bluuebunny/crossref_metadata_2025 huggingface dataset:
Cell Phone Social Media Use and Psychological Well-Being in Young Adults: Implications for Internet-Related Disorders
Authors: Joshi Suresh C. , Woltering Steven , Woodward Jay
Published: January 2023

Internet-related disorders are on the rise and increasing cell phone social media use may be one of the reasons for these disorders. To better understand internet-related disorders, we aim to explore the psychological and social aspects of cell phone social media behaviors. We hypothesized that, according to humanistic theories of positive functioning, cell phone social media connectedness to self (engagement, interest, pleasure, sense of enjoyment, meaningfulness, purposefulness, optimism, acceptance, and feeling accomplished) would relate positively to psychological well-being of undergraduate students. We also hypothesized that, according to Maslow’s hierarchy of needs, cell phone social media connectedness to others (affiliation, feeling rewarded, being liked by others, and contributions to the well-being of others) would relate positively to the psychological well-being of undergraduate students. During the fall of 2019, 523 (75.4% female) undergraduate students from a large public university participated in this study by completing validated quantitative surveys on their cell phone use and psychological well-being. Spearman’s rho and ordinal logistics were implemented to analyze the findings. Correlational data showed that cell phone social media connectedness to self and cell phone social media connectedness to others were positively associated with the psychological well-being of undergraduate students. Ordinal logistics showed higher odds of psychological well-being occurring with cell phone social media connectedness to self and cell phone social media connectedness to others. Cell phone social media connectedness to self significantly predicted psychological well-being with the medium effect, whereas cell phone social media connectedness to others was not a significant predictor of the psychological well-being of undergraduate students. An increase in cell phone social media connectedness to self and an increase in cell phone social media connectedness to others of undergraduate students helped them improve their psychological well-being. Cell phone social media connectedness to self significantly predicted but cell phone social media connectedness to others did not predict the psychological well-being of undergraduate students, which may have implications for the research pertaining to behavioral addiction and may help better understand internet-related disorders.
Work: A Social Determinant of Health Worth Capturing
Authors: Armenti Karla , Sweeney Marie , Lingwall Cailyn , Yang Liu
Published: January 2023

Work is a recognized social determinant of health. This became most apparent during the COVID-19 pandemic. Workers, particularly those in certain industries and occupations, were at risk due to interaction with the public and close proximity to co-workers. The purpose of this study was to assess how states collected work and employment data on COVID-19 cases, characterizing the need for systematic collection of case-based specific work and employment data, including industry and occupation, of COVID-19 cases. A survey was distributed among state occupational health contacts and epidemiologists in all 50 states to assess current practices in state public health surveillance systems. Twenty-seven states collected some kind of work and employment information from COVID-19 cases. Most states (93%) collected industry and/or occupation information. More than half used text-only fields, a predefined reference or dropdown list, or both. Use of work and employment data included identifying high risk populations, prioritizing vaccination efforts, and assisting with reopening plans. Reported barriers to collecting industry and occupation data were lack of staffing, technology issues, and funding. Scientific understanding of work-related COVID-19 risk requires the systematic, case-based collection of specific work and employment data, including industry and occupation. While this alone does not necessarily indicate a clear workplace exposure, collection of these data elements can help to determine and further prevent workplace outbreaks, thereby ensuring the viability of the nation’s critical infrastructure.
Combining Bayesian Calibration and Copula Models for Age Estimation
Authors: Faragalli Andrea , Skrami Edlira , Bucci Andrea , Gesuita Rosaria , Cameriere Roberto , Carle Flavia , Ferrante Luigi
Published: January 2023

Accurately estimating and predicting chronological age from some anthropometric characteristics of an individual without an identity document can be crucial in the context of a growing number of forced migrants. In the related literature, the prediction of chronological age mostly relies upon the use of a single predictor, which is usually represented by a dental/skeletal maturity index, or multiple independent ordinal predictor (stage of maturation). This paper is the first attempt to combine a robust method to predict chronological age, such as Bayesian calibration, and the use of multiple continuous indices as predictors. The combination of these two aspects becomes possible due to the implementation of a complex statistical tool as the copula. Comparing the forecasts from our copula-based method with predictions from an independent model and two single predictor models, we showed that the accuracy increased.
The Interference of Pre-Processing Software for the Numerical Simulation of Groundwater on the Cognition of Environmental Students: Model Mesh Construction as an Example
Authors: Zhang Guanru , Lu Peng , Huang Yi
Published: January 2023

