bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced High Voltage Stability of Spinel‐Type Structured LiNi0.5Mn1.5O4 Electrodes: Targeted Octahedral Crystal Site Modification
Authors: Zou Jinshuo , Liang Gemeng , Zhang Shilin , Thomsen Lars , Fan Yameng , Pang Wei Kong , Guo Zaiping , Peterson Vanessa K. 
Published: May 2024

AbstractHigh‐voltage spinel‐type structured LiNi0.5Mn1.5O4 (LNMO) shows promise as a next‐generation high‐energy‐density lithium‐ion battery cathode material, however, capacity decay on extended cycling hinders its widespread adoption, underscoring an urgent need for further development. In this work, we introduce Zn at octahedral 16c crystal sites in LNMO with Fd
m space group to improve rate capability and reduce the rapid capacity decay otherwise experienced during extended cycling. The current work resolves the detailed influence of isolated modification at octahedral 16c crystal sites, unveiling the mechanism for these performance improvements. We show that occupation of Zn at previously empty 16c sites prevents the migration of Ni/Mn to adjacent 16c sites, eliminating transformation to a rock‐salt type structured Ni0.25Mn0.75O2 phase above 4.8 V, preventing structure degradation and suppressing voltage polarization. This study provides insights into the fundamental structure‐function relationship of the LNMO battery cathode, pointing to pathways for the crystal structure engineering of materials with superior performance.
Impact of introducing a new biological matrix into a validated bioanalytical method: Focus on matrix protein content
Authors: Brown Stacy D. 
Published: May 2024

AbstractInternational guidance on bioanalytical method validation recommends the practice of partial validation when introducing a new matrix from the same species into a previously fully validated assay. Planning the partial validation protocol should include an evaluation of analyte chemistry, consideration of sample container materials, and a comparison of properties between the relevant biological matrices. Transition of a serum/plasma‐validated bioanalytical method to analysis from a low‐protein matrix, such as urine, cerebral spinal fluid, or oral fluid can result in inconsistent analyte recovery. The low recovery can potentially be mistaken for signal suppression or lack of drug stability and may be more pronounced in low‐concentration or low‐volume samples. In addition, adsorption and absorption interactions with containers may be exacerbated in low‐protein matrices. Several possibilities exist for mitigating the impact of non‐specific binding and low‐protein matrices, including surfactants, bovine serum albumin, and β‐cyclodextrin. Finally, higher matrix protein can facilitate analyte stability. Given all this, matrix protein content should not be overlooked when anticipating a partial bioanalytical method validation.
How generative AI is (will) change consumer behaviour: Postulating the potential impact and implications for research, practice, and policy
Authors: Mogaji Emmanuel , Jain Varsha 
Published: May 2024

AbstractThis article sheds light on the profound impact of technology on consumer behavior, specifically focusing on the rise of generative AI tools. It highlights how these advancements have revolutionized consumer engagement, purchase decision‐making, and technology interaction. The article underscores the transformative potential of generative AI in shaping consumer behavior through personalized recommendations and interactive shopping experiences. It emphasizes the need for continued research and exploration to comprehend and effectively navigate the ever‐evolving landscape of consumer behavior influenced by generative AI. Additionally, the article identifies implications for research and practice, offers valuable strategies for brands, and presents a comprehensive research agenda to delve deeper into this field. Ultimately, it provides valuable insights into the challenges and opportunities presented by generative AI in consumer behavior, serving as a guiding resource for advancing theory, practice, and policy in this domain.
Removal of Co(II) and various metal ions from the residue of the zinc plant through solvent extraction using both acid and neutral extractants
Authors: Maleki Fatemeh , Torkaman Rezvan , Asadollahzadeh Mehdi 
Published: May 2024

