bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular Balances as Physical Organic Chemistry Tools to Quantify Non‐Covalent Interactions
Authors: Petroselli Manuel , Ballester Pablo
Published: January 2025

Non‐covalent interactions are present in numerous synthetic and biological systems, playing an essential role in vital life processes, such as the stabilization of proteins’ structures or reversible binding in substrate‐receptor complexes. Their study is relevant but faces challenges due to its inherent weak nature. In this context, molecular balances (MBs) are one of the most efficient physical organic chemistry tools to quantify non‐covalent interactions, bringing beneficial knowledge regarding their nature and strength. Herein, we report an overview and critical discussion of recent studies related to various MBs in the quantification of a collection of non‐covalent interactions, covering from the well‐known aryl • • • aryl and CH • • • aryl interaction to the newest fullerene • • • aryl and chalcogen • • • chalcogen interactions.
Olaparib as treatment for platinum‐sensitive relapsed ovarian cancer by BRCA mutation and homologous recombination deficiency: Phase 2 LIGHT study final overall survival analysis
Authors: Liu Ying L. , Mathews Cara A. , Simpkins Fiona , Cadoo Karen A. , Provencher Diane , McCormick Colleen C. , ElNaggar Adam C. , Altman Alon D. , Gilbert Lucy , Black Destin , Kabil Nashwa , Taylor Rosie N. , Barnicle Alan , Munley Jiefen Y. , Aghajanian Carol
Published: January 2025

Background

LIGHT (oLaparib In HRD‐Grouped Tumor types; NCT02983799) prospectively evaluated olaparib treatment in patients with platinum‐sensitive relapsed ovarian cancer (PSROC) assigned to cohorts by known BRCA mutation (BRCAm) and homologous recombination deficiency (HRD) status: germline BRCAm (gBRCAm), somatic BRCAm (sBRCAm), HRD‐positive non‐BRCAm, and HRD‐negative. At the primary analysis, olaparib treatment demonstrated activity across all cohorts, with greatest efficacy in terms of objective response rate and progression‐free survival observed in the g/sBRCAm cohorts. The authors report final overall survival (OS).

Methods

In this phase 2, open‐label, noncomparative study, patients with PSROC and one or more prior line of platinum‐based chemotherapy were assigned to cohorts by BRCAm and HRD status. OS was a secondary end point. Tumors were analyzed using Myriad BRACAnalysis CDx and MyChoice CDx assays; HRD‐positive tumors were defined using a genomic instability score of ≥42.

Results

Of 272 enrolled patients, 271 received olaparib and 270 met the inclusion criteria for the efficacy analysis. At data cutoff, 18‐month OS rates in the gBRCAm, sBRCAm, HRD‐positive non‐BRCAm, and HRD‐negative cohorts were 86.4%, 88.0%, 78.6%, and 59.6%, respectively. No new safety signals were observed. In a post hoc analysis, patients on treatment for >18 months were most frequently present in g/sBRCAm cohorts (31.0%).

Conclusions

Olaparib treatment continued to demonstrate benefit across all cohorts. Consistent with the primary analysis, the highest OS rates were observed in the BRCAm cohorts, regardless of g/sBRCAm. In patients without a BRCAm, a higher OS rate was observed in the HRD‐positive non‐BRCAm than the HRD‐negative cohorts. These results highlight the importance of biomarker testing in this treatment setting.
High Throughput Mutational Scanning of a Protein via Alchemistry on a High‐Performance Computing Resource
Authors: Guclu Tandac F. , Tayhan Busra , Cetin Ebru , Atilgan Ali Rana , Atilgan Canan
Published: January 2025

Antibiotic resistance presents a significant challenge to public health, as bacteria can develop resistance to antibiotics through random mutations during their life cycles, making the drugs ineffective. Understanding how these mutations contribute to drug resistance at the molecular level is crucial for designing new treatment approaches. Recent advancements in molecular biology tools have made it possible to conduct comprehensive analyses of protein mutations. Computational methods for assessing molecular fitness, such as binding energies, are not as precise as experimental techniques like deep mutational scanning. Although full atomistic alchemical free energy calculations offer the necessary precision, they are seldom used to assess high throughput data as they require significantly more computational resources. We generated a computational library using deep mutational scanning for dihydrofolate reductase (DHFR), a protein commonly studied in antibiotic resistance research. Due to resource limitations, we analyzed 33 out of 159 positions, identifying 16 single amino acid replacements. Calculations were conducted for DHFR in its drug‐free state and in the presence of two different inhibitors. We demonstrate the feasibility of such calculations, made possible due to the enhancements in computational resources and their optimized use.
Simultaneous Ring‐Opening and Dehydrogenation of Diarylethene Induced by Tunneling Electrons
Authors: Sato Hirokazu , Lee Taehwan , Lee Minhui , Kazuma Emiko , Kim Yousoo , Jung Jaehoon , Ko Kyoung Chul , Shimizu Tomoko K.
Published: January 2025