(1) Background: Software for the numerical simulation of groundwater plays an important role in studying environmental problems. However, it is still unclear whether the pre-processing software of the numerical simulation of groundwater has a negative effect on the cognition of undergraduates in the environmental field who only have basic groundwater flow and solute transport knowledge and software operation skills. (2) Methods: To explore this issue, we used software meshing as an example and selected undergraduates in the environmental field to conduct the questionnaire surveys. A total of 345 undergraduate answer sheets were received, and data analysis was carried out. The students were divided into two groups, one with and another without certain basic groundwater flow and solute transport knowledge or software operation skills. (3) Results: For undergraduate students with some basic knowledge or software operation ability, the proportion of students whose cognition was adversely interfered with by the pre-processing software was 64.3%, and the ratio of students not interfered with was 35.7%. For undergraduates without groundwater flow and solute transport knowledge and relevant software operation skills, the ratios were 63.2% and 36.8%, respectively. (4) Conclusions: Pre-processing software numerical simulation of groundwater could negatively interfere with students’ cognition. The basic groundwater flow and solute transport knowledge and software operation skills did not observably reduce the interference degree (p = 0.259) but had significant influences on the undergraduates’ thinking modes on the numerical simulation problems (p = 0.009). The interference was mainly caused by the significant difference between the level of knowledge possessed by the students and that represented by the pre-processing software. This paper provides basic scientific data for the optimization of students’ knowledge structures and the improvement of teaching methods.
Can Smart Home Technologies Help Older Adults Manage Their Chronic Condition? A Systematic Literature Review
Authors: Facchinetti Gabriella , Petrucci Giorgia , Albanesi Beatrice , De Marinis Maria Grazia , Piredda Michela
Published: January 2023

The management of chronic diseases requires personalized healthcare that allows older adults to manage their diseases at home. This systematic review aimed to describe the smart home technologies used in the management of chronic diseases in older people. A systematic literature review was conducted on four databases and was reported following the PRISMA statement. Nineteen articles were included. The intervention technologies were classified into three groups: smart home, characterized by environmental sensors detecting motion, contact, light, temperature, and humidity; external memory aids, characterized by a partnership between mobile apps and smart home-based activity learning; and hybrid technology, with the integration of multiple technologies, such as devices installed at patients’ homes and telemedicine. The health outcomes evaluated are vital signs, medication management, ADL-IADL, mobility, falls, and quality of life. Smart homes show great potential in the management of chronic diseases by favouring the control of exacerbations and increasing patients’ safety by providing support in disease management, including support for cognitively impaired older people. The use of smart homes in the community could bring numerous benefits in terms of continuity of care, allowing the constant monitoring of older people by local and hospital health services.
Emergency Department Alternatives to Opioids: Adapting and Implementing Proven Therapies in Practice
Authors: Floyd Sarah B. , NcGarby Sam , Cordero Romero Susan , Garrison Sam , Walker Kevin , Hendry William , Moschella Phillip C.
Published: January 2023

The use of opioids to treat pain can increase the risk of long-term opioid dependency and is associated with negative patient outcomes. The objective of this study was to present the initial results following the implementation of Emergency-Department Alternatives to Opioids (ED-ALTO), a program that encourages the use of non-narcotic medications and procedures to treat pain in the Emergency Department (ED). We used a pre- and post-implementation study design to compare in-ED opioid utilization, as well as ED-ALTO medication and procedure use in the year before and after the program’s implementation. After ED-ALTO’s implementation, there was a decrease in opioid utilization in the ED and an increase in ED-ALTO medication use. Additionally, there was an increase in ED-ALTO procedure utilization and the complexity of conditions treated with ED-ALTO procedures, including the use of regional nerve blocks for shoulder dislocations and hip and rib fractures. In 8 of the 12 months following ED-ALTO’s implementation, a lower proportion of patients receiving ED-ALTO procedures received an opioid, and the opioid dosage was lower compared to patients with the same diagnoses who received standard care. The continued expansion of ED-ALTO programs across the US may serve as a mechanism to reduce opioid utilization and safely and successfully treat pain in ED settings.
An Examination of Depression, Anxiety, and Self-Esteem in Collegiate Student-Athletes
Authors: Weber Samantha R. , Winkelmann Zachary K. , Monsma Eva V. , Arent Shawn M. , Torres-McGehee Toni M.
Published: January 2023

Mental health research exists for student-athletes in the areas of depression, anxiety, and self-esteem prevalence. However, updated prevalence rates and assessment of risks across sports, academic status, and genders are needed. Filling the gaps in research assists in the creation of patient-centered mental health screening and interventions designed for student-athletes. Therefore, the purpose is to examine the prevalence of depression, anxiety, and self-esteem in collegiate student-athletes and differences between sex, academic status, and sport type, and identify associations for risks. Using a cross-sectional design, collegiate student-athletes were surveyed to assess for risks of depression, anxiety, and self-esteem. With the use of SPSS, Chi-square analyses and multinomial logistic regressions were used. Student-athletes (22.3%) were at risk for depression, anxiety (12.5%), and low self-esteem (8%). No significant differences were found for sex, academic status, and sport type for depression or self-esteem; however, significant differences occurred for state and trait anxiety by sex. A significant association for depression and anxiety risk was found with females at risk. Depression and anxiety are present within student-athletes, regardless of sport type. Females are at a higher risk; however, all student-athletes would benefit from the creation of validated, patient-centered mental health screenings and psychotherapeutic interventions.
M3 Receptor Pathway Stimulates Rapid Transcription of the CB1 Receptor Activation through Calcium Signalling and the CNR1 Gene Promoter
Authors: Marini Pietro , Cowie Philip , Ayar Ahmet , Bewick Guy S. , Barrow John , Pertwee Roger G. , MacKenzie Alasdair , Tucci Paolo
Published: January 2023

