bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermal Behavior of Carbon-Phenolic/Silica Phenolic Dual-Layer Ablator Specimens through Arc-Jet Tests
Authors: Chinnaraj Rajesh Kumar , Kim Young Chan , Choi Seong Man
Published: August 2023

We studied the behavioral characteristics of a newly developed dual-layer ablator, which uses carbon-phenolic as a recession layer and silica-phenolic as an insulating layer. The ablator specimens were tested in a 0.4 MW supersonic arc-jet plasma wind tunnel, employing two different shapes (flat-faced and hemispherical-faced) and varying thicknesses of the carbon-phenolic recession layer. The specimens underwent two test conditions, namely, stationary tests (7.5 MW/m2, ~40 s) and transient tests simulating an interplanetary spacecraft re-entry heat flux trajectory (6.25↔9.4 MW/m2, ~108 s). During the stationary tests, stagnation point temperatures of the specimens were measured. Additionally, internal temperatures of the specimens were measured at three locations for both stationary and transient tests: inside the carbon-phenolic recession layer, inside the silica-phenolic insulating layer, and at the recession layer–insulating layer intersection. The hemispherical-faced specimen surface temperatures were about 3000 K, which is about 350 K higher than those of flat-faced specimens, resulting in higher internal temperatures. The recession layer internal temperatures rose more exponentially when moved closer to the specimen stagnation point. Layer interaction and insulating layer internal temperatures were found to be dependent on both the recession layer thickness and the exposed surface shape. The change in exposed surface shape increased mass loss and recession, with hemispherical-faced specimens showing ~1.4-fold higher values than the flat-faced specimens.
Hydrophilic and Hydrophobic Surfaces: Features of Interaction with Liquid Drops
Authors: Antonov Dmitrii V. , Islamova Anastasya G. , Strizhak Pavel A.
Published: August 2023

The processes of interaction of liquid droplets with solid surfaces have become of interest to many researchers. The achievements of world science should be used for the development of technologies for spray cooling, metal hardening, inkjet printing, anti-icing surfaces, fire extinguishing, fuel spraying, etc. Collisions of drops with surfaces significantly affect the conditions and characteristics of heat transfer. One of the main areas of research into the interaction of drops with solid surfaces is the modification of the latter. Changes in the hydrophilic and hydrophobic properties of surfaces give the materials various functional properties—increased heat transfer, resistance to corrosion and biofouling, anti-icing, etc. This review paper describes methods for obtaining hydrophilic and hydrophobic surfaces. The features of the interaction of liquid droplets with such surfaces are considered. The existing and possible applications of modified surfaces are discussed, as well as topical areas of research.
Leaching of Copper Concentrates with Iodized Salts in a Saline Acid Medium: Part 2—Effect on Chloride Concentration and an Aerated System
Authors: Castellón César I. , Taboada María E.
Published: August 2023

To enhance the leaching of chalcopyrite concentrates, this study evaluated a new process for extracting copper using iodized solutions and sulfuric acid diluted in seawater without pressure or high temperatures. The work involved a leaching test carried out under various conditions by varying the concentrations of chloride ions, H2SO4, and an evenly distributed oxygen supply in an aeration system. It was demonstrated that Cl− ion addition could promote the chalcopyrite-leaching process. The leaching efficiency of copper reached 70% after 96 h. However, a chloride ion dosage excess can have the opposite effect on extraction, reducing copper recovery. XRD and SEM-EDS results showed that cuprous chloride (CuCl) was formed at high dosages (>0.5 M); meanwhile, at a lower dosage, elemental sulfur (S) was formed in the presence of sulfuric acid solution and seawater medium. In contrast, in an aerated system, surface roughness markedly increased due to continuous oxidation on the surface of the ore. This change in morphology and the high value of the redox potential, given by the aerated system and the acidic environment, allowed copper recovery of up to 70% after 96 h. The results showed that an aerated system is the most effective factor in chalcopyrite concentrate leaching.
Experimental and Simulation Study on Welding Characteristics and Parameters of Gas Metal Arc Welding for Q345qD Thick-Plate Steel
Authors: Zhang Hui , Li Rong , Yang Shuxuan , Zhan Liebang , Xiong Ming , Wang Ban , Zhang Juyong
Published: August 2023

The welding and construction processes for H-type thick-plate bridge steel involve complex multi-pass welding processes, which make it difficult to ensure its welding performance. Accordingly, it is crucial to explore the inherent correlations between the welding process parameters and welding quality, and apply them to welding robots, eliminating the instability in manual welding. In order to improve welding quality, the GMAW (gas metal arc welding) welding process parameters are simulated, using the Q345qD bridge steel flat joint model. Four welds with X-shaped grooves are designed to optimize the parameters of the welding current, welding voltage, and welding speed. The optimal welding process parameters are investigated through thermal–elastic–plastic simulation analysis and experimental verification. The results indicate that, when the welding current is set to 230 A, the welding voltage to 32 V, and the welding speed to 0.003 m/s, the maximum deformation of the welded plate is 0.52 mm, with a maximum welding residual stress of 345 MPa. Both the simulation results of multi-pass welding, and the experimental tests meet the welding requirements, as they show no excessive stress or strain. These parameters can be applied to building large steel-frame bridges using welding robots, improving the quality of welded joints.
Effect of Magnesium Substitution on Structural Features and Properties of Hydroxyapatite
Authors: Bystrov Vladimir S. , Paramonova Ekaterina V. , Avakyan Leon A. , Eremina Natalya V. , Makarova Svetlana V. , Bulina Natalia V.
Published: August 2023

