the manufacturing process robustness was underlined, considering the high variability (i.e., quantitative, functional) existing between the treated patients and between the derived primary HAC cell types.
Aging of the Immune System: Focus on Natural Killer Cells Phenotype and Functions
Authors: Brauning Ashley , Rae Michael , Zhu Gina , Fulton Elena , Admasu Tesfahun Dessale , Stolzing Alexandra , Sharma Amit
Published: March 2022

Aging is the greatest risk factor for nearly all major chronic diseases, including cardiovascular diseases, cancer, Alzheimer’s and other neurodegenerative diseases of aging. Age-related impairment of immune function (immunosenescence) is one important cause of age-related morbidity and mortality, which may extend beyond its role in infectious disease. One aspect of immunosenescence that has received less attention is age-related natural killer (NK) cell dysfunction, characterized by reduced cytokine secretion and decreased target cell cytotoxicity, accompanied by and despite an increase in NK cell numbers with age. Moreover, recent studies have revealed that NK cells are the central actors in the immunosurveillance of senescent cells, whose age-related accumulation is itself a probable contributor to the chronic sterile low-grade inflammation developed with aging (“inflammaging”). NK cell dysfunction is therefore implicated in the increasing burden of infection, malignancy, inflammatory disorders, and senescent cells with age. This review will focus on recent advances and open questions in understanding the interplay between systemic inflammation, senescence burden, and NK cell dysfunction in the context of aging. Understanding the factors driving and enforcing NK cell aging may potentially lead to therapies countering age-related diseases and underlying drivers of the biological aging process itself.
A Phosphosite Mutant Approach on LRRK2 Links Phosphorylation and Dephosphorylation to Protective and Deleterious Markers, Respectively
Authors: Marchand Antoine , Sarchione Alessia , Athanasopoulos Panagiotis S. , Roy Hélène Bauderlique-Le , Goveas Liesel , Magnez Romain , Drouyer Matthieu , Emanuele Marco , Ho Franz Y. , Liberelle Maxime , Melnyk Patricia , Lebègue Nicolas , Thuru Xavier , Nichols R. Jeremy , Greggio Elisa , Kortholt Arjan , Galli Thierry , Chartier-Harlin Marie-Christine , Taymans Jean-Marc
Published: March 2022

The Leucine Rich Repeat Kinase 2 (LRRK2) gene is a major genetic determinant of Parkinson’s disease (PD), encoding a homonymous multi-domain protein with two catalytic activities, GTPase and Kinase, involved in intracellular signaling and trafficking. LRRK2 is phosphorylated at multiple sites, including a cluster of autophosphorylation sites in the GTPase domain and a cluster of heterologous phosphorylation sites at residues 860 to 976. Phosphorylation at these latter sites is found to be modified in brains of PD patients, as well as for some disease mutant forms of LRRK2. The main aim of this study is to investigate the functional consequences of LRRK2 phosphorylation or dephosphorylation at LRRK2’s heterologous phosphorylation sites. To this end, we generated LRRK2 phosphorylation site mutants and studied how these affected LRRK2 catalytic activity, neurite outgrowth and lysosomal physiology in cellular models. We show that phosphorylation of RAB8a and RAB10 substrates are reduced with phosphomimicking forms of LRRK2, while RAB29 induced activation of LRRK2 kinase activity is enhanced for phosphodead forms of LRRK2. Considering the hypothesis that PD pathology is associated to increased LRRK2 kinase activity, our results suggest that for its heterologous phosphorylation sites LRRK2 phosphorylation correlates to healthy phenotypes and LRRK2 dephosphorylation correlates to phenotypes associated to the PD pathological processes.
Pilot Study of the Effects of Chronic Intracerebroventricular Infusion of Human Anti-IgLON5 Disease Antibodies in Mice
Authors: Alvente Sara , Matteoli Gabriele , Molina-Porcel Laura , Landa Jon , Alba Mercedes , Bastianini Stefano , Berteotti Chiara , Graus Francesc , Lo Martire Viviana , Sabater Lidia , Zoccoli Giovanna , Silvani Alessandro
Published: March 2022

Background: Anti-IgLON5 disease is a rare late-onset neurological disease associated with autoantibodies against IgLON5, neuronal accumulation of phosphorylated Tau protein (p-Tau), and sleep, respiratory, and motor alterations. Purpose: We performed a pilot study of whether the neuropathological and clinical features of anti-IgLON5 disease may be recapitulated in mice with chronic intracerebroventricular infusion of human anti-IgLON5 disease IgG (Pt-IgG). Methods: Humanized transgenic hTau mice expressing human Tau protein and wild-type (WT) control mice were infused intracerebroventricularly with Pt-IgG or with antibodies from a control subject for 14 days. The sleep, respiratory, and motor phenotype was evaluated at the end of the antibody infusion and at least 30 days thereafter, followed by immunohistochemical assessment of p-Tau deposition. Results: In female hTau and WT mice infused with Pt-IgG, we found reproducible trends of diffuse neuronal cytoplasmic p-Tau deposits in the brainstem and hippocampus, increased ventilatory period during sleep, and decreased inter-lick interval during wakefulness. These findings were not replicated on male hTau mice. Conclusion: The results of our pilot study suggest, but do not prove, that chronic ICV infusion of mice with Pt-IgG may elicit neuropathological, respiratory, and motor alterations. These results should be considered as preliminary until replicated in larger studies taking account of potential sex differences in mice.
Secondary or Specialized Metabolites, or Natural Products: A Case Study of Untargeted LC–QTOF Auto-MS/MS Analysis
Authors: Hadacek Franz
Published: March 2022

The large structural diversity of specialized metabolites represents a substantial challenge in untargeted metabolomics. Modern LC–QTOF instruments can provide three- to four-digit numbers of auto-MS/MS spectra from sample sets. This case study utilizes twelve structurally closely related flavonol glycosides, characteristic specialized metabolites of plant tissues, some of them isomeric and isobaric, to illustrate the possibilities and limitations of their identification. This process requires specific software tools that perform peak picking and feature alignment after spectral deconvolution and facilitate molecular structure base searching with subsequent in silico fragmentation to obtain initial ideas about possible structures. The final assignment of a putative identification, so long as spectral databases are not complete enough, requires structure searches in a chemical reference database, such as SciFindern, in attempts to obtain additional information about specific product ions of a metabolite candidate or check its feasibility. The highlighted problems in this process not only apply to specialized metabolites in plants but to those occurring in other organisms as well. This case study is aimed at providing guidelines for all researchers who obtain data from such analyses but are interested in deeper information than just Venn diagrams of the feature distribution in their sample groups.