In this study, we have investigated a possible mechanism that enables CB1/M3 receptor cross-talk, using SH-SY5Y cells as a model system. Our results show that M3 receptor activation initiates signaling that rapidly upregulates the CNR1 gene, resulting in a greatly potentiated CB1 receptor response to agonists. Calcium homeostasis plays an essential intermediary role in this functional CB1/M3 receptor cross-talk. We show that M3 receptor-triggered calcium release greatly increases CB1 receptor expression via both transcriptional and translational activity, by enhancing CNR1 promoter activity. The co-expression of M3 and CB1 receptors in brain areas such as the nucleus accumbens and amygdala support the hypothesis that the altered synaptic plasticity observed after exposure to cannabinoids involves cross-talk with the M3 receptor subtype. In this context, M3 receptors and their interaction with the cannabinoid system at the transcriptional level represent a potential pharmacogenomic target not only for the develop of new drugs for addressing addiction and tolerance. but also to understand the mechanisms underpinning response stratification to cannabinoids.
Flavonoids as Modulators of Potassium Channels
Authors: Richter-Laskowska Monika , Trybek Paulina , Delfino Domenico Vittorio , Wawrzkiewicz-Jałowiecka Agata
Published: January 2023

Potassium channels are widely distributed integral proteins responsible for the effective and selective transport of K+ ions through the biological membranes. According to the existing structural and mechanistic differences, they are divided into several groups. All of them are considered important molecular drug targets due to their physiological roles, including the regulation of membrane potential or cell signaling. One of the recent trends in molecular pharmacology is the evaluation of the therapeutic potential of natural compounds and their derivatives, which can exhibit high specificity and effectiveness. Among the pharmaceuticals of plant origin, which are potassium channel modulators, flavonoids appear as a powerful group of biologically active substances. It is caused by their well-documented anti-oxidative, anti-inflammatory, anti-mutagenic, anti-carcinogenic, and antidiabetic effects on human health. Here, we focus on presenting the current state of knowledge about the possibilities of modulation of particular types of potassium channels by different flavonoids. Additionally, the biological meaning of the flavonoid-mediated changes in the activity of K+ channels will be outlined. Finally, novel promising directions for further research in this area will be proposed.
Research Progress on the Impact of Land Use Change on Soil Carbon Sequestration
Authors: Yu Hao , Song Wei
Published: January 2023

Land use change is the most important driving factor of terrestrial carbon stock change. Soil is the largest carbon reservoir of terrestrial ecosystems, and the impact of land use change on soil carbon sequestration is related to major issues such as the global warming process and food security. The research can provide a basis for land managers and policy makers to develop appropriate planning strategies for soil carbon sequestration management. Despite the widespread attention of relevant studies, macro reviews are still lacking. In order to objectively reveal the current situation of the research field, firstly this paper conducted a bibliometric analysis based on relevant papers in the Web of Science Core Collection database from 1985 to 2021. Secondly, we conducted a review study of land use change on soil carbon sequestration. The research results showed that: (1) the overall amount of the published literature in related fields showed an upward trend, and the development could be divided into three stages, growing slowly from 1985 to 1999, steadily from 2000 to 2009, and rapidly from 2010 to 2021. (2) From the perspective of national distribution, the published papers were mainly from the United States and China, which were much higher than those in other countries. There was mutual cooperation between research institutions in different countries and on a certain scale. (3) Since 2000, soil carbon sequestration has been more frequently mentioned in articles on land use change. Related research was mostly focused on exploring the impact of different land use types and different farming methods on soil organic carbon content in the context of global warming. Land use change and management among agricultural land, woodland, and grassland are the focus of research. The conversion of woodland to agricultural land and grassland is an important reason for the decrease in soil carbon sequestration. Corresponding management measures can be taken to improve soil carbon sequestration. Future research should use multidisciplinary technical means and methods to further explore the interaction mechanism between climate change, land use change, and soil carbon sequestration, so as to carry out more accurate prediction and assessment of different climate scenarios.
Influences of Different CAD/CAM Ceramic Compositions and Thicknesses on the Mechanical Properties of Ceramic Restorations: An In Vitro Study
Authors: Ellakany Passent , Madi Marwa , Aly Nourhan M. , Alshehri Turki , Alameer Shahad T. , Al-Harbi Fahad A.
Published: January 2023