Hydroxyapatite (HAP) is the main mineral component of bones and teeth. It is widely used in medicine as a bone filler and coating for implants to promote new bone growth. Ion substitutions into the HAP structure highly affect its properties. One of the most important substituents is magnesium. This paper presents new results obtained using high-precision hybrid density functional theory calculations for Mg/Ca substitutions in HAP in a wide magnesium concentration range within a 2 × 2 × 2 supercell model. Experimental data on the mechanochemical synthesis of HAP-Mg samples with different Mg concentrations are also presented. A comparison between the experiment and the theory showed good agreement: the HAP-Mg unit cell parameters and volume decreased with increasing degree of Mg/Ca substitution. The changes in the distances between the Ca and O, Ca and H, and Mg and O ions upon Mg/Ca substitution in different calcium positions was analyzed. The resulting asymmetry and distortion of the cell parameters were evaluated. It was shown that bulk modulus, energy levels, and band gap depend on the degree of Mg substitutions in the Ca1 and Ca2 positions. The formation energies of Mg/Ca substitutions showed non-monotonic behavior that was different for Ca1 and Ca2 positions. The Ca2 position had a slightly higher probability (~5 meV/f.u.) of substitution than Ca1 position at a Mg concentration x = 0.5. At x = 1, substitution in both positions can coexist. The simulated IR spectra for different Mg/Ca substitutions showed that Mg in the Ca2 position changes the IR spectrum more significantly than Mg in the Ca1 position. Similar changes were recorded in the IR spectra of the synthesized samples. The electronic structure is shown to be sensitive to the number and position of substitutions, which may be used to tweak the optical properties of the HAP-Mg material.
Assessing the Compatibility of Railway Station Layouts and Mixed Heterogeneous Traffic Patterns by Optimization-Based Capacity Estimation
Authors: Liao Zhengwen , Mu Ce
Published: August 2023

The operations performance of a railway station depends on the compatibility of its layout and the traffic pattern. It is necessary to determining an adaptable station layout for a railway station in accordance with its complex traffic pattern during the design phase. This paper assesses the railway station layout from a capacity perspective. In particular, this paper addresses an optimization-based capacity estimation approach for the layout variants of a railway station (i.e., the number of siding tracks and the structure of the connections in between) considering the traffic pattern variants. A mixed integer programming model for microscopic timetable compression is applied to calculate the occupation rate of the given traffic pattern with flexible route choices and train orders. A novel “schedule-and-fix” heuristic algorithm is proposed to solve large-scale instances efficiently. In the case study, we evaluate the performance of the schedule-and-fix method compared with the benchmark solvers Gurobi and CP-SAT. Applying the proposed method, we compare the capacity performances of the two station design schemes, i.e., one with a flyover and the other without. The result shows that, for the given instance, building a flyover gains capacity benefits as it reduces the potential conflict in the throat area. However, the level of benefit depends on the combination of trains. It is necessary to build the flyover when the proportion of turn-around trains is more than 70% from the perspective of station capacity.
Real-Time Video Smoke Detection Based on Deep Domain Adaptation for Injection Molding Machines
Authors: Chen Ssu-Han , Jang Jer-Huan , Youh Meng-Jey , Chou Yen-Ting , Kang Chih-Hsiang , Wu Chang-Yen , Chen Chih-Ming , Lin Jiun-Shiung , Lin Jin-Kwan , Liu Kevin Fong-Rey
Published: August 2023

Leakage with smoke is often accompanied by fire and explosion hazards. Detecting smoke helps gain time for crisis management. This study aims to address this issue by establishing a video smoke detection system, based on a convolutional neural network (CNN), with the help of smoke synthesis, auto-annotation, and an attention mechanism by fusing gray histogram image information. Additionally, the study incorporates the domain adversarial training of neural networks (DANN) to investigate the effect of domain shifts when adapting the smoke detection model from one injection molding machine to another on-site. It achieves the function of domain confusion without requiring labeling, as well as the automatic extraction of domain features and automatic adversarial training, using target domain data. Compared to deep domain confusion (DDC), naïve DANN, and the domain separation network (DSN), the proposed method achieves the highest accuracy rates of 93.17% and 91.35% in both scenarios. Furthermore, the experiment employs t-distributed stochastic neighbor embedding (t-SNE) to facilitate fast training and smoke detection between machines by leveraging domain adaption features.
An Adaptive Dimension Weighting Spherical Evolution to Solve Continuous Optimization Problems
Authors: Yang Yifei , Tao Sichen , Dong Shibo , Nomura Masahiro , Tang Zheng
Published: August 2023

The spherical evolution algorithm (SE) is a unique algorithm proposed in recent years and widely applied to new energy optimization problems with notable achievements. However, the existing improvements based on SE are deemed insufficient due to the challenges arising from the multiple choices of operators and the utilization of a spherical search method. In this paper, we introduce an enhancement method that incorporates weights in individuals’ dimensions that are affected by individual fitness during the iteration process, aiming to improve SE by adaptively balancing the tradeoff between exploitation and exploration during convergence. This is achieved by reducing the randomness of dimension selection and enhancing the retention of historical information in the iterative process of the algorithm. This new SE improvement algorithm is named DWSE. To evaluate the effectiveness of DWSE, in this study, we apply it to the CEC2017 standard test set, the CEC2013 large-scale global optimization test set, and 22 real-world problems from CEC2011. The experimental results substantiate the effectiveness of DWSE in achieving improvement.
A Review of Mathematical Models Used to Estimate Wheeled and Tracked Unmanned Ground Vehicle Kinematics and Dynamics
Authors: Alexa Octavian , Ciobotaru Ticușor , Grigore Lucian Ștefăniță , Grigorie Teodor Lucian , Ștefan Amado , Oncioiu Ionica , Priescu Iustin , Vlădescu Cristina
Published: August 2023

