bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multi‐Threshold Analysis for Chemical Space Mapping of Ni‐Catalyzed Suzuki‐Miyaura Couplings
Authors: LeSueur Austin , Tao Nari , Doyle Abigail , Sigman Matthew 
Published: September 2024

AbstractA key challenge in synthetic chemistry is the selection of high‐performing ligands for cross‐coupling reactions. To address this challenge, this work presents a classification workflow to identify physicochemical descriptors that bin monophosphine ligands as active or inactive in Ni‐catalyzed Suzuki‐Miyaura coupling reactions. Using five previously published high‐throughput experimentation datasets for training, we found that a binary classifier using a phosphine's minimum buried volume and Boltzmann‐averaged minimum electrostatic potential is most effective at distinguishing high and low‐yielding ligands. Experimental validations are also presented. Using the two physicochemical descriptors from the binary classifier to represent the chemical space of monophosphine ligands leads to a more predictive guide for structure‐reactivity relationships compared with classic chemical space representations.
SKALP: Secure key agreement and lightweight protocol for dew‐assisted IoT enabled edge computing
Authors: Jan Saeed Ullah , Ghani Anwar , Alzahrani Abdulrahman , Tariq Muhammad Usman , Algarni Fahad , Naqvi Husnain Abbas 
Published: September 2024

AbstractThe Internet of Things (IoT) is a transformative technology that has found applications in diverse domains, including automation, logistics, grid, transportation, healthcare, and more. In these domains, IoT systems generate a significant amount of data, which can be stored in a cloud. However, cloud computing may not be practical in certain delay‐sensitive IoT applications with complex operations. To address this, fog and edge computing paradigms have been introduced, but they rely on a reliable internet connection for proper functioning. The dew computing paradigm, a novel concept, allows the execution of various applications in the IoT environment, with or without internet connectivity. However, ensuring data confidentiality and integrity during transmission and storage in such an environment remains a significant challenge. Therefore, a fail‐safe and highly effective security mechanism is yet to be proposed. This study introduces a protocol that utilizes the elliptic curve cryptography and secure hash algorithm to design a secure key agreement and lightweight protocol (SKALP). SKALP security is formally analyzed using BAN (Burrows‐Abadi‐Needham) logic, ROM (Random Oracle Model), RoR (Real‐Or‐Random) model, and ProVerif (Protocol Verifier) simulation while informally discussing it to evaluate its resistance against well‐known attacks. Additionally, the performance analysis of SKALP considers the costs associated with communication and computation. The findings from the comparative analysis indicate that the SKALP demonstrates a higher level of superiority than its competitors.
Look to the future, evaluators: Why we should incorporate futures and foresight into building and evaluating theories of change
Authors: Ruedy Liz , Clark Jessica 
Published: September 2024

AbstractThis article makes the case that the traditional construction of theories of change fails to adequately interrogate blind spots about the volatility of our current moment, or consider alternative futures. To substantiate this assertion, the authors draw from their roles as participant‐observers in developing a futures and foresight practice at Democracy Fund, a foundation focused on supporting an “inclusive, multi‐racial democracy that is open, just, resilient, and trustworthy.” The authors provide an overview of whether and how Democracy Fund's practice, which is structured around understanding how a system might respond to sources of disruption, has helped the organization prepare for significant change within a system—and develop theories of change that remain relevant. Authors discuss how the future studies and foresight methods they have used, which include scenario planning and trend‐sensing, deserve more widespread use in the evaluation community, particularly when it comes to developing and evaluating theories of change.
Effect of sodium bicarbonate with ultrasound on reduced‐salt Chaozhou beef meatballs quality: Physicochemical and sensory properties
Authors: You Qian , Mao Runxiang , Yuan Yukun , Zhang Ling , Tian Xingguo , Xu Xiaoyan 
Published: September 2024