The aim of this study was to assess the influences of different CAD/CAM ceramic compositions and thicknesses on the surface roughness and hardness of ceramic restorations. Four different ceramics were used in the current study: lithium disilicate (LD), leucite reinforced (LE), advanced lithium disilicate (ALD), and zirconia-reinforced lithium silicate (ZLS). Each group included 30 specimens subdivided into three different ceramic thicknesses (0.5, 1 and 1.5 mm thicknesses). The microhardness was measured for all the specimens using a microhardness testing machine, while the surface roughness was measured using a non-contact optical profilometer at three intervals (before toothbrushing and after toothbrushing, with and without toothpaste). Three-way and two-way ANOVA were used to determine the factors influencing the surface roughness and microhardness. There was a significant difference in the surface roughness between the studied groups for all the thicknesses. The findings showed that ALD had the lowest surface roughness, while ZLS showed the highest surface roughness. Moreover, ALD, followed by ZLS, had the highest hardness, while LD and LE had the lowest hardness values. Regarding the thicknesses, both the 0.5 and 1 mm ceramic thicknesses showed a significantly lower surface roughness than the 1.5 mm thickness, while the 1.5 mm thickness showed a significantly higher microhardness than the 0.5 mm thickness. The surface roughness and hardness were significantly affected by the ceramic composition and type of filler. It is recommended to use 1.5 mm-thick ceramic materials for the fabrication of definitive full-coverage ceramic restorations, while veneers require 0.5 mm-thick materials. ALD is a promising CAD/CAM material that can be used for the fabrication of restorations with a proper strength in both anterior and posterior regions.
Behaviour of Soil–Steel Composite Bridges under Strong Seismic Excitation with Various Boundary Conditions
Authors: Maleska Tomasz , Beben Damian
Published: January 2023

Soil–steel composite bridges typically range from 3 to 32 m, and they can be applied as an effective alternative for reinforced concrete bridges with short spans. They are able to meet the same design and safety requirements as traditional bridges more rapidly and at a lower cost. The behaviour of such bridges under seismic events is not yet recognized, because seismic excitations are completely different from the static and dynamic loads that have been analysed so far. This paper presents the results of the numerical study of two various types of soil–steel composite bridges under strong seismic excitation. The first soil–steel composite bridge has a span of 17.67 m and a height of 6.05 m, and the second consists of two shells with a span of 4.4 m each and a height of 2.8 m. Numerical analysis was performed for three models for each bridge, taking into account different boundary conditions. The applied boundary conditions are intended to represent the commonly used reinforcements of this type of bridges (reinforced concrete collar, reinforced concrete front wall). The obtained results were compared with the model in which such reinforcements were not used. Calculations were conducted using the DIANA program based on a finite element method. The non-linear models with seismic excitation of El Centro from 1940 and Time History analysis were applied. The conclusions from the study can be useful in making a decision regarding the design of the soil–steel composite bridges located in seismic zones. In addition, it was found that the effect of the applied strengthening is significant in the behaviour of soil–steel composite bridges.
Effect of Magnetic Resonance Imaging at 1.5 T and 3 T on Temperature and Bond Strength of Orthodontic Bands with Welded Tubes: An In Vitro Study
Authors: Sfondrini Maria Francesca , Gallo Simone , Pascadopoli Maurizio , Rizzi Cinzia , Boldrini Andrea , Santagostini Simone , Anemoni Luca , Gorone Maria Sole Prevedoni , Preda Lorenzo , Gandini Paola , Scribante Andrea
Published: January 2023

Magnetic resonance imaging (MRI) is a widely used diagnostic technique. Patients wearing orthodontic devices are often requested to remove their appliances before an MRI exam, even when the exam involves anatomical areas far from the head, in order to prevent the heating and detachment of the appliances. The present report aims to evaluate changes in temperature and adhesive forces of molar bands after MRI at two different strength outputs. Sixty stainless steel molar bands were bonded on permanent human upper molars using two different cements: Unitek Multi-Cure Glass Ionomer Band Cement (3M Unitek, Monrovia, CA, USA) and Transbond Plus Light Cure Band Adhesive (3M Unitek). Appliances were subjected to MRI with two different strengths (1.5 Tesla and 3 Tesla). Tubes and band temperature was measured before and after MRI. Subsequently, the shear bond strength (SBS) test was calculated. Data underwent statistical analysis (p < 0.05). After MRI, molar bands exhibited significant heating, even though not clinically relevant, with a temperature increase ranging between 0.48 °C and 1.25 °C (p < 0.05). SBS did not show significant differences (p > 0.05). The present study suggests that, under MRI, the molar bands tested are safe; therefore, their removal could be not recommended for non-head and neck MRI exams. Removal would be necessary just in artifact risk areas.
Predicting Compressive Strength and Hydration Products of Calcium Aluminate Cement Using Data-Driven Approach
Authors: Ponduru Sai Akshay , Han Taihao , Huang Jie , Kumar Aditya
Published: January 2023

Calcium aluminate cement (CAC) has been explored as a sustainable alternative to Portland cement, the most widely used type of cement. However, the hydration reaction and mechanical properties of CAC can be influenced by various factors such as water content, Li2CO3 content, and age. Due to the complex interactions between the precursors in CAC, traditional analytical models have struggled to predict CAC binders’ compressive strength and porosity accurately. To overcome this limitation, this study utilizes machine learning (ML) to predict the properties of CAC. The study begins by using thermodynamic simulations to determine the phase assemblages of CAC at different ages. The XGBoost model is then used to predict the compressive strength, porosity, and hydration products of CAC based on the mixture design and age. The XGBoost model is also used to evaluate the influence of input parameters on the compressive strength and porosity of CAC. Based on the results of this analysis, a closed-form analytical model is developed to predict the compressive strength and porosity of CAC accurately. Overall, the study demonstrates that ML can be effectively used to predict the properties of CAC binders, providing a valuable tool for researchers and practitioners in the field of cement science.
Kinetics and Thermodynamics of Adsorption for Aromatic Hydrocarbon Model Systems via a Coagulation Process with a Ferric Sulfate–Lime Softening System
Authors: Venegas-García Deysi J. , Wilson Lee D.
Published: January 2023

