bluuebunny/crossref_metadata_2025_split huggingface dataset:
Study on the impact of hybridization of spherical fillers with size differences and sheet fillers on the thermal conductivity and anticorrosive performance of composite coatings
Authors: Ma Wen‐Xuan , Zhao Le , You Qian , Cui Lu , Li Weili , Gui Taijiang , Zhao Zheng‐Bai 
Published: August 2024

AbstractThe improvement of anti‐corrosion performance and enhancement of functionality in anti‐corrosion coatings are essential. Boron nitride (BN), as a two‐dimensional thermal conductive filler, is incorporated into composite coatings to provide corrosion resistance and thermal conductivity. The combination of BN with zero‐dimensional filler alumina (Al2O3) proves to be an effective method for enhancing the thermal conductivity of composite coatings. In this study, micro alumina (Micro‐Al2O3) and/or nano alumina (Nano‐Al2O3) were combined with BN to be integrated into waterborne epoxy resin (WER), resulting in different composite coatings (BN@Micro‐Al2O3/WER, BN@Nano‐Al2O3/WER, and BN@Micro‐Al2O3/Nano‐Al2O3/WER). The influence of different hybrid modes of two‐dimensional and zero‐dimensional thermal conductive fillers on corrosion resistance and thermal conductivity was discussed. The composite coating BN@Micro‐Al2O3/Nano‐Al2O3/WER exhibits the highest thermal conductivity at 0.789 W/mK with a filler loading of 30 wt% BN, 4 wt% Micro‐Al2O3, and 6 wt% Nano‐Al2O3. Meanwhile, the composite coating BN@Nano‐Al2O3 demonstrates superior anti‐corrosion performance at a filler loading of 20 wt% BN and 10 wt% Nano‐Al2O3. After immersion in a 28‐day period in a NaCl solution with a concentration of 3.5%, the impedance modulus remains above 109 Ω·cm2, while corrosion current density is measured at 7.3367 × 10−8 A/cm2. The hybrid mode involving two‐dimensional and zero‐dimensional thermal conductive fillers can effectively improve the composite coatings' corrosion resistance and thermal conductivity. There are variations in the optimal hybrid methods for incorporating two‐dimensional and zero‐dimensional thermal conductive fillers to enhance anti‐corrosion and heat conduction effectiveness of coatings.Highlights
The properties of coating is improved by the incorporation of BN and Al2O3.
The prepared coating performs good thermal conductivity.
The synergy of BN and Al2O3 can improve thermal conductivity significantly.
The obtained coating performs good corrosion resistance.
The synergy of BN and Al2O3 can also improve anti‐corrosion effectively.
Experimental study on ultrasonic vibration‐assisted drilling performance of carbon fiber polyetherketoneketone laminate
Authors: Wu Nan , Zhang Liqiang , Zhang Meihua , Xu Panping , Liu Gang 
Published: August 2024

AbstractParts made from carbon fiber reinforced polyetherketoneketone (CF/PEKK) primarily use mechanical connections during assembly, where the quality of hole processing directly impacts the connection strength. However, defects like delamination, burrs, and fiber pull‐out frequently occur during drilling. While existing research focuses on optimizing conventional drilling (CD) and helical milling (HM), ultrasonic vibration‐assisted drilling (UVAD) shows superior performance in reducing thrust force and defects. This study experimentally evaluates the hole‐making performance of CF/PEKK using the UVAD method. It examines the effects of ultrasonic vibration on thrust force, drilling temperature, processing damage, chip morphology, and surface microstructure, and discusses the damage suppression mechanism. The results show that the UVAD method significantly reduces thrust force and drilling temperature compared to the CD method, with similar trends in delamination and burr damage. This study demonstrates that using the UVAD method for drilling CF/PEKK laminates effectively reduces thrust force, drilling temperature, and machining damage, thereby significantly improving processing quality. The material removal mechanism of UVAD was analyzed, offering substantial insights and practical guidance for the efficient drilling of CF/PEKK laminates.Highlights
The drilling performance of CF/PEKK was studied.
The drilling quality of UVAD and CD is compared by experiments.
UVAD has a lower thrust force and drilling temperature.
UVAD can reduce machining damage and improve machining quality.
Prolonged magnesium sulfate infusion as adjuvant analgesia in postoperative transplant patients in the pediatric ICU: Preliminary results of a feasibility study
Authors: Resch Joseph C. , Graf Shelby , Ghalban Ranad , Chinnakotla Srinath , Fischer Gwenyth 
Published: August 2024