AbstractThis study aimed to create a reduced‐salt version of Chaozhou beef meatballs (CBMs) by employing ultrasound treatment (0 and 30 min) combined with sodium bicarbonate (0%, 0.15%, and 0.3%). The ultrasound‐assisted sodium bicarbonate treatment significantly enhanced pH, salt‐soluble protein solubility (SSP), water‐holding capacity (WHC), and storage modulus (G′) of the CBMs (p < 0.05). Specifically, after treatment, the increase in pH value promoted the solubilization of SSP, with the content increasing from 28.23% to 56.53%. Moreover, the initial relaxation times (T21 and T22) were shortened, indicating a decrease in water mobility, as evidenced by an increase in WHC from 85% to 87%. Furthermore, the ultrasound treatment effectively facilitated protein unfolding, increased β‐sheet secondary structure content, augmented hydrogen and disulfide bond proportions, and resulted in a denser and more uniform gel structure. Consequently, the hardness of the CBMs was significantly improved (p < 0.05). Sensory evaluation revealed that the treated reduced‐salt CBMs were comparable to those produced by conventional methods. Therefore, combining sodium bicarbonate with ultrasound treatment is a viable approach to mitigate the negative effects of reduced salt content and produce high‐quality reduced‐salt CBMs.
Detection of adulteration in Iranian grape molasses added glucose/fructose/sugar beet syrups with 13C/12C isotope ratio analysis method
Authors: Jamali Vahid , Emamifar Aryou , Beiginejad Hadi , Moradi Mohammad , Rasouli Mousa 
Published: September 2024

AbstractGrape molasses (GM), produced from grapes, is a traditional Iranian food and is widely consumed in Iran. However, GM adulteration is among the most widespread illegitimate procedures involving contamination of food with foreign materials, such as adding sugar–water solution, date syrup, sugar beet syrup, and grape sauce. This study used stable carbon 13C/12C isotope ratio analysis method to detect adulteration of GM samples with glucose syrups (GS), fructose syrups (FS), and beet sugar syrups (BS) at the ratio of 0%, 10%, 30%, and 50% (by weight). Physicochemical properties of GM including °Brix, conductivity, specific gravity, pH, moisture content, ash content, hydroxymethyl furfural, sugar content, and rheological properties of samples were investigated. The δ13C isotope ratio of the GM was determined as −26.61%, that of the GS as −13.23%, that of the FS as −13.42%, and that of the BS as −16.58%. The δ13C isotope ratio increased by the addition of adulterant syrups to GM. The addition of each adulterant syrup had a different effect on the physicochemical parameters; however, the °Brix and specific gravity had a positive correlation with the δ13C isotope ratio results. The magnitudes of G' and G" increase with an increase in frequency representing the viscoelastic behavior of samples. The obtained results of this study suggest the use of δ13C isotope ratio method as a fast and accurate method to investigate the adulteration of grape molasses.
Effects of heat treatment and ultraviolet radiation on physicochemical, microbiological, and bioactive properties of shalgam juice
Authors: Erol Kubra Feyza , Kutlu Gozde , Baslar Mehmet , Tornuk Fatih 
Published: September 2024

AbstractHerein, we aimed to investigate the physicochemical, bioactive, microbial, and sensory properties of 5 different ultraviolet (UV) treatment conditions, varying in flow rate (1.5–2.5–3.5 L/min), temperature (5–25°C), and UV‐intensities (5.1–10.1 mW/cm2), along with heat treatment (HT, 72°C for 20 s), and untreated samples (C) over a storage period of 150 days. At the beginning of storage, the samples exhibited a dry matter content ranging from 2.15% to 2.38%, pH levels ranging from 3.46 to 3.53, and total acidity between 6.35 and 6.51 mg/L. L* values were recorded between 33.09 and 33.50, while ΔC values ranged from 9.13 to 9.24. However, by the end of storage, these values had changed to 2.28–2.43% for dry matter, 3.47–3.49 for pH, 6.22–6.35 mg/L for acidity, 34.94–35.57 for L* values, and 6.95–7.01 for ΔC values. Throughout storage, total mesophilic aerobic bacteria (TMAB), lactic acid bacteria (LAB), and yeast and molds were measured at the highest levels in the C samples when compared to HT and UV‐treated samples. At the end of storage, compared to the initial values, TMAB levels in UV‐treated samples decreased from 3.29–4.80 log cfu/mL to 3.13–3.92 log cfu/mL. On the other hand, compared to the initial values (3.29–4.01 log cfu/mL), LAB levels decreased by 1.93–2.42 log cfu/mL by the end of storage. Initially, in UV‐treated samples, the TPC (total phenolic content) ranged from 398.15 to 403.86 mg GAE/g, DPPH antioxidant activity ranged from 811.52 to 834.89 mg TE/L, and TAC (total anthocyanin content) ranged from 5.58 to 5.74 mg/L. By the end of storage, an increase was observed in all bioactive properties analyzed. Furthermore, UV treatment positively impacted the bioaccessibility of bioactive compounds compared to the HT‐treated sample. Overall, this study confirms that UV‐C technology can be used as an alternative method for extending the shelf life of shalgam juice while preserving its sensory and bioactive attributes.
Comprehensive Analyses of Somatic Copy Number Alterations and Mutations Based on the Adenoma–Carcinoma Sequence
Authors: Sugai Tamotsu , Osakabe Mitsumasa , Uesugi Noriyuki , Habano Wataru , Yanagawa Naoki , Suzuki Hiromu 
Published: September 2024