The adsorption mechanisms for model hydrocarbons, 4-nitrophenol (PNP), and naphthalene were studied in a coagulation-based process using a ferric sulfate–lime softening system. Kinetic and thermodynamic adsorption parameters for this system were obtained under variable ionic strength and temperature. An in situ method was used to investigate kinetic adsorption profiles for PNP and naphthalene, where a pseudo-first order kinetic model adequately described the process. Thermodynamic parameters for the coagulation of PNP and naphthalene reveal an endothermic and spontaneous process. River water was compared against lab water samples at optimized conditions, where the results reveal that ions in the river water decrease the removal efficiency (RE; %) for PNP (RE = 28 to 20.3%) and naphthalene (RE = 89.0 to 80.2%). An aluminum sulfate (alum) coagulant was compared against the ferric system. The removal of PNP with alum decreased from RE = 20.5% in lab water and to RE = 16.8% in river water. Naphthalene removal decreased from RE = 89.0% with ferric sulfate to RE = 83.2% with alum in lab water and from RE = 80.2% for the ferric system to RE = 75.1% for alum in river water. Optical microscopy and dynamic light scattering of isolated flocs corroborated the role of ions in river water, according to variable RE and floc size distribution.
Electronic Structure and Minimal Models for Flat and Corrugated CuO Monolayers: An Ab Initio Study
Authors: Slobodchikov Anatoly A. , Nekrasov Igor A. , Begunovich Lyudmila V. , Makarov Ilya A. , Korshunov Maxim M. , Ovchinnikov Sergey G.
Published: January 2023

CuO atomic thin monolayer (mlCuO) was synthesized recently. Interest in the mlCuO is based on its close relation to CuO2 layers in typical high temperature cuprate superconductors. Here, we present the calculation of the band structure, the density of states and the Fermi surface of the flat mlCuO as well as the corrugated mlCuO within the density functional theory (DFT) in the generalized gradient approximation (GGA). In the flat mlCuO, the Cu-3dx2−y2 band crosses the Fermi level, while the Cu-3dxz,yz hybridized band is located just below it. The corrugation leads to a significant shift of the Cu-3dxz,yz hybridized band down in energy and a degeneracy lifting for the Cu-3dx2−y2 bands. Corrugated mlCuO is more energetically favorable than the flat one. In addition, we compared the electronic structure of the considered CuO monolayers with bulk CuO systems. We also investigated the influence of a crystal lattice strain (which might occur on some interfaces) on the electronic structure of both mlCuO and determined the critical strains of topological Lifshitz transitions. Finally, we proposed a number of different minimal models for the flat and the corrugated mlCuO using projections onto different Wannier functions basis sets and obtained the corresponding Hamiltonian matrix elements in a real space.
Crack Evaluation of Concrete Using Mechanochromic Sensor
Authors: Pyeon Sujeong , Kim Hongseop , Choe Gyeongcheol , Lee Myeongkyu , Jeon Junseo , Kim Gyuyong , Nam Jeongsoo
Published: January 2023

In this study, the deformation of concrete materials was evaluated using a mechanochromic sensor that detects the discoloration reaction caused by deformation. This sensor was attached by applying the Loctite adhesive to both ends in the longitudinal direction. The process of applying tensile stress to the specimens was videotaped, and the deformation and discoloration were examined through image analysis. The mechanochromic sensor was not affected by the finished surface condition, and the discoloration reaction was detected for a concrete material deformation level of up to 0.01 mm. The detected level was caused by the elongation of the sensor, and the discoloration compared with the initial color was identified. In addition, the integration behavior of the mechanochromic sensor under the deterioration of concrete members in cold areas and winter environments, as well as the discoloration reaction of the sensor in a low-temperature environment, was examined. It was found that the discoloration ability of the mechanochromic sensor exposed to a low-temperature environment was restored in 2 h after the end of the freeze–thaw test, and it was judged that the deformation and discoloration levels will be properly measured when the surface temperature of the sensor is restored to a room temperature of approximately 15 °C. This appeared to be due to the room temperature recovery of the dielectric spacer of the sensor and the deformation structure of the resonance condition. The sensor was also attached when diagonal cracks occurred in the concrete beam members to evaluate the strain and discoloration rate according to the deformation and discoloration levels. Accordingly, the cracks and deformation of the concrete materials were monitored using measured values from the discoloration of the mechanochromic sensors, and the possibility of measuring the crack width was reviewed only by real-time monitoring and imaging with the naked eye.
Additively Manufactured 316L Stainless Steel Subjected to a Duplex Peening-PVD Coating Treatment
Authors: Bonnici Luana , Buhagiar Joseph , Cassar Glenn , Vella Kelsey Ann , Chen Jian , Zhang Xiyu , Huang Zhiquan , Zammit Ann
Published: January 2023