This paper presents mathematical models to estimate the kinematics and dynamics of wheeled and tracked robots. The models account for the physical–mechanical characteristics of the ground, the influence of the center of gravity displacement on the cornering moment of resistance, and the influence of the interaction of the crawler with the roadway. The results of the models are characterized by defining computational relationships for a robot’s equations of motion, longitudinal forces, transverse forces, and resistive turning moments generated via longitudinal forces and transverse forces.
Quantile Estimation Using the Log-Skew-Normal Linear Regression Model with Application to Children’s Weight Data
Authors: Morán-Vásquez Raúl Alejandro , Giraldo-Melo Anlly Daniela , Mazo-Lopera Mauricio A.
Published: August 2023

In this article, we establish properties that relate quantiles of the log-skew-normal distribution to its parameters, allowing us to investigate the relationship between quantiles of a positive skewed response variable and a set of explanatory variables via the log-skew-normal linear regression model. We compute the maximum likelihood estimates of the parameters through a correspondence between the log-skew-normal and skew-normal linear regression models. Monte Carlo simulations show the satisfactory performance of the quantile estimators. An application to children’s data is presented and discussed.
Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane
Authors: Bashmmakh Bandar J. , Wang Xiaoyu , Jameson Cynthia J. , Murad Sohail
Published: August 2023

Recent experimental work has shown zeolite membrane-based separation as a promising potential technology for Kr/Xe gas mixtures due to its much lower energy requirements in comparison to cryogenic distillation, the conventional separation method for such mixtures. Such a separation is also economically rewarding because Xe is in high demand, as a valuable product for many applications/processes. In this work, we have used Molecular Dynamics (MD) simulations to study the effects of different conditions, i.e., temperature, pressure, and gas feed composition, on Kr/Xe separation performance via DD3R zeolite membranes. We provide a comprehensive study of the permeation of the different gas species, density profiles, and diffusion coefficients. Molecular simulations show that if the feed is changed from pure Kr/Xe to an equimolar mixture, the Kr/Xe separation factor increases, which agrees with experiments. In addition, when Ar is introduced as a sweep gas, the adsorption of both Kr and Xe increases, while the permeation of pure Kr increases. A similar behavior is observed with equimolar mixtures of Kr/Xe with Ar as the sweep gas. High-separation Kr/Xe selectivity is observed at 50 atm and 425 K but with low total permeation rates. Changing pressure and temperature are found to have profound effects on optimizing the separation selectivity and the permeation throughput.
Co(II)-Chelated Polyimines as Oxygen Reduction Reaction Catalysts in Anion Exchange Membrane Fuel Cells
Authors: Huang Yu-Chang , Wang Yen-Zen , Hsieh Tar-Hwa , Ho Ko-Shan
Published: August 2023

In this paper, a cobalt (Co)-chelated polynaphthalene imine (Co-PNIM) was calcined to become an oxygen reduction reaction (ORR) electrocatalyst (Co-N-C) as the cathode catalyst (CC) of an anion exchange membrane fuel cell (AEMFC). The X-ray diffraction pattern of CoNC-1000A900 illustrated that the carbon matrix develops clear C(002) and Co(111) planes after calcination, which was confirmed using high-resolution TEM pictures. Co-N-Cs also demonstrated a significant ORR peak at 0.8 V in a C–V (current vs. voltage) curve and produced an extremely limited reduction current density (5.46 mA cm−2) comparable to commercial Pt/C catalysts (5.26 mA cm−2). The measured halfway potential of Co-N-C (0.82 V) was even higher than that of Pt/C (0.81 V). The maximum power density (Pmax) of the AEM single cell upon applying Co-N-C as the CC was 243 mW cm−2, only slightly lower than that of Pt/C (280 mW cm−2). The Tafel slope of CoNC-1000A900 (33.3 mV dec−1) was lower than that of Pt/C (43.3 mV dec−1). The limited reduction current density only decayed by 7.9% for CoNC-1000A900, compared to 22.7% for Pt/C, after 10,000 redox cycles.
Effect of Minor Ce Substitution for Pr on the Glass Formability and Magnetocaloric Effect of a Fe88Zr4Pr4B4 Metallic Glass
Authors: Zhu Li-Ze , Wang Qiang , Zheng Shu-Hui , Wang Peng-Jie , Ding Ding , Tang Ben-Zhen , Yu Peng , Yao Jin-Lei , Xia Lei
Published: August 2023

In the present work, Fe88Zr4Pr3B4Ce1 metallic glass (MG) was successfully prepared by minor Ce substitution for Pr, and compared with Fe88Zr4Pr4B4 MG in terms of glass forming ability (GFA), magnetic and magnetocaloric properties. The GFA, Tc and the maximum magnetic entropy change (−ΔSmpeak) of the Fe88Zr4Pr3B4Ce1 MG were found to decrease slightly. At the same time, the possible interaction mechanism of minor Ce replacing Pr was also explained. The critical exponents (β, γ and n) obtained by the Kouvel–Fisher method indicate that Fe88Zr4Pr3B4Ce1 MG near Tc exhibits typical magnetocaloric behavior of fully amorphous alloys. The considerable maximum magnetic entropy change (−ΔSmpeak = 3.84 J/(kg × K) under 5 T) near its Curie temperature (Tc = 314 K) as well as RCP (~ 646.3 J/kg under 5 T) make the Fe88Zr4Pr3B4Ce1 MG a better candidate as a component of the amorphous hybrids that exhibit table-shape magnetic entropy change profiles within the operation temperature interval of a magnetic refrigerator.
Ratcheting–Fatigue Damage Assessment of Additively Manufactured SS304L and AlSi10Mg Samples under Asymmetric Stress Cycles
Authors: Servatan M. , Hashemi S. M. , Varvani-Farahani A.
Published: August 2023