ABSTRACTAimsIdentifying molecular alterations in the adenoma and carcinoma components within the same tumor would greatly contribute to understanding the neoplastic progression of early colorectal cancer.Methods and ResultsWe examined somatic copy number alterations (SCNAs) and mutations involved in the adenoma and carcinoma components obtained from the same tumor in 46 cases of microsatellite‐stable carcinoma in adenoma, using a genome‐wide SNP array and gene mutation panel. In addition, we also performed hierarchical clustering to determine the SCNA frequencies in the tumors, resulting in stratification of the samples into two subgroups according to SCNA frequency. Subgroup 1 was characterized by multiple SCNAs and carcinoma components exclusively, while Subgroup 2 was characterized by a low frequency of SCNAs and both the adenoma and carcinoma components. The numbers of total genes and genes with gains were higher in the carcinoma than adenoma components. The three most frequent gains in both components were located at 1p36.33–1q44, 2p25.3–2q37.3, and 3p26.3–3q29. However, no candidate genes mapped to these regions. APC and KRAS mutations were common in both components, whereas the frequency of TP53 mutations was statistically higher in the carcinoma than adenoma component. However, TP53 mutations were not correlated with SCNA frequency.ConclusionsWe suggest that considerable SCNAs and TP53 mutations are required for progression from adenoma to carcinoma within the same intramucosal neoplastic lesion.
Task‐specific topology of brain networks supporting working memory and inhibition
Authors: Adamovich Timofey , Ismatullina Victoria , Chipeeva Nadezhda , Zakharov Ilya , Feklicheva Inna , Malykh Sergey 
Published: September 2024

AbstractNetwork neuroscience explores the brain's connectome, demonstrating that dynamic neural networks support cognitive functions. This study investigates how distinct cognitive abilities—working memory and cognitive inhibitory control—are supported by unique brain network configurations constructed by estimating whole‐brain networks using mutual information. The study involved 195 participants who completed the Sternberg Item Recognition task and Flanker tasks while undergoing electroencephalography recording. A mixed‐effects linear model analyzed the influence of network metrics on cognitive performance, considering individual differences and task‐specific dynamics. The findings indicate that working memory and cognitive inhibitory control are associated with different network attributes, with working memory relying on distributed networks and cognitive inhibitory control on more segregated ones. Our analysis suggests that both strong and weak connections contribute to cognitive processes, with weak connections potentially leading to a more stable and support networks of memory and cognitive inhibitory control. The findings indirectly support the network neuroscience theory of intelligence, suggesting different functional topology of networks inherent to various cognitive functions. Nevertheless, we propose that understanding individual variations in cognitive abilities requires recognizing both shared and unique processes within the brain's network dynamics.
Identifying data elements and key features to design a telerehabilitation system for speech and language disorders in children with hearing impairments in Iran: A cross‐sectional study
Authors: Ebrahimi Saeid , Zakerabbasali Somayeh , Oryadi Majid , Maryam Vahab  , Mahmoudzadeh‐Sagheb Zahra 
Published: September 2024