This research studies the individual and combined effects of mechanical shot peening and the deposition of TiAlCuN coating on additively manufactured 316L stainless steel. Shot peening has been found to induce a 40% increase in surface hardness, while the combined effect of shot peening and the coating produced an approximately three-fold increase in surface hardness when compared to the as-printed coupons. Shot peening reduced the surface roughness of printed metal coupons by 50%, showing that shot peening can also serve to improve the surface finish of as-printed 316L stainless steel components. The peening process was found to induce a compressive residual stress of 589 MPa, with a maximum affected depth of approximately 200 μm. Scratch testing of the printed and coated specimens showed complete delamination failure at a normal load of 14 N, when compared to hybrid treated samples which failed at 10 N. On the other hand, from the corrosion tests, it was found that the hybrid treated samples provided the optimal results as opposed to the other variables.
Mechanical and Thermal Properties of W-Ta-B Coatings Deposited by High-Power Impulse Magnetron Sputtering (HiPIMS)
Authors: Psiuk Rafał , Mościcki Tomasz , Chrzanowska-Giżyńska Justyna , Kurpaska Łukasz , Radziejewska Joanna , Denis Piotr , Garbiec Dariusz , Chmielewski Marcin
Published: January 2023

We present the deposition and characterization of tungsten-tantalum diboride (W,Ta)B2 coatings prepared by the high-power impulse magnetron sputtering technique. We evaluated the influence of pulse duration and substrate bias on the properties of (W,Ta)B2 films. A high hardness of up to 35 GPa measured by nanoindentation was simultaneously obtained with good elastic properties. Changing the pulse duration greatly affected the B/(W+Ta) atomic ratio, which influenced the properties of the coatings. The deposited films are thermally stable at up to 1000 °C in vacuum and are able to withstand oxidation at 500 °C.
Evaluating the Impact of Concrete Design on the Effectiveness of the Electrochemical Chloride Extraction Process
Authors: Szweda Zofia
Published: January 2023

This paper presents a simple comparative method for evaluating the impact of concrete design on the effectiveness of repair with the electrochemical chloride extraction (ECE) process of reinforced concrete structures. This comparison covered two concretes with different types of used cement. Penetration of chloride ions to induce corrosion processes was accelerated with the electric field. However, the corrosion process itself occurred naturally. When the corrosion process was found to pose a risk to the reinforcement, the profile of chloride ion concentration was determined at the depth of concrete cover. Corrosion current intensity during migration and extraction processes of chloride ions was measured with the LPR method. Then, this serious condition for the structure was repaired with electrochemical chloride extraction. Rates of chloride extraction were determined from the derived concentration profiles. It should be noted that the critical concentration Ccrit = 0.4% at the rebar surface was reached after 21 days of the migration process. Moreover, after the same time of extraction, the concentration was reduced by 95% at the rebar surface, which could suggest that extraction rate was slower than chloride ion migration to concrete within the electric field. Using the migration coefficient for predicting the extraction time, as well as ignoring the variability of the extraction coefficient and the initial concentration over time, may result in too short or unnecessarily long extraction times.
Giant Angular Nernst Effect in the Organic Metal α-(BEDT-TTF)2KHg(SCN)4
Authors: Krstovska Danica , Choi Eun Sang , Steven Eden
Published: January 2023

We have detected a large Nernst effect in the charge density wave state of the multiband organic metal α-(BEDT-TTF)2KHg(SCN)4. We find that apart from the phonon drag effect, the energy relaxation processes that govern the electron–phonon interactions and the momentum relaxation processes that determine the mobility of the q1D charge carriers have a significant role in observing the large Nernst signal in the CDW state in this organic metal. The emphasised momentum relaxation dynamics in the low field CDW state (CDW0) is a clear indicator of the presence of a significant carrier mobility that might be the main source for observation of the largest Nernst signal. The momentum relaxation is absent with increasing angle and magnetic field, i.e., in the high-field CDW state (CDWx) as evident from the much smaller Nernst effect amplitude in this state. In this case, only the phonon drag effect and electron–phonon interactions are contributing to the transverse thermoelectric signal. Our findings advance and change previous observations on the complex properties of this organic metal.
Life Cycle, PESTLE and Multi-Criteria Decision Analysis of Membrane Contactor-Based Nitrogen Recovery Process
Authors: Nagy Judit , Do Thi Huyen Trang , Toth Andras Jozsef
Published: January 2023