AbstractThe opioid crisis has emphasized identification of opioid‐sparing analgesics. This study was designed as a prospective trial with retrospective control group to determine feasibility for implementing a high‐dose prolonged magnesium sulfate infusion for adjuvant analgesia in the pediatric intensive care unit. Approval was granted for study of children receiving total pancreatectomy with islet cell autotransplantation and liver transplantation ages 3–18 years. Study exclusions were pregnancy, neuromuscular disease, hypersensitivity, preoperative creatinine >1.5 times upper limit normal, arrhythmia or pacemaker presence, and clinician concern. Eleven patients were enrolled between January 2020 and December 2022. Magnesium sulfate bolus (50 mg/kg) followed by intravenous infusion (15 mg/kg/h) was initiated in the operating room and extended postoperatively (maximum 48 h). Serum magnesium levels were monitored serially. To prioritize safety, infusion dose was decreased by 5 mg/kg/h for levels greater than 3.5 mg/dL. Clinical team otherwise followed standard multimodal pain practice. Primary outcome was oral morphine equivalent per kg per day during intensive care course (maximum 7 days). Secondary outcomes focused primarily on magnesium safety, including hemodynamic variables, electrolyte variables, respiratory support, and opioid‐related side effects. There were no serious adverse events. Treatment group trended toward slightly higher intravenous fluid requirement (~1 bolus), however no increase in blood product. Treatment and control groups were otherwise comparable in targeted outcomes and overall adverse event profile. Use of a high‐dose magnesium sulfate infusion protocol for analgesic postoperative use in select transplant recipients appears feasible for continued optimization of study in the PICU.
Indirect modeling of derived outcomes: Are minor prediction discrepancies a cause for concern?
Authors: Prybylski John P. 
Published: August 2024

AbstractIt is often a goal of model development to predict data from which a variety of outcomes can be derived, such as threshold‐based categorization or change from baseline (CFB) transformations. This approach can improve power or support multiple decisions. Because these derivations are indirectly predicted from the model, they are valuable tests for misspecification when used in visual or numeric predictive checks (V/NPCs). However, derived outcome V/NPCs (especially if primary or key secondary) are often overly scrutinized and held to an uncommon standard when comparing model predictions to point estimates, even if by conventional standards both the directly and indirectly modeled data are captured well. Here, simulations of directly modeled data were used to determine where apparent issues in V/NPCs of derived outcomes are expected. Two types of datasets were simulated: (1) a simple pre–post study and (2) pharmacokinetic/pharmacodynamic data from a dose‐ranging study. A psoriasis exposure–response model case study was also assessed. V/NPCs were generated on the raw data, CFB data, and placebo‐corrected CFB (dCFB) data, and binned summary statistics of the observed data for each trial were graded as being strongly or weakly supportive of a predictive model (within the interquartile range or the 95% central distribution of all simulated trials, respectively). In all cases, the strength of support in direct data V/NPCs was minimally related to that in derived outcome V/NPCs. There are myriad benefits to modeling the underlying data of a derived measure, and these results support caution in discarding adequate models based on overly strict derived measure predictive checks.
Principles for Defining Estimands in Clinical Trials—A Proposal
Authors: Mütze Tobias , Bell James , Englert Stefan , Hougaard Philip , Jackson Dan , Lanius Vivian , Ravn Henrik 
Published: August 2024

ABSTRACTThe ICH E9(R1) guideline outlines the estimand framework, which aligns planning, design, conduct, analysis, and interpretation of a clinical trial. The benefits and value of using this framework in clinical trials have been outlined in the literature, and guidance has been provided on how to choose the estimand and define the estimand attributes. Although progress has been made in the implementation of estimands in clinical trials, to the best of our knowledge, there is no published discussion on the basic principles that estimands in clinical trials should fulfill to be well defined and consistent with the ideas presented in the ICH E9(R1) guideline. Therefore, in this Viewpoint article, we propose four key principles for defining an estimand. These principles form a basis for well‐defined treatment effects that reflect the estimand thinking process. We hope that this Viewpoint will complement ICH E9(R1) and stimulate a discussion on which fundamental properties an estimand in a clinical trial should have and that such discussions will eventually lead to an improved clarity and precision for defining estimands in clinical trials.
Interaction between Halogenated Phenols and Thyroxine‐Binding Protein: A Multispectral and Computational Approach
Authors: Liang Wenhui , Chen Yanting , Huang Muwei , Song Zeyu , Li Cancan , Zheng Yanhong , Yi Zhongsheng 
Published: August 2024