The present study aims to investigate the interaction of ratcheting and fatigue phenomena for additively manufactured (AM) samples of SS304L and AlSi10Mg undergoing uniaxial asymmetric stress cycles. Overall damage was accumulated through fatigue and ratcheting on AM samples prepared from three-dimensional-printed plates along vertical and horizontal directions. Fatigue damage was evaluated based on the strain energy density fatigue approach and ratcheting damage was calculated through use of an isotropic–kinematic hardening framework. The isotropic description through the Lee–Zavrel (L–Z) model formed the initial and concentric expansion of yield surfaces while the Ahmadzadeh–Varvani (A–V) kinematic hardening rule translated yield surfaces into the deviatoric stress space. Ratcheting of AM samples was simulated using finite element analysis through use of triangular and quadrilateral elements. Ratcheting values of the AM samples were simulated on the basis of Chaboche’s materials model. The predicted and simulated ratcheting damage curves placed above the experimental fatigue–ratcheting experimental data while predicted fatigue damage curves collapsed below the measured values. The overall damage was formulated to partition damage weights due to fatigue and ratcheting phenomena.
Synergistic Effect of Alloying on the Strength and Ductility of High Carbon Pearlitic Steel
Authors: Min Na , Zhu Yingqi , Fan Shitao , Xiao Yang , Zhou Liqin , Li Wei , Zhao Sixin
Published: August 2023

In this work, the effects of the micro-alloying of Mn, Ni, and Si on the microstructure and mechanical properties of high-carbon pearlite steels were investigated. The results indicated that the addition of solely Ni to high-carbon pearlitic steel can enhance the strength through the refinement of interlamellar spacing, but work-hardening in the ferrite of the pearlite colony may be delayed, leading to a reduction in area. The multiple additions of Ni and the increase in Mn and Si contents in high-carbon pearlitic steel were beneficial to obtaining a balance between ultimate tensile strength and reduction in area. Three-dimensional atom probe tomography results showed Si partitioning into ferrite and Mn and Ni elements partitioning into cementite. The addition of Si inhibited the formation of a continuous network of grain-boundary cementite, leading to high strength and high ductility through optimization of the microstructure.
Simulation and Optimization of Shot Peening Process for CoCrFeNiAlx High-Entropy Alloy
Authors: Li Xiaodong , Gou Guoqing , Jiang Chuanhai , Xu Jijin
Published: August 2023

In this work, Ti-10V-2Fe-3Al alloy was selected as the test material, and the shot peening process of a CoCrFeNiAlx system high-entropy alloy was simulated based on effective test conditions, and the effects of dry shot peening and wet shot peening on the surface properties were determined. Preliminary simulation results the surface of the test sample display a clear plastic deformation state that gradually diminishes and shifts towards the outermost layer. The stress transfer of the test sample gradually decreases, showing a gradient change, and the twin density also shows a random sample change. Then, the high-entropy alloy shot peening process was optimized, and the best process parameters were determined by analyzing the microhardness data, depth of action layer, and surface state. It was found that after wet shot peening, a new characteristic peak is generated, and with the increase in the size of the shot, its overall kinetic energy becomes increasingly higher, the strain energy of the material surface becomes increasingly higher, and the grain refinement is relatively high. This work provides a new approach to investigating the issues that are present during the shot peening process of CoCrFeNiAlx system high-entropy alloys.
The Cyclic Stability of the Superelasticity in Quenched and Aged Ni44Fe19Ga27Co10 Single Crystals
Authors: Timofeeva Ekaterina , Panchenko Elena , Zherdeva Maria , Tokhmetova Aida , Chumlyakov Yuriy I.
Published: August 2023

The effect of aging (at 773 K for 1 h) on the cyclic stability of superelasticity was studied in preliminarily quenched (after annealing at 1448 K for 1 h) Ni44Fe19Ga27Co10 [001]-oriented single crystals. It was shown that NiFeGaCo single crystals (both quenched and aged) exhibited highly stable superelasticity during more than 105 loading/unloading cycles in compression without destruction. The degradation of the superelasticity curves was divided into stages, and each stage of degradation was carefully considered. The precipitation of ω-phase particles led to a change in the degradation mechanism of superelasticity in the aged crystals. The main degradation mechanism for quenched crystals is a formation of uniform distribution of dislocations; for aged crystals, the microstructural degradation mechanisms consist of a non-uniform distribution of dislocations around the particles and the appearance of residual martensite.
The Role of Organokines in Obesity and Type 2 Diabetes and Their Functions as Molecular Transducers of Nutrition and Exercise
Authors: Lim Ji Ye , Kim Eunju
Published: August 2023