AbstractThe recovery of cobalt from secondary sources is a crucial issue in technology development, particularly for its numerous applications in various industries. Solvent extraction has proven an effective method for metallic ions separation from secondary sources. The main goal of this work was to study the separation of metals by solvent extraction technique from zinc plant leach waste. Initially, several extractants, including Cyanex 272, Cyanex 301, LIX 5640 H, Alamine 336, and tri‐n‐octylamine (TOA), were tested to treat the leach solution. It was discovered that the saponified extractant di‐(2‐ethylhexyl) phosphoric acid (D2EHPA) (10%) + tri‐n‐butyl phosphate (TBP) (10%) effectively eliminated interfering elements such as manganese, zinc, and iron, with extraction efficiencies of 95%, 98%, and 99.9%, respectively. To increase the concentration of cobalt in the purified solution, the cobalt recovery step was performed using various acids on the loaded organic phase. The best outcome was achieved using ammonium sulphate salt (1 M), which recovered about 50% of the cobalt present in the organic phase. The recovered cobalt was then subjected to the electrowinning process to produce cobalt metal of high purity. A cathodic current density of 100 A/m2 was determined to be the optimal current for the electrolyte solution. Lastly, scanning electron microscope (SEM) and X‐ray fluorescence (XRF) analyses were carried out to examine the structure and purity of the resulting metallic cobalt, which was found to have a purity of 99.5%.
Experimental methods in chemical engineering: Karl Fischer titration
Authors: Rivera‐Quintero Paula , Patience Gregory S. , Patience Nicolas A. , Boffito Daria C. , Banquy Xavier , Schieppati Dalma 
Published: May 2024

AbstractKarl Fischer titration (KF) measures the water content in organic and inorganic compounds. Water reacts with a titrant solution containing iodine and a sulphurous monoalkyl ester to produce a monoalkyl sulphate ester and HI. In volumetric titrators, a burette injects the titrant directly into a cell while coulometric titrators generate titrant in situ. Regardless of the volume of the sample, volumetric titration is limited to 100 mg, while coulometric titration is best suited for . KF is fast (), considered accurate (), and precise (). However, factors such as humidity, non‐standard analytes (hexane, isopropanol, ethylene glycol), tritrant composition, and temperature compromise its repeatability: the % sample standard deviation, (), varied from 2% to 60% (). This high variability is, in part, due to the experimental design that included samples and conditions ill‐suited for the technique. However, even for the tests for which KF is suitable, . Certain compounds react with the titrant, which increases the variability. The main sources of error affecting the analysis are ambient moisture, pH, solvent, sample handling, and titration speed. As of 2023, the Web of Science has indexed 1332 articles with Karl Fischer as a key word (Topic), but more than 3600 mentioning the technique (All fields). A bibliometric analysis classifies these contributions into five clusters: spectroscopy, stability, temperature, solubility, and mixtures.
Selective Upcycling of Polyethylene over Ru/H‐ZSM‐5 Bifunctional Catalyst into High‐Quality Liquid Fuel at Mild Conditions
Authors: Gao Li , Zhong Xia , Liu Jie , Chen Junnan , Wang Ziru , Zhang Ying , Wang Deli , Shakeri Mozaffar , Zhang Xia , Zhang Bingsen 
Published: May 2024

AbstractIt has been known that plastics with undegradability and long half‐times have caused serious environmental and ecological issues. Considering the devastating effects, the development of efficient plastic upcycling technologies with low energy consumption is absolutely imperative. Catalytic hydrogenolysis of single‐use polyethylene over Ru‐based catalysts to produce high‐quality liquid fuel has been one of the current top priority strategies, but it is restricted by some tough challenges, such as the tendency towards methanation resulting from terminal C−C cleavage. Herein, we introduced Ru nanoparticles supported on hollow ZSM‐5 zeolite (Ru/H‐ZSM‐5) for hydrocracking of high‐density polyethylene (HDPE) under mild reaction conditions. The implication of experimental results is that the 1Ru/H‐ZSM‐5 (~1 wt % Ru) acted as an effective and reusable bifunctional catalyst providing higher conversion rate (82.53 %) and liquid fuel (C5−C21) yield (62.87 %). Detailed characterization demonstrated that the optimal performance in hydrocracking of PE could be attributed to the moderate acidity and appropriate positively charged Ru species resulting from the metal‐zeolite interaction. This work proposes a promising catalyst for plastic upcycling and reveals its structure‐performance relationship, which has guiding significance for catalyst design to improve the yield of high‐value liquid fuels.
Galectin‐3 levels and long‐term all‐cause mortality and hospitalization in heart failure patients: a meta‐analysis
Authors: Cheng Wenke , Maciej Rosolowski , Thiele Holger , Büttner Petra 
Published: May 2024