AbstractThe aim of this study was to understand the interaction between transthyretin (TTR) and halogenated phenols (HPs) including 2,4‐dichlorophenol (DCP), 2,4,6‐trichlorophenol (TCP), pentachlorophenol (PCP), 2‐bromophenol (2‐BP), 2,4‐dibromophenol (DBP) and 2,4,6‐tribromophenol (TBP). Computer simulation and multi‐spectroscopy techniques were used to investigate the interaction. The fluorescence of TTR was found to be quenched through static quenching and non‐radiative energy transfer by HPs, suggesting that the binding process between HPs and TTR was primarily influenced by van der Waals forces and hydrogen bonds. ANS substitution experiments indicated that HPs interacted with TTR at the T4 binding site. Three‐dimensional fluorescence spectra and Fourier transform infrared spectroscopy were used to investigate the conformational and microenvironmental changes of TTR resulting from the interactions with HPs. Additionally, molecular docking and reduced density gradient analysis were used to identify the specific residues and binding forces involved in the interaction between HPs and TTR binding sites. The findings were subsequently validated through quantum chemical analysis. This research integrates state‐of‐the‐art multispectral analytical methodologies with sophisticated computational modeling to introduce an innovative approach for dissecting the interactions between halogenated phenols (HPs) and transthyretin (TTR). This methodology offers a novel avenue for investigating the molecular interplay between HPs and TTR, thereby providing critical insights that are instrumental in assessing the latent toxicity of these compounds.
Enhanced Photocatalytic Degradation of Organic Dyes by Cerium‐Doped Zinc Oxide Nanocones
Authors: Vo Thi Le Na , Duong Anh Tuan , Nguyen Dinh Lam , Nguyen Tuan Hong , Nguyen Huu Tuan 
Published: August 2024

AbstractCerium‐doped zinc oxide (Ce‐ZnO) nanocones with cerium concentrations of 0, 0.5, 1, and 2 % were synthesized using a sol‐gel method. Their effectiveness as photocatalysts for degrading dyes such as Rhodamine B (RhB), Methylene Orange (MO), and Methylene Violet (MV) was evaluated. The optical and structural properties, particle size distribution, and morphology of these nanocones were examined using X‐ray diffraction (XRD), scanning electron microscopy (SEM), and ultraviolet‐visible (UV‐Vis) spectrophotometry. XRD results confirmed that the nanocones were highly crystalline with a hexagonal wurtzite structure, and a noticeable blue shift was observed in the Ce‐doped ZnO nanocones compared to pure ZnO. The photocatalytic performance under UV exposure showed that cerium doping significantly improved the degradation of RhB, MO, and MV. Notably, ZnO nanocones doped with 1 % cerium exhibited the highest photocatalytic efficiency, achieving 100 % degradation of RhB within 60 minutes. Additionally, 1 % Ce‐ZnO nanocones demonstrated degradation efficiencies of 86.3 % for MO and 74.9 % for MV within the same time frame.
Exploring the Impact of Ionic Liquids on Pyrazole Derivatives Synthesis: A Critical Review
Authors: Sharma Shubham , Sharma Pooja , Budhalakoti Bharti , Kumar Akshay , Singh Kuldeep , Kumar Kamboj Rupender , Bhatrola Kanchna 
Published: August 2024

AbstractResearchers worldwide have increasingly focused on ionic liquids (ILs) in recent decades due to their distinctive properties and wide range of uses. Researchers are working on creating novel ILs and enhancing their characteristics to broaden their use across many industries. ILs are significant due to their versatility across various applications, and their utilization should take into account aspects such as cost, toxicity, and availability. Due to their unique properties, they have been extensively used as a green catalyst system in the synthesis of pyrazole derivatives. Pyrazole derivatives is privileged scaffolds among aza‐heterocycles owing to its various applications in drug discovery and materialistic program. A big task of green chemistry in organic synthesis has been fulfilled to the organic chemists towards the formation of valuable pyrazole‐based frameworks. This review explores the diverse applications of ILs in organic synthesis, specifically highlighting literature from 2004 to 2023 on the synthesis of pyrazole and its derivatives using IL‐assisted strategies. Specifically, it covers the synthesis of substituted pyrazoles, pyrazolo‐pyrans, quinolino‐triazolo‐triazepines, pyrazolo‐pyrimidines, and pyrazolo‐quinolinones. Also, reveals a role of IL as a catalyst and solvent on the synthesis of pyrazole derivatives.
Evaluation of Novel Hydrazone‐Imide Hybrid Compound as HNE Inhibitor In Silico: Synthesis, XRD and DFT Analysis
Authors: Eryilmaz Serpil , Gul Melek , Ozek Yildirim Arzu 
Published: August 2024