Maintaining systemic homeostasis requires the coordination of different organs and tissues in the body. Our bodies rely on complex inter-organ communications to adapt to perturbations or changes in metabolic homeostasis. Consequently, the liver, muscle, and adipose tissues produce and secrete specific organokines such as hepatokines, myokines, and adipokines in response to nutritional and environmental stimuli. Emerging evidence suggests that dysregulation of the interplay of organokines between organs is associated with the pathophysiology of obesity and type 2 diabetes (T2D). Strategies aimed at remodeling organokines may be effective therapeutic interventions. Diet modification and exercise have been established as the first-line therapeutic intervention to prevent or treat metabolic diseases. This review summarizes the current knowledge on organokines secreted by the liver, muscle, and adipose tissues in obesity and T2D. Additionally, we highlighted the effects of diet/nutrition and exercise on the remodeling of organokines in obesity and T2D. Specifically, we investigated the ameliorative effects of caloric restriction, selective nutrients including ω3 PUFAs, selenium, vitamins, and metabolites of vitamins, and acute/chronic exercise on the dysregulation of organokines in obesity and T2D. Finally, this study dissected the underlying molecular mechanisms by which nutrition and exercise regulate the expression and secretion of organokines in specific tissues.
Metabolic Bile Acid Profile Impairments in Dogs Affected by Chronic Inflammatory Enteropathy
Authors: Comito Rossana , Porru Emanuele , Interino Nicolò , Conti Matteo , Terragni Rossella , Gotti Roberto , Candela Marco , Simoni Patrizia , Roda Aldo , Fiori Jessica
Published: August 2023

Bile acids (BAs), endogenous acidic steroids synthetized from cholesterol in the liver, play a key role in the gut–liver axis physiopathology, including in hepatotoxicity, intestinal inflammatory processes, and cholesterol homeostasis. Faecal Oxo-BAs, relatively stable intermediates of oxidation/epimerization reactions of the BA hydroxyls, could be relevant to investigating the crosstalk in the liver–gut axis and the relationship between diseases and alterations in microbiota composition. A paucity of information currently exists on faecal BA profiles in dogs with and without chronic inflammatory enteropathy (CIE). Comprehensive assessment of 31 molecules among faecal BAs and related microbiota metabolites was conducted with high-performance liquid chromatography tandem mass spectrometry (HPLC-MS/MS). Odds ratios (ORs) for associations of BAs with CIE were estimated using logistic regression. Principal component analysis was performed to find differences between the control and pathological dogs. Higher levels of primary BAs and muricholic acids, and lower levels of secondary BAs were found in pathological dogs. Higher concentrations in faecal oxo-metabolites were associated with the absence of CIE (OR < 1). This study shows a marked difference in faecal BA profiles between dogs with and without CIE. Further research will be needed to better understand the role of oxo-BAs and muricholic acids in CIE dogs.
Finite Element Study for Mass Sensitivity of Love Surface Acoustic Wave Sensor with Si3N4-SiO2 Double-Covered Waveguiding Layer
Authors: Li Luming , Zhou Mingyong , Huang Lei , Jiang Bingyan
Published: August 2023

Love surface acoustic wave (L-SAW) sensors are miniaturized, easy to integrate, and suitable for detection in liquid environments. In this paper, an L-SAW sensor with a thin Si3N4-SiO2 double-covered layer was proposed for samples with small mass loads. The output response, phase velocity of the acoustic wave, and the mass sensitivity were analyzed using the finite element method (FEM). The simulation results show that the Si3N4 layer with high wave velocity greatly weakens the limitation of SiO2 on the phase velocity. The phase velocity can reach about 4300 m/s, which can increase the frequency shift when the same mass load is applied. Within a certain range, the mass sensitivity of the sensor is enhanced with the increase in the total thickness of the waveguiding layer and the thickness ratio of Si3N4 in the double-covered layer. When the thickness ratio is 1:2, the peak value of the mass sensitivity of the sensor is approximately 50% higher than that achieved with only the SiO2 waveguiding layer. The surface average stress of the delay line region follows the same trend as the mass sensitivity. The increase in mass sensitivity is the result of the heightened stress on the sensor surface. This L-SAW sensor, featuring a double-covered waveguiding layer, demonstrates high sensitivity and a simple structure. The simulation results lay a foundation for the design and manufacture of SAW sensors.
Toxoplasmosis Screening during Pregnancy in a Romanian Infectious Diseases Tertiary Center: Results of a 15 Years Follow-Up Program
Authors: Briciu Violeta , Ionică Angela Monica , Flonta Mirela , Almaș Ariana , Muntean Monica , Topan Adriana , Horvat Melinda , Ungureanu Liviu , Lupșe Mihaela
Published: August 2023

Maternal infection with Toxoplasma gondii during pregnancy may have serious consequences for the fetus. In Romania, screening for toxoplasmosis is included in the first antenatal visit. A retrospective study was performed on all toxoplasmosis antenatal screening patients between May 2008 and February 2023. Twenty-seven thousand one hundred sixty-nine (27,169) pregnant women presented for prenatal screening once (22,858) or several times: during the same pregnancy (209) or during multiple pregnancies (4102). Thirty-one thousand six hundred fifty-eight (31,658) tests for IgM and IgG antibodies were performed. Nine thousand eighty-three (9083) tests (28.69%), corresponding to 7911 women (29.12%), were positive for IgG antibodies. The seroprevalence increased with patients’ age, decreased in time intervals, and was more frequently associated with rural residence. At risk for acquiring the infection during the pregnancy were women with negative anti-Toxoplasma IgG antibodies (70.88%), but only 0.9% of them presented for rescreening during the same pregnancy. Acute Toxoplasma infection (ATI) was suspected in 44 patients (0.16%) due to IgG seroconversion and/or low or borderline IgG avidity. A questionnaire follow-up interview was performed, and no congenital toxoplasmosis was identified in children born from mothers with probable ATI. Our study demonstrates poor compliance with the screening program in the Romanian population.
Using Wastewater Surveillance to Monitor Gastrointestinal Pathogen Infections in the State of Oklahoma
Authors: Kuhn Katrin Gaardbo , Shukla Rishabh , Mannell Mike , Graves Grant M. , Miller A. Caitlin , Vogel Jason , Malloy Kimberly , Deshpande Gargi , Florea Gabriel , Shelton Kristen , Jeffries Erin , De León Kara B. , Stevenson Bradley
Published: August 2023