AbstractBackground and AimsDesigning and implementing telerehabilitation systems would require the identification of data elements to meet disabled people's needs. An in‐depth study on the identification and validation of data elements can help design and implement telerehabilitation systems successfully. Therefore, this study aimed to identify and validate data elements to design a telerehabilitation system for the speech and language disorders of hearing‐impaired children in Iran.MethodsThis descriptive cross‐sectional study was conducted in three steps including literature review, focused group discussion, and Delphi technique implementation to extract and validate data elements. In the first step, the literature on electronic databases was reviewed to extract the data elements of telerehabilitation systems, and nine studies were selected based on the inclusion criteria. In the second step, a focused group discussion was held to review and classify the extracted data elements. Finally, the Delphi technique was employed to validate the drafted data elements.ResultsIn total, 352 data elements were extracted from the literature review. Finally, 102 data elements in 10 categories (Demographic and Clinical information of the disabled person, Clinical history, Demographic information of the provider, Customization of exercises, Reminders, Online and offline counseling, and training, Reporting, Key features of the system, Evaluation of the progress of the disabled person) were classified and validated by experts as essential data elements to design a telerehabilitation system for the speech and language disorders of hearing‐impaired children.ConclusionsThe necessary data elements were proposed as the foundations to design a telerehabilitation system for the speech and language disorders of hearing‐impaired children. These data elements help design and implement telerehabilitation systems successfully so that such systems can easily be provided for children with hearing disabilities.
Rayleigh waves in nonlocal orthotropic thermoelastic medium with diffusion
Authors: Mallick Abhishek , Biswas Siddhartha 
Published: September 2024

AbstractThis study examines Rayleigh wave propagation dynamics in a nonlocal orthotropic medium with thermoelastic diffusion, utilizing Eringen's nonlocal elasticity theory and the Lord–Shulman hyperbolic thermoelasticity model. Normal mode analysis is used to solve the problem, deriving the frequency equation for Rayleigh waves and analyzing specific cases. The elliptical path of surface particles and its eccentricity are calculated. Graphs illustrate the relationships of propagation speed, attenuation coefficient, penetration depth, and specific loss of Rayleigh waves concerning wave number for both thermally insulated and isothermal surfaces. The results reveal that the presence of nonlocal parameters and diffusion significantly increases the values of physical variables, especially with higher wave numbers, highlighting their considerable impact on the system's dynamics.
Enhancement of heat dissipation rate of a heat sink with perforated fins using CFD and Swarm Intelligence
Authors: Maji Ambarish , Deshamukhya Tuhin , Choubey Gautam 
Published: September 2024

AbstractThis study aims to enhance heat dissipation in a heat sink by using perforated pin fins. The research specifically explores circular pin fins with circular perforations that taper from one end to the other. Through three‐dimensional computational fluid dynamics (CFD) simulations, the study evaluates the impact of tapered perforations on heat dissipation, performance, and pressure loss in circular fins. The results indicate that fins with perforations consistently achieve higher heat dissipation rates compared to solid fins, up to certain perforation sizes and numbers. Notably, fins with tapering in perforations, where the inner and outer diameters are 4 and 5 mm, respectively, exhibit the highest system performance, with a maximum increase of 6.1% over fins without tapering. Additionally, two advanced swarm intelligence algorithms, Particle Swarm Optimization (PSO) and Teaching Learning Based Algorithm (TLBO), were employed to assess the performance of heat sinks with both converging and diverging tapered perforations. The optimized results from TLBO were compared with those from PSO for validation. An intriguing discovery of this research is that fins with converging perforations achieve the highest system performance, followed by fins without tapering, and then fins with diverging perforations.
Message framing to enhance consumer compliance with disease detection communication for prevention: The moderating role of age
Authors: Pang Yuting , Wang Lili , Chen Fangyuan 
Published: September 2024

AbstractDisease detection is critical throughout the consumer lifecycle. Effective communication not only influences consumers' motivation to participate in disease detection but also has a significant impact on prevention outcomes. While previous literature has examined the effectiveness of the gain frame versus the loss frame in motivating detection behaviors, existing studies have produced mixed results, with the underlying psychological process remaining unclear. The present research sheds light on these issues by examining the moderating role of age. Across four experiments, we demonstrate the interactive effects of age and message framing on the effectiveness of health communication advocating disease detection for prevention. We find that as age increases, gain‐framed disease detection appeals become more persuasive than loss‐framed appeals, and that information diagnosticity is one psychological mechanism driving this effect. This research contributes to the literature on framing effects, age differences in information processing, and health compliance persuasion. Our findings also provide insights into how to engage consumers of different ages in disease detection and subsequently enable better prevention and intervention.
Current trends and patterns of PFAS in agroecosystems and environment: A review
Authors: Verley Jackson C. , McLennon Everald , Rein Kathleen S. , Dikgang Johane , Kankarla Vanaja 
Published: September 2024