Nitrogen is one of the most critical nutrients in the biosphere, and it is an essential nutrient for plant growth. Nitrogen exists in the atmosphere vastly as a gaseous form, but only reactive nitrogen is usable for plants. It is a valuable resource and worth recovering in the wastewater sector. The aim of this work was to prepare a comprehensive environmental analysis of a novel membrane contactor-based process, which is capable of highly efficient nitrogen removal from wastewater. Life cycle assessment (LCA), PESTLE and multi-criteria decision analysis (MCDA) were applied to evaluate the process. The EF 3.0 method, preferred by the European Commission, IMPACT World+, ReCiPe 2016 and IPCC 2021 GWP100 methods were used with six different energy resources—electricity high voltage, solar, nuclear, heat and power and wind energy. The functional unit of 1 m3 of water product was considered as output and “gate-to-gate” analysis was examined. The results of our study show that renewable energy resources cause a significantly lower environmental load than traditional energy resources. TOPSIS score was used to evaluate the alternatives in the case of MCDA. For the EU region, the most advantageous option was found to be wind energy onshore with a score of 0.76, and the following, nuclear, was 0.70.
A Study of the Interaction between Xanthine Oxidase and Its Inhibitors from Chrysanthemum morifolium Using Computational Simulation and Multispectroscopic Methods
Authors: Wee Sze Ping , Loh Khye Er , Lam Kok Wai , Ismail Intan Safinar
Published: January 2023

The current therapeutic approach for gout is through the inhibition of the xanthine oxidase (XO) enzyme. Allopurinol, a clinically used XO inhibitor, causes many side effects. This study aimed to investigate the interaction between XO and inhibitors identified from Chrysanthemum morifolium by using computational simulation and multispectroscopic methods. The crude extract, petroleum ether, ethyl acetate (EtOAc), and residual fractions were subjected to an XO inhibitory assay and 1H NMR analysis. The EtOAc fraction was shown to be strongly correlated to the XO inhibitory activity by using PLS biplot regression analysis. Kaempferol, apigenin, homovanillic acid, and trans-cinnamic acid were suggested to contribute to the XO inhibitory activity. Molecular docking showed that kaempferol and apigenin bound to the active site of XO with their benzopyran moiety sandwiched between Phe914 and Phe1009, interacting with Thr1010 and Arg880 by hydrogen bonding. Kaempferol showed the lowest binding energy in molecular dynamic simulation. The residues that contributed to the binding energy were Glu802, Arg880, Phe 914, and Phe 1009. A fluorescence quenching study showed a combination of static and dynamic quenching for all four inhibitors binding to XO. Circular dichroism spectroscopy revealed that there was no major change in XO conformation after binding with each inhibitor.
Influence of Air Mass Advection on the Amount of Global Solar Radiation Reaching the Earth’s Surface in Poland, Based on the Analysis of Backward Trajectories (1986–2015)
Authors: Kulesza Kinga
Published: January 2023

The paper aims to analyse the relationship between the amount of global solar radiation (GSR) reaching the Earth’s surface in Poland and the direction of air mass advection, using 72-h backward trajectories (1986–2015). The study determined average daily sums of GSR related to groups of trajectories with certain similarities in shape. It was found that the average daily sums of GSR during air mass inflow from all the directions (clusters) identified were significantly different from the average daily sum in the multi-year period. A significant increase in the amount of GSR over Poland is accompanied by air mass inflow from the north and east. The frequency of these advection directions is 27% of all days. The western directions of advection prompt different GSR sums: from slightly increased during advection from the north-west, to significantly decreased during advection from the west (from the central and western part of the North Atlantic). Special attention was given to days with extremely large (above the 0.95 percentile) and with the largest (above the 0.99 percentile) GSR sums. These are prompted by two main types of synoptic conditions: the Azores High ridge covering Central and Southern Europe; and the high-pressure areas which appear in Northern and Central Europe.
Biosorption of Aqueous Pb(II), Co(II), Cd(II) and Ni(II) Ions from Sungun Copper Mine Wastewater by Chrysopogon zizanioides Root Powder
Authors: Madadgar Saba , Doulati Ardejani Faramarz , Boroumand Zohreh , Sadeghpour Hossein , Taherdangkoo Reza , Butscher Christoph
Published: January 2023

In this study, a plant-based adsorbent was used in order to remove lead, nickel, cobalt and cadmium metals from a wastewater sample collected from Sungun mine real wastewater. The biosorbent was one of the most abundant native plants of the Sungun region, named Chrysopogon zizanioides (C. zizanioides). The root powder of C. zizanioides was used in order to remove heavy metals from the wastewater sample. The biosorbent was characterized by FTIR, SEM, HR-TEM, EDS, BET and ZPC analyses. The effect of pH, initial metals concentrations, contact time and temperature on the biosorption process were accurately investigated. The metal concentrations were significantly reduced to lower concentrations after the biosorption process, which indicated that the C. zizanioides root powder removal efficiency was more than 95% for the metals from the wastewater sample, with maximum adsorption capacities of 31.78, 21.52, 26.69 and 27.81 mg/g, for Pb(II), Co(II), Cd(II) and Ni(II) ions, respectively. Furthermore, the adsorption kinetic results showed that the pseudo-second-order kinetic model correlated with the experimental data well, with correlation coefficient values of 1 for all metals. Isotherm studies illustrated that the Freundlich and Dubinin-Radushkevich (D-R) isotherm models could describe the obtained equilibrium data well. Moreover, from the D-R model, it was found that the biosorption type was physical. The thermodynamic studies demonstrated that the metals’ biosorption was an exothermic and spontaneous process. Moreover, the reusability of the biosorbent to be used in several successive cycles, and also the percentage of recovery of adsorbed metals from the biosorbent, was investigated. Altogether, being simple and cost-effective and having a high adsorption rate, fast kinetics, easy separation and high reusability prove that C. zizanioides root powder shows significant performance for the removal of heavy metals from waste effluents.
Synthesis, Spectroscopic Characterization, Antibacterial Activity, and Computational Studies of Novel Pyridazinone Derivatives
Authors: Daoui Said , Direkel Şahin , Ibrahim Munjed M. , Tüzün Burak , Chelfi Tarik , Al-Ghorbani Mohammed , Bouatia Mustapha , Karbane Miloud El , Doukkali Anass , Benchat Noureddine , Karrouchi Khalid
Published: January 2023