Understanding the reversible transformation between two isomeric states of organic molecules under external stimulation is essential for advancing single‐molecule device development. Photochromic diarylethene (DAE) derivatives are promising candidates for single molecular switching elements. This study investigates the single‐molecule reactions of the closed‐form isomer of a DAE derivative on Cu(111) using scanning tunneling microscopy (STM). A novel ring‐opening pathway, distinct from the well‐known photochromic isomerization, was discovered. Electron injection into the lowest unoccupied molecular orbitals induces the sequential anchoring of molecules to the substrate through the dehydrogenation of a methyl group at the 2‐position of the thiophene ring. This mechanism was revealed by density functional theory calculations and STM simulations. The adsorption configurations for singly and doubly dehydrogenated DAEs were identified. Based on these findings, a new reaction mechanism extending beyond reversible isomeric reactions is proposed for DAE on Cu(111). The present work establishes a novel framework for future studies on single‐molecule switching phenomena on metal substrates.
Preparative Isolation of N‐glycans from Natural Sources Mediated by a Deglycosylating Heterogeneous Biocatalyst in Flow
Authors: Serna Sonia , Comino Natalia , Reichardt Niels C. , López-Gallego Fernando
Published: January 2025

EEfficient methods for isolating N‐glycans are essential to understanding the functions and characteristics of the entire N‐glycome. Enzymatic release using PNGaseF is the most effective approach for releasing mammalian N‐glycans for analytical purposes. However, the use of PNGaseF for preparative N‐glycan isolation is precluded due to the enzyme's cost and limited stability. In this work, we develop a PNGaseF heterogeneous biocatalyst for the preparative isolation of N‐glycans from natural sources. By controlling the immobilization conditions, 100‐85% of offered PNGaseF is immobilized on aldehyde‐functionalized agarose porous microbeads through distinct protein orientations, achieving different performances. The enzyme orientation through the N‐terminus provides the best activity/operational stability balance, being 20% more efficient than that randomly oriented. This active and stable heterogeneous biocatalyst eases its application in a packed bed reactor (PBR) for continuous release of free N‐glycans from a model glycoprotein. This  PBR processes 1g of ovalbumin from chicken egg white to isolate 95% of its N‐glycans upon operating the PBR for 7 days. Finally, by tuning the flow rate, we can control the profile of N‐glycans isolated due to different enzyme kinetics for the deglycosylation reactions. In‐line methodologies to isolate N‐glycans open new paths for more sustainable protocols to prepare relevant glycans.
Usefulness and safety of remimazolam in upper gastrointestinal endoscopy: A comparative study between elderly and non‐elderly patients
Authors: Ichijima Ryoji , Ikehara Hisatomo , Yamaguchi Daisuke , Nagata Yasuhiko , Ogura Kanako , Esaki Mitsuru , Minoda Yosuke , Ono Hiroyuki , Maeda Yuki , Kiriyama Shinsuke , Sumiyoshi Tetsuya , Kanmura Yuichi
Published: January 2025

Objectives

In gastroenterology, sedation demand is increasing, although elderly patients are more prone to experiencing adverse events. Remimazolam, a novel ultra‐short‐acting benzodiazepine, may reduce recovery time after endoscopic procedures.

Methods

This study was a secondary analysis of the investigator‐initiated trial, which investigated the efficacy and safety of remimazolam in gastrointestinal endoscopy (REM‐IICT JP01). Remimazolam sedation was administered during upper gastrointestinal endoscopy. Patients were divided into two groups: 45 non‐elderly and 11 elderly patients (aged ≥65 years). The primary outcome was sedation success. Secondary outcomes included the dose required for sedation, time to awakening, time to regain the ability to walk, and occurrence of adverse events.

Results

Endoscopic sedation was