During the COVID-19 pandemic, wastewater surveillance was widely used to monitor temporal and geographical infection trends. Using this as a foundation, a statewide program for routine wastewater monitoring of gastrointestinal pathogens was established in Oklahoma. The results from 18 months of surveillance showed that wastewater concentrations of Salmonella, Campylobacter, and norovirus exhibit similar seasonal patterns to those observed in reported human cases (F = 4–29, p < 0.05) and that wastewater can serve as an early warning tool for increases in cases, offering between one- and two-weeks lead time. Approximately one third of outbreak alerts in wastewater correlated in time with confirmed outbreaks of Salmonella or Campylobacter and our results further indicated that several outbreaks are likely to go undetected through the traditional surveillance approach currently in place. Better understanding of the true distribution and burden of gastrointestinal infections ultimately facilitates better disease prevention and control and reduces the overall socioeconomic and healthcare related impact of these pathogens. In this respect, wastewater represents a unique opportunity for monitoring infections in real-time, without the need for individual human testing. With increasing demands for sustainable and low-cost disease surveillance, the usefulness of wastewater as a long-term method for tracking infectious disease transmission is likely to become even more pronounced.
Carbon Isotope Stratigraphy across the Devonian–Carboniferous Boundary in the East Paleo-Tethys Realm, Tibet, China
Authors: Cai Zhanhu , Yi Haisheng , You Hong
Published: August 2023

The Devonian–Carboniferous boundary is one of the most important turning points in geological history, marked by the Late Paleozoic Ice Age and Late Devonian extinction. This study investigates the carbon isotope stratigraphy across the Devonian–Carboniferous boundary in Lhasa block, Tibet, China, which was part of the Gondwana continent during that time. The carbon isotope curves show a significant negative excursion trend, consistent with those of the South China block and other regions on the Laurentia continent. This global negative shift may be attributed to the burial of significant amounts of 12C-rich organic matter in strata, a consequence of the Late Devonian extinction event. Based on the carbon isotope curve and stratigraphic data of the Lhasa block, this study determined, for the first time, the specific horizon of the Devonian–Carboniferous boundary in Tibet, which is located between grayish white bioclastic limestone and yellowish-brown sandy limestone in the upper part of the Chaguoluoma Formation (D1C1ĉ). These findings provide a new reference for the international stratigraphic community to reconsider the position of GSSP on the Devonian–Carboniferous boundary, as well as study the Late Devonian mass extinction and Late Paleozoic glaciation.
Upward Trends and Lithological and Climatic Controls of Groundwater Arsenic, Fluoride, and Nitrate in Central Mexico
Authors: Morales-deAvila Heriberto , Gutiérrez Mélida , Colmenero-Chacón Claudia Patricia , Júnez-Ferreira Hugo Enrique , Esteller-Alberich Maria Vicenta
Published: August 2023

Central Mexico is known for its high concentrations of geogenic arsenic (As) and fluoride (F−) in the groundwater; however, concentrations vary widely within the region. To identify specific hydrogeological processes that cause these variations, the study area was divided into four sections, each section with a particular lithology, climate, and land use. Nitrate was added to the analysis as a common anthropic contaminant in this area as one that is indicative of human and agricultural activities. Concentration maps, Na-normalized diagrams, Spearman correlation, and upward trend analyses were applied to 77 wells distributed across the four sections. Specific patterns of concentration emerged according to climate and the lithology of the exposed rocks. A sharp reduction of F− concentrations in the section where carbonate rocks outcrop suggested co-precipitation of F− with calcite. The Mann–Kendall method detected upward trends in 5 out of 54 wells for As and NO3–N and three for F− at a 95% probability level. Several wells with upward trends of As and NO3–N overlapped. Only one well showed a downward trend for NO3–N. The results show the degree to which lithology and climate affect groundwater quality, information that leads to a better understanding of the processes (and health hazards) that govern As, F−, and NO3–N concentrations, which could be construed to include the potential effect of human activities such as overfertilization and altering groundwater residence time via groundwater withdrawals.
The Role of Te, As, Bi, and Sb in the Noble Metals (Pt, Pd, Au, Ag) and Microphases during Crystallization of a Cu-Fe-S Melt
Authors: Sinyakova Elena Fedorovna , Goryachev Nikolay Anatolievich , Kokh Konstantin Aleksandrovich , Karmanov Nikolay Semenovich , Gusev Viktor Aleksandrovich
Published: August 2023