AbstractAimsThis meta‐analysis investigated the dose–response relationship between circulating galectin‐3 levels and adverse outcomes in patients with heart failure (HF).Methods and resultsPubMed and Embase were screened for studies on galectin‐3 and HF. The outcomes of interest were all‐cause mortality (ACM), and all‐cause mortality or HF‐related rehospitalization (ACM/HFR), with a follow‐up time of more than 6 months. For categorical variables, comparisons between groups with the highest and lowest galectin‐3 levels were pooled. For continuous variables, the risks of ACM and ACM/HFR increase per 1‐standard deviation (SD) and 1‐unit after logarithmic transformation galectin‐3 levels were pooled. A random‐effects model was employed to calculate the pooled results, and all pooled results were expressed as hazard ratios (HRs) and 95% confidence intervals (CIs). Besides, a dose–response analysis was performed. Twenty‐four cohort studies were included. In HF patients, higher circulating galectin‐3 levels were significantly associated with a higher risk of long‐term ACM (HR, 1.65; 95% CI 1.28–2.13; I2 = 66%), and 1 ng/mL increase in galectin‐3 was associated with a 4% (HR, 1.04; 95% CI 1.02–1.06; P = 0.002) increase in hazard. Similarly, higher circulating galectin‐3 levels were significantly associated with a higher risk of long‐term ACM/HFR (HR, 1.52; 95% CI, 1.15 to 2.00; I2 = 76%), and 1 ng/mL increase in galectin‐3 was associated with a 3% (HR, 1.03; 95% CI 1.02–1.04; P < 0.001) increase in hazard. An increase of 1‐SD in galectin‐3 units was associated with a 29% increased hazard of long‐term ACM (HR 1.29; 95% CI 1.13–1.48; I2 = 42%) and a 22% increased hazard of ACM/HFR (HR 1.22; 95% CI 1.07–1.38; I2 = 60%). Similarly, an increase of 1‐log in galectin‐3 units was associated with a 98% higher hazard of long‐term ACM (HR 1.98; 95% CI 1.48–2.65; I2 = 41%) and an 83% higher hazard of ACM/HFR in HF patients (HR 1.83; 95% CI 1.02–3.28; I2 = 7%). Correlation analysis showed a moderate positive correlation between baseline galectin‐3 and N terminal pro brain natriuretic peptide levels (r = 0.48, P = 0.045) and a weak negative correlation with eGFR (r = −0.39, P = 0.077).ConclusionsHigher circulating galectin‐3 levels after hospitalization of HF patients are linearly and positively associated with the risk of long‐term ACM and ACM/HFR.
Supramolecular Chemistry: Exploring the Use of Electronic Structure, Molecular Dynamics, and Machine Learning Approaches
Authors: Colaço Matheus C. , Glitz Vinícius A. , Jacobs Amanda K. , Port Vinícius C. , Caramori Giovanni F. 
Published: May 2024

AbstractThis review aims to highlight the role that computational chemistry has played in advancing the supramolecular chemistry field. We demonstrated recent uses of computational methodologies to elucidate noncovalent interactions in various processes occurring in supramolecular systems. We also emphasized the contributions of these techniques to studying reactions within confined space, showing how computational methodologies help clarify the effects of reactivity and conformational locking. Furthermore, we underscore the utilization of Molecular Dynamics (MD) in elucidating dynamical processes, understanding temperature and pressure effects, and exploring conformational space within supramolecular chemistry. Finally, we highlight the impact that the age of machine learning has on computational chemistry, showing how these universal approximators can enhance existing methods, predict properties, and efficiently explore the chemical space encompassed by these complex systems.
Isolation and characterization of rabies monoclonal antibody charge variants
Authors: Divase Ambika , Pisal Sambhaji , Dake Manjusha Sudhakar , Dakshinamurthy Pravin Kumar , Reddy PeddiReddy Shrinivas , Dhere Rajeev , Kamat Chandrashekhar , Chahar Digamber Singh , Pal Jayanta , Nawani Neelu 
Published: May 2024