AbstractInvestigation into the interactions between drugs and biomolecules can offer a precise understanding of their biological behaviours in vitro and in vivo, providing crucial insights for designing new drugs. Herein, we report the design, synthesis, and characterization of a bicyclic hydrazone derivative, along with its potential as an inhibitor of human neutrophil elastase (HNE), a critical enzyme in the treatment of acute and chronic lung injuries. We present an improved protocol for the synthesis of the compound using N‐amino‐bicyclo[2.2.1]hept‐5‐ene‐2,endo‐3‐endo‐dicarboximide and 4‐(trifluoromethyl)benzaldehyde through a facile, one‐pot, catalyst‐free synthesis in dry ethanol at reflux temperature. Within 12 hours, bicyclic‐hydrazone derivative was obtained with yields of up to 75 % and was characterized using various spectroscopic techniques and computational analyses based on the DFT approach. In silico ADME/T profile of the compound was evaluated and molecular docking simulation was utilized to predict its potential as a HNE inhibitor. The binding energy values of the THI ligand to the chosen PDB ID: 5ABW, 3Q77, and 2RG3 target proteins were determined as −8.41, −7.20, and −7.27 kcal/mol, respectively. In silico analysis findings indicate that the THI compound has promising drug‐likeness properties and has the potential to be evaluated in the development of new HNE inhibitors.
Recent Progress in Lead Free Tin‐Halide Perovskite Materials Based Solar Cells via SCAPS Based Numerical Simulation
Authors: Ahmad Khursheed , Kumar Praveen , Kim Haekyoung 
Published: August 2024

AbstractEnergy demand has dramatically increased globally, posing a serious risk of future energy crises. While various energy sources have been utilized, solar energy has emerged as the most promising renewable option, convertible to electrical energy via solar cells. Among the developed solar cells, perovskite solar cells (PSCs) have recently received significant attentions due to their simple fabrication, high performance, and cost‐effectiveness. In particular, lead (Pb) halide‐based PSCs have achieved the highest power conversion efficiency. However, despite their excellent performance, Pb halide‐based PSCs are hindered by the toxicity of Pb in their structures. Consequently, researchers have explored germanium (Ge) and tin (Sn) halide perovskite materials for the development of Pb‐free PSCs (LFPSCs). The past few years have seen rapid advancements in the numerical simulation of LFPSCs using SCAPS software. These simulation studies are crucial for developing PSCs with enhanced performance. This mini‐review article summarizes the recent progress in the simulation of tin‐based LFPSCs.
Two Different Pathways from CO2 to HCO3− in Aqueous Solutions of Arginine Sodium Salt
Authors: Umecky Tatsuya , Doi Masato , Tatsukawa Yuta 
Published: August 2024

AbstractAmino acids and their salts are amine compounds with great potential for the chemical absorption of CO2 via the amine method. The CO2 absorption properties of various amino acids and their salts have been previously reported. However, the detailed reaction mechanism of CO2 with basic amino acids in aqueous solutions has not yet been clarified. In this study, we focused on arginine (Arg), which has the highest basicity among the standard amino acids, and its monohydrochloride (ArgCl) and sodium (NaArg) salts for the dissolution of CO2 in the aqueous solutions of Arg, ArgCl, and NaArg. CO2 was chemically dissolved in aqueous Arg and NaArg solutions but not in the aqueous ArgCl solution. One‐dimensional 1H and 13C and two‐dimensional 1H‐13C heteronuclear multiple bond correlation nuclear magnetic resonance spectroscopy indicated that the final products in the aqueous Arg and NaArg solutions were protonated Arg and HCO3−. HCO3− was formed from both CO2‐bonded Arg/Arg− and CO32− intermediates in the aqueous NaArg solution but only from the CO2‐bonded Arg/Arg− intermediate in the aqueous Arg solution. In addition to their high environmental and biological compatibility, Arg and NaArg exhibit high CO2 absorption capacity, demonstrating their potential for practical use as naturally derived CO2 chemical absorbents.
Comparison of human hair cortisol concentration stability for 1‐year and 2‐year test–retest intervals
Authors: Bertrams Alex , Zäch Myriam , Minkley Nina 
Published: August 2024