AbstractPer‐ and polyfluoroalkyl substances (PFASs) are one of the more well‐known highly persistent organic pollutants with potential risks to agroecological systems. These compounds are of global concern due to their persistence and mobility, and they often lead to serious impacts on environmental, agricultural, and human health. In the past 20 years, the number of science publications on PFAS has risen; despite this, certain fundamental questions about PFAS occurrence, sources, mechanism of transport, and impacts on agroecosystems and the societies dependent on them are still open and evolving. There is a lack of systematic and comprehensive analysis of these concerns in agroecosystems. Therefore, we reviewed the current literature on PFAS with a focus on agroecosystems; our review suggests that PFASs are nearly ubiquitous in agricultural systems. We found the current research has limitations in analyzing PFAS in complex matrices because of their small size, distribution, and persistence within various environmental systems. There is consistency in the properties and composition of PFAS in and around agroecosystems, suggesting evidence of shared sources and similar components within different tropic levels. The introduction of new and varied sources of PFAS appear to be growing, adding to their residual accumulation in environmental matrices and leading to possible new types of chemical compounds that are difficult to assess accurately. This review determines existing research trends, understands mechanisms and incidence of PFAS within agroecosystems and their impact on human health, and thereby recommends further studies to remedy research gaps.
On a Norine–Thomas conjecture concerning minimal bricks
Authors: Feng Xing 
Published: September 2024

AbstractA 3‐connected graph is a brick if has a perfect matching, for each pair of vertices of . A brick is minimal if ceases to be a brick for every edge . Norine and Thomas proved that each minimal brick contains at least three vertices of degree three and made a stronger conjecture: there exists such that every minimal brick has at least cubic vertices. In this paper, we prove this conjecture holds for all minimal bricks of an average degree no less than 23/5. As its corollary, we show that each minimal brick on vertices contains more than vertices of degree at most four.
Synthesis of Benzofuran‐Based Hybrid Molecules: Molecular Docking and Antibacterial Activity Against Pseudomonas aeruginosa
Authors: Cortés‐García Carlos J. , Mercado‐Madrigal Aidme I. , Alejandre‐Castañeda Viridiana , Patiño‐Medina Jose Alberto , Castro‐Velázquez Verónica , Rodríguez‐González Vicente , Ramírez‐Díaz Martha Isela , Islas‐Jácome Alejandro , Rincón‐Guevara Mónica A. , Chacón‐García Luis , Meza‐Carmen Victor , Díaz‐Cervantes Erik 
Published: September 2024

ABSTRACTA rapid and efficient protocol for synthesizing two series of benzofuran‐based hybrid polyheterocycles is presented: benzofuran‐isatin and benzofuran N‐acylhydrazones, and evaluation of their antibacterial activity both in vitro and in silico against two strains of Pseudomonas aeruginosa, PAO1 and PA14 were determined. Six of the tested compounds were shown to be active against the hypervirulent strain PA14. Docking studies were conducted using RNA polymerase sigmaS protein for P. aeruginosa PAO1 and PqsE protein for P. aeruginosa PA14 to provide additional insights into these results. A pharmacophore model was computed to suggest potential structural derivatives on the target molecules, offering further insights for future research. Finally, 40 novel compounds, including intermediates, were synthesized in a three‐step reaction.
Electromagnetic forces and their finite element computation
Authors: Henrotte François , Geuzaine Christophe 
Published: September 2024

AbstractThis paper introduces the concepts of differential geometry that are necessary to establish a systematic definition for electromagnetic forces by means of a natural thermodynamic approach. It is shown that standard electromagnetic force formulae used in finite element computational electromagnetism are particular instances of that general approach. Finally, the paper offers a complete conceptual framework, as well as a mathematical toolbox, to derive electromagnetic force formulae for multi‐physics finite element models with complex materials.