Quasi-equilibrium directional crystallization was performed on a melt composition (at. %): 18.50 Cu, 32.50 Fe, 48.73 S, 0.03 Pt, Pd, Ag, Au, Te, As, Bi, Sb, and Sn, which closely resembles the Cu-rich massive ores found in the platinum-copper-nickel deposits of Norilsk. Base metal sulfides (BMS) such as pyrrhotite solid solution (Fe,Cu)S1±δ (Poss), non-stoichiometric cubanite Cu1.1Fe1.9S3 (Cbn*), and intermediate solid solution Cu1.0Fe1.2S2.0 (Iss) are progressively precipitated from the melt during the crystallization process. The content of noble metals and semimetals in the structure of BMS is below the detection limit of SEM-EDS analysis. Only tin exhibits significant solubility in Cbn* and Iss, meanwhile Pt, Pd, Au, Ag, As, Bi, Sb, and Te are present as discrete composite inclusions, comprising up to 11 individual phases, within their matrices. These microphases correspond to native Au, native Bi, hessite Ag2Te, sperrylite Pt(As,S)2, hedleyite Bi2Te, michenerite PdTeBi, froodite PdBi2, a solid solution of sudburite-sobolevskite-kotulskite Pd(Sb, Bi)xTe1−x, geversite PtSb2, and a multicomponent solid solution based on geversite Me(TABS)2, where Me = Σ(Pt, Pd, Fe, Cu) and TABS = Σ(Te, As, Bi, Sb, Sn). Most of the inclusions occur as thin layers between BMS grain boundaries or appear drop-shaped and subhedral to isometric grains within the sulfide matrix. Only a small fraction of the trace elements form mineral inclusions of sizes ≤ 0.5 μm in Poss, most likely including PtAs2 and (Pt,Pd)S. It is likely that the simultaneous presence of noble metals (Pt, Pd, Au, Ag) and semimetals (As, Te, Bi, Sb) in the sulfide melt leads to the appearance of liquid droplets in the parent sulfide melt after pyrrhotite crystallization. The solidification of droplets during the early stages of Cbn* crystallization may occur simultaneously with the cooling of later fractions of the sulfide melt, resulting in the formation of Iss. In addition, abundant gas voids containing micro-inclusions were observed in Cbn* and Iss. These inclusions showed similar chemical and mineral compositions to those in BMS matrices, i.e., the presence of gas bubbles did not affect the main features of noble metal fractionation and evolution. Therefore, it is reasonable to assume that ore particles suspended in the melt are either trapped by defects at the crystallization front or transported towards gas bubbles via the Marangoni effect.
Aqueous Binary Mixtures of Stearic Acid and Its Hydroxylated Counterpart 12-Hydroxystearic Acid: Fine Tuning of the Lamellar/Micelle Threshold Temperature Transition and of the Micelle Shape
Authors: Almeida Maëva , Dudzinski Daniel , Rousseau Bastien , Amiel Catherine , Prévost Sylvain , Cousin Fabrice , Le Coeur Clémence
Published: August 2023

This study examines the structures of soft surfactant-based biomaterials which can be tuned by temperature. More precisely, investigated here is the behavior of stearic acid (SA) and 12-hydroxystearic acid (12-HSA) aqueous mixtures as a function of temperature and the 12-HSA/SA molar ratio (R). Whatever R is, the system exhibits a morphological transition at a given threshold temperature, from multilamellar self-assemblies at low temperature to small micelles at high temperature, as shown by a combination of transmittance measurements, Wide Angle X-ray diffraction (WAXS), small angle neutron scattering (SANS), and differential scanning calorimetry (DSC) experiments. The precise determination of the threshold temperature, which ranges between 20 °C and 50 °C depending on R, allows for the construction of the whole phase diagram of the system as a function of R. At high temperature, the micelles that are formed are oblate for pure SA solutions (R = 0) and prolate for pure 12-HSA solutions (R = 1). In the case of mixtures, there is a progressive continuous transition from oblate to prolate shapes when increasing R, with micelles that are almost purely spherical for R = 0.33.
Biogenic Nanoparticles Silver and Copper and Their Composites Derived from Marine Alga Ulva lactuca: Insight into the Characterizations, Antibacterial Activity, and Anti-Biofilm Formation
Authors: Hamouda Ragaa A. , Alharthi Mada A. , Alotaibi Amenah S. , Alenzi Asma Massad , Albalawi Doha A. , Makharita Rabab R.
Published: August 2023

Bacterial pathogens cause pain and death, add significantly to the expense of healthcare globally, and pose a serious concern in many aspects of daily life. Additionally, they raise significant issues in other industries, including pharmaceuticals, clothing, and food packaging. Due to their unique properties, a great deal of attention has been given to biogenic metal nanoparticles, nanocomposites, and their applications against pathogenic bacteria. This study is focused on biogenic silver and copper nanoparticles and their composites (UL/Ag2 O-NPS, Ul/CuO-NPs, and Ul/Ag/Cu-NCMs) produced by the marine green alga Ulva lactuca. The characterization of biogenic nanoparticles UL/Ag2 O-NPS and Ul/CuO-NPs and their composites Ul/Ag/Cu-NCMs has been accomplished by FT-IR, SEM, TEM, EDS, XRD, and the zeta potential. Minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) experiments were conducted to prove antibacterial activity against both Gram-positive and Gram-negative bacteria and anti-biofilm. The FTIR spectroscopy results indicate the exiting band at 1633 cm−1, which represents N–H stretching in nanocomposites, with a small shift in both copper and silver nanoparticles, which is responsible for the bio-reduction of nanoparticles. The TEM image reveals that the Ul/Ag/Cu-NCMs were hexagonal, and the size distribution ranged from 10 to 35 nm. Meanwhile, Ul/CuO-NPs are rod-shaped, whereas UL/Ag2 O-NPS are spherical. The EDX analysis shows that Cu metal was present in a high weight percentage over Ag in the case of bio-Ag/Cu-NCMs. The X-ray diffraction denotes that Ul/Ag/Cu-NCMs, UL/CuO-NPs, and UL/Ag2 O-NPS were crystalline. The results predicted by the zeta potential demonstrate that Ul/Ag/Cu-NCMs were more stable than Ul/CuO-NPs. The antibacterial activity of UL/Ag2 O-NPS, Ul/Ag/Cu-NCMs, and UL/CuO-NPs was studied against eleven Gram-negative and Gram-positive multidrug-resistant bacterial species. The maximum inhibition zones were obtained with UL/Ag2 O-NPS, followed by Ul/Ag/Cu-NCMs and Ul/CuO-NPs in all the tested bacteria. The maximum anti-biofilm percentage formed by E. coli KY856933 was obtained with UL/Ag2 O-NPS. These findings suggest that the synthesized nanoparticles might be a great alternative for use as an antibacterial agent against different multidrug-resistant bacterial strains.
Design, Synthesis, and Antimicrobial Activity Evaluation of Ciprofloxacin—Indole Hybrids
Authors: Song Mingxia , Hua Yi , Liu Yuxin , Xiao Xunli , Yu Haihong , Deng Xianqing
Published: August 2023

With the overuse and misuse of antimicrobial drugs, antibacterial resistance is becoming a critical global health problem. New antibacterial agents are effective measures for overcoming the crisis of drug resistance. In this paper, a novel set of ciprofloxacin-indole/acetophenone hybrids was designed, synthesized, and structurally elucidated with the help of NMR and high-resolution mass spectrometry. The in vitro antibacterial activities of these hybrids against gram-positive and gram-negative pathogens, including four multidrug-resistant clinical isolates, were evaluated and compared with those of the parent drug ciprofloxacin (CIP). All the target compounds (MIC = 0.0625–32 μg/mL) exhibited excellent inhibitory activity against the strains tested. Among them, 3a (MIC = 0.25–8 μg/mL) showed comparable or slightly less potent activity than CIP. The most active hybrid, 8b (MIC = 0.0626–1 μg/mL), showed equal or higher activity than CIP. Moreover, compound 8b showed superior bactericidal capability to CIP, with undetectably low resistance frequencies. Furthermore, molecular docking studies conducted showed that 8b and CIP had a similar binding mode to DNA gyrase (Staphylocouccus aureus). Thus, hybrids 3a and 8b could act as a platform for further investigations.
Inhibition of Enzymes Involved in Neurodegenerative Disorders and Aβ1–40 Aggregation by Citrus limon Peel Polyphenol Extract
Authors: Arcone Rosaria , D’Errico Antonio , Nasso Rosarita , Rullo Rosario , Poli Annarita , Di Donato Paola , Masullo Mariorosario
Published: August 2023

Alzheimer’s (AD) and Parkinson’s diseases (PD) are multifactorial neurogenerative disorders of the Central Nervous System causing severe cognitive and motor deficits in elderly people. Because treatment of AD and PD by synthetic drugs alleviates the symptoms often inducing side effects, many studies have aimed to find neuroprotective properties of diet polyphenols, compounds known to act on different cell signaling pathways. In this article, we analyzed the effect of polyphenols obtained from the agro-food industry waste of Citrus limon peel (LPE) on key enzymes of cholinergic and aminergic neurotransmission, such as butyryl cholinesterase (BuChE) and monoamine oxidases (MAO)-A/B, on Aβ1–40 aggregation and on superoxide dismutase (SOD) 1/2 that affect oxidative stress. In our in vitro assays, LPE acts as an enzyme inhibitor on BuChE (IC50 ~ 73 µM), MAO-A/B (IC50 ~ 80 µM), SOD 1/2 (IC50 ~ 10–20 µM) and interferes with Aβ1–40 peptide aggregation (IC50 ~ 170 µM). These results demonstrate that LPE behaves as a multitargeting agent against key factors of AD and PD by inhibiting to various extents BuChE, MAOs, and SODs and reducing Aβ-fibril aggregation. Therefore, LPE is a promising candidate for the prevention and management of AD and PD symptoms in combination with pharmacological therapies.
Sampling and Mapping Chemical Space with Extended Similarity Indices
Authors: López-Pérez Kenneth , López-López Edgar , Medina-Franco José L. , Miranda-Quintana Ramón Alain
Published: August 2023

Visualization of the chemical space is useful in many aspects of chemistry, including compound library design, diversity analysis, and exploring structure–property relationships, to name a few. Examples of notable research areas where the visualization of chemical space has strong applications are drug discovery and natural product research. However, the sheer volume of even comparatively small sub-sections of chemical space implies that we need to use approximations at the time of navigating through chemical space. ChemMaps is a visualization methodology that approximates the distribution of compounds in large datasets based on the selection of satellite compounds that yield a similar mapping of the whole dataset when principal component analysis on a similarity matrix is performed. Here, we show how the recently proposed extended similarity indices can help find regions that are relevant to sample satellites and reduce the amount of high-dimensional data needed to describe a library’s chemical space.
Properties and Applications of Quaternary Ammonium Gemini Surfactant 12-6-12: An Overview
Authors: Brycki Bogumił , Szulc Adrianna , Brycka Justyna , Kowalczyk Iwona
Published: August 2023

Surfactants are amphiphilic molecules and one of the most versatile products of the chemical industry. They can be absorbed at the air–water interface and can align themselves so that the hydrophobic part is in the air while the hydrophilic part is in water. This alignment lowers the surface or interfacial tension. Gemini surfactants are a modern variety of surfactants with unique properties and a very wide range of potential applications. Hexamethylene-1,6-bis(N-dodecyl-N,N-dimethylammonium bromide) is one such representative compound that is a better alternative to a single analogue. It shows excellent surface, antimicrobial, and anticorrosion properties. With a highly efficient synthetic method and a good ecological profile, it is a potential candidate for numerous applications, including biomedical applications.