AbstractHuman hair cortisol concentration (HCC) has previously been found to be highly stable for a 1‐year interval (r = 0.73) in terms of a product–moment correlation. The present study aimed to replicate this finding and compare HCC stability regarding 1‐year and 2‐year test–retest intervals. Female university students (N = 39) provided hair strands twice (t1 and t2) at intervals of 1 (n = 21) or 2 years (n = 18). Multiple regression analysis predicting HCC at t2 revealed a significant interaction term (HCC at t1 × time interval condition). It was determined that HCCs were substantially related for the 1‐year interval but unrelated for the 2‐year interval. The findings were not attributable to potential influences, such as hair treatment. The product–moment correlation showed nearly identical consistency with previous research regarding the 1‐year test–retest interval. There was no significant product–moment correlation for the 2‐year interval. Overall, these findings indicate that within a temporal framework of 1 year, HCCs may be stable predictors in correlational studies where the focus is on the rank orders of measured values.
Toward Sustainable Groundwater Management: A Comprehensive Framework for Resource Protection and Utilization
Authors: Mseli Zaina Hussein , Sankaranna Gaduputi , Mwegoha William John 
Published: August 2024

ABSTRACTThis paper presents a comprehensive framework for the sustainable management of groundwater resources in the Makutupora basin, Dodoma, Tanzania. The framework was developed through a systematic four‐phase methodology. Phase I involved a literature and document review to generate foundational insights. Phase II comprised a review of existing conceptual frameworks to identify best practices. Phase III included primary data collection through interviews, focus groups, and stakeholder surveys to understand current challenges and capacities. Phase IV involved synthesizing the findings to develop the proposed management framework. The framework includes a nested, multi‐scale structure with four hierarchical levels, overarching goals, primary management functions, specific operations, and subordinate tasks. It was informed by sustainability Principles and Intergrated Water Resources Mangagement concepts. The framework facilitates coordinated planning and implementation across relevant organizations through well‐defined roles and regular monitoring/evaluation. Key functions address resource assessment, regulatory compliance, stakeholder participation, financing, and capacity development. Validation by subject matter experts strengthened the framework's grounding in evidence and enhanced its implementation, adaptability, and long‐term sustainability. The final framework is envisioned as a dynamic decision support tool to address the complexities of groundwater utilization, protection, and conservation in an equitable, adaptive manner for current and future generations.
Can you dig it? The impact of a movable substrate “dig pit” on naked mole rat (Heterocephalus glaber) behavior and welfare
Authors: Wierzal Natasha K. , Keeley Lou , Fidino Mason , Cronin Katherine A. 
Published: August 2024

AbstractZoos are often limited by exhibit design in the opportunities they can provide animals to express natural behaviors; however, the opportunity to perform certain natural behaviors is key to supporting good animal welfare. Traditionally, in zoos, naked mole rats (Heterocephalus glaber) are housed in gunite‐lined acrylic chambers that replicate the look of their tunnel systems in the wild but don't offer the opportunity for natural digging and tunnel construction behaviors. In this study, naked mole rat behavior was evaluated when providing two different presentations of movable substrate added on to the original exhibit—a tank with loose substrate and a dig pit with hard‐packed clay. We recorded 299 5‐min focal observations with 30‐s intervals and 30 group scans to understand behavioral changes across treatments (10 days of observation per treatment). Results were analyzed using Bayesian mixed models. Digging behavior emerged in both presentations of moveable substrate. A potential indicator of negative welfare, barrier‐directed behavior, decreased when the mole rats had access to the tank of loose substrate. A potential indicator of positive welfare, exploratory behavior, increased with access to the dig pit when the mole rats had the opportunity to build tunnels. Additionally, affiliative social interactions increased, and aggressive interactions decreased with access to either presentation of movable substrate. The observed changes in colony behavior demonstrate that captive naked mole rats readily exhibited the natural behaviors of digging and tunnel building when the opportunity was presented, and the habitat modification likely improved naked mole rat welfare.