In this work, a novel series of pyridazinone derivatives (3–17) were synthesized and characterized by NMR (1H and 13C), FT-IR spectroscopies, and ESI-MS methods. All synthesized compounds were screened for their antibacterial activities against Staphylococcus aureus (Methicillin-resistant), Escherichia coli, Salmonella typhimurium, Pseudomonas aeruginosa, and Acinetobacter baumannii. Among the series, compounds 7 and 13 were found to be active against S. aureus (MRSA), P. aeruginosa, and A. baumannii with the lowest MIC value range of 3.74–8.92 µM. Afterwards, DFT calculations of B3LYP/6-31++G(d,p) level were carried out to investigate geometry structures, frontier molecular orbital, molecular electrostatic potential maps, and gap energies of the synthesized compounds. In addition, the activities of these compounds against various bacterial proteins were compared with molecular-docking calculations. Finally, ADMET studies were performed to investigate the possibility of using of the target compounds as drugs.
C3-Symmetric Ligands in Drug Design: When the Target Controls the Aesthetics of the Drug
Authors: Antonijevic Mirjana , Rochais Christophe , Dallemagne Patrick
Published: January 2023

A number of proteins are able to adopt a homotrimeric spatial conformation. Among these structures, this feature appears as crucial for biologic targets, since it facilitates the design of C3-symmetric ligands that are especially suitable for displaying optimized ligand–target interactions and therapeutic benefits. Additionally, DNA as a therapeutic target, even if its conformation into a superhelix does not correspond to a C3-symmetry, can also take advantage of these C3-symmetric ligands for better interactions and therapeutic effects. For the moment, this opportunity appears to be under-exploited, but should become more frequent with the discovery of new homotrimeric targets such as the SARS-CoV2 spike protein. Besides their potential therapeutic interest, the synthetic access to these C3-symmetric ligands often leads to chemical challenges, although drug candidates with an aesthetic structure are generally obtained.
Novel Synthesis of IMC-48 and Affinity Evaluation with Different i-Motif DNA Sequences
Authors: Berthiol Florian , Boissieras Joseph , Bonnet Hugues , Pierrot Marie , Philouze Christian , Poisson Jean-François , Granzhan Anton , Dejeu Jérôme , Defrancq Eric
Published: January 2023

During the last decade, the evidence for the biological relevance of i-motif DNA (i-DNA) has been accumulated. However, relatively few molecules were reported to interact with i-DNA, and a controversy concerning their binding mode, affinity, and selectivity persists in the literature. In this context, the cholestane derivative IMC-48 has been reported to modulate bcl-2 gene expression by stabilizing an i-motif structure in its promoter. In the present contribution, we report on a novel, more straightforward, synthesis of IMC-48 requiring fewer steps compared to the previous approach. Furthermore, the interaction of IMC-48 with four different i-motif DNA sequences was thoroughly investigated by bio-layer interferometry (BLI) and circular dichroism (CD) spectroscopy. Surprisingly, our results show that IMC-48 is a very weak ligand of i-DNA as no quantifiable interaction or significant stabilization of i-motif structures could be observed, stimulating a quest for an alternative mechanism of its biological activity.
Multi-Prismatic Hollow Cube CeVO4 with Adjustable Wall Thickness Directed towards Photocatalytic CO2 Reduction to CO
Authors: Zhou Yong , Wang Guan , Wu Jiahao , Chen Zihao , Zhang Chen , Li Ping , Zhou Yong , Huang Wei
Published: January 2023

Ternary orthovanadate compounds have received increasing attention due to their broad light absorption and diverse crystal structure. However, their multi-assembled crystal morphologies are limited mainly due to their initially polyatomic VO4 groups. In this study, multi-prismatic hollow cubic CeVO4 microstructures were fabricated by a one-step solvothermal method without any organic agents. The increase in wall thickness is in accordance with the radial direction of the quadrangular prism. Moreover, the overdose of the V precursor is favorable for the formation of hollow micro-cubic CeVO4, and the wall thickness changes from 200 to 700 nm. Furthermore, these CeVO4 microstructures were applied to photocatalytic CO2 reduction with a maximum CO generation rate of up to 78.12 μmol g−1 h−1 under visible light irradiation, which was several times higher than that of the other samples. This superior photocatalytic activity might be attributed to its good crystallinity and unique exposed interior structure. This study provides guidelines for the multi-assembled structure fabrication of ternary compounds and expands upon the exploration of the spatial structure of multivariate compounds.