AbstractCurrent postexposure prophylaxis of rabies includes vaccines, human rabies immunoglobulin (RIG), equine RIG, and recombinant monoclonal antibodies (mAb). In the manufacturing of rabies recombinant mAb, charge variants are the most common source of heterogeneity. Charge variants of rabies mAb were isolated by salt gradient cation exchange chromatography (CEX) to separate acidic and basic and main charge variants. Separated variants were further extensively characterized using orthogonal analytical techniques, which include secondary and tertiary structure determination by far and near ultraviolet circular dichroism spectroscopy. Charge and size heterogeneity were evaluated using CEX, isoelectric focusing (IEF), capillary‐IEF, size exclusion chromatography, sodium dodecyl sulfate polyacrylamide gel electrophoresis, and western blotting. Antigen binding affinity was assessed by enzyme linked immuno‐sorbent assay and rapid florescence foci inhibition test. Results from structural and physicochemical characterizations concluded that charge variants are formed due to posttranslational modification demonstrating that the charge heterogeneity, these charge variants did neither show any considerable physicochemical change nor affect its biological function. This study shows that charge variants are effective components of mAb and there is no need of deliberate removal, until biological functions of rabies mAb will get affected.
High dimensional variable selection through group Lasso for multiple function‐on‐function linear regression: A case study in PM10 monitoring
Authors: Evangelista Adelia , Acal Christian , Aguilera Ana M. , Sarra Annalina , Di Battista Tonio , Palermi Sergio 
Published: May 2024

SummaryAnalyzing the effect of chemical and local meteorological variables over the behaviour in concentrations in the Abruzzo region (Italy), with the objective of forecasting and controlling air quality, motivates the current work. Given that the available data are curves that represent the day‐to‐day variations, a multiple function‐on‐function linear regression (MFFLR) model is considered. By assuming the Karhunen‐Loève expansion, MFFLR model can be reduced to a classical linear regression model for each principal component of the functional response in terms of all principal components (PCs) of the functional predictors. In this sense, a regularization approach for functional principal component regression based on the merge of functional data analysis with group Lasso is proposed. This novel methodology allows to estimate the model and, simultaneously, select those relevant functional predictors with the functional response, where each functional independent variable is represented by a group of input variables derived by the PCs.
A zero‐inflated Poisson spatial model with misreporting for wildfire occurrences in southern Italian municipalities
Authors: Arima Serena , Calculli Crescenza , Pollice Alessio 
Published: May 2024

AbstractWe propose a Poisson model for zero‐inflated spatial counts contaminated by measurement error: we accommodate the excess of zeroes in the counts, consider the possible under/over reporting of the response and account for the neighboring structure of spatial areal units. Bayesian inferences are provided by MCMC implementation through the R package NIMBLE. To evaluate the model performance, a simulation study is carried out under configurations that allow for structured and unstructured spatial random effects. The proposed model is applied to investigate the distribution of the counts of wildfire occurrences in the municipal areas of two neighboring Italian regions for the summer season 2021. Fire counts are obtained by processing MODIS satellite data, while several socio‐economic and environmental‐driven potential risk factors are also considered in the model formulation. Data from multiple sources with different spatial support are processed in order to comply with the municipal units. Results suggest the appropriateness of the approach and provide some insights on the features of wildfire occurrences.
Gender violence, emotion, and the state symposium commentary
Authors: Lamphere Louise 
Published: May 2024

AbstractFeminist anthropologists have long emphasized the cultural, social, economic, and political contexts of gender violence rather than only focusing on interpersonal relationships between intimate partners or within the family. This commentary situates the five articles in the Gender Violence, Emotion, and the State Symposium within that context while noting their “evocative ethnographic” approach as a vital contribution to feminist anthropological thought, paying particular attention to power and its exercise within institutions and various forms of structural violence.
A hybrid CPU‐GPU paradigm to accelerate reactive CFD simulations
Authors: Ghioldi Federico , Piscaglia Federico 
Published: May 2024

AbstractThe solution of reactive computational fluid dynamics (CFD) simulations is accelerated by the implementation of a hybrid central processing unit/graphics processing units (CPU/GPU) Finite Volume solver based on the operator‐splitting strategy, where the chemistry integration is treated independently of the flow solution. The integration of ordinary differential equations (ODEs) describing the finite‐rate chemical kinetics is solved by an adaptive multi‐block explicit solver on GPUs, while the load of the fluid solution is distributed on a multicore CPU algorithm. The resulting speed‐up for reactive CFD simulations is up to 10; the performance gain increases with the size of the mechanism. The proposed implementation is general and can be applied to any CFD problem where the governing equations for the fluid transport are coupled with an ODE system. Code validation is performed against reference solutions on a selection of test cases involving reacting flows.
Perspectives on the impact of generative AI on early‐childhood development and education
Authors: Kanders Karlis , Stupple‐Harris Louis , Smith Laurie , Gibson Jenny Louise 
Published: May 2024

AbstractGenerative artificial intelligence (GAI) is rapidly becoming ubiquitous in many contexts. There is limited scholarship, however, in the fields of Developmental Psychology and Early Childhood Education exploring the implications of generative AI for babies and young children. In this Perspectives piece, we discuss potential use cases, opportunities, and risks for the application of AI in early childhood. Our insights are informed by extensive discussion with stakeholders and by desk research carried out in our roles as academics and analysts in a social innovation foundation. Our aim is to stimulate nuanced and informed discourse on the topic of generative AI in early childhood that can inform innovation in both research and practice.
Daily links between objective smartphone use and sleep among adolescents
Authors: Burnell Kaitlyn , Garrett Shedrick L. , Nelson Benjamin W. , Prinstein Mitchell J. , Telzer Eva H. 
Published: May 2024

AbstractIntroductionConcerns abound on how digital technology such as smartphone use may impair adolescent sleep. Although these linkages are supported in cross‐sectional studies, research involving intensive longitudinal assessments and objective measures has called into question the robustness of associations.MethodsIn this study, a sample of ethnically diverse U.S. adolescents (N = 71; Mage = 16.49; 56% girls) wore Fitbit devices and submitted screenshots of their smartphone screen time, pickups, and notifications over a 14‐day period in 2021. The Fitbits recorded nightly sleep quality and sleep onset. Adolescents also completed daily diaries reporting the previous night's sleep onset time and sleep quality.ResultsOn days when adolescents engaged in greater nighttime screen time and, to some extent, pickups relative to their own average, they also had poorer sleep outcomes that night. Greater screen time was associated with later self‐reported and Fitbit‐recorded sleep onset and poorer self‐reported sleep quality. Greater pickups was associated with later self‐reported and Fitbit‐recorded sleep onset. Smartphone use during the day did not relate to sleep outcomes, indicating the importance of distinguishing nighttime from daytime use.ConclusionsParents and clinicians should help adolescents develop healthy digital skills to avoid exacerbating sleep problems that are known to occur during this developmental period.
An FBG‐based optical pressure sensor for the measurement of radial artery pulse pressure
Authors: Gowda Ranjith B. , Sharan Preeta , Saara K  , Braim Mona , Alodhayb Abdullah N. 
Published: May 2024

AbstractOne of the diagnostic tool for clinical evaluation and disease diagnosis is a pulse waveform analysis. High fidelity radial artery pulse waveforms have been investigated in clinical research to compute central aortic pressure, which has been demonstrated to be predictive of cardiovascular diseases. The radial artery must be inspected from several angles in order to obtain the best pulse waveform for estimate and diagnosis. In this study, we present the design and experimental testing of an optical sensor based on Fiber Bragg Gratings (FBG). A 3D printed device along with the FBG is used to measure the radial artery pulses. The proposed sensor is used for the purpose of quantifying the radial artery pulse waveform across major pulse position point. The suggested optical sensing system can measure the pulse signal with good accuracy. The main characteristic parameters of the pulse can then be retrieved from the processed signal for their use in clinical applications. By conducting experiments under the direction of medical experts, the pulse signals are measured. In order to experimentally validate the sensor, we used it to detect the pulse waveforms at Guan position of the wrist's radial artery in accordance with the diagnostic standards. The findings show that combining optical technologies for physiological monitoring and radial artery pulse waveform monitoring using FBG in clinical applications are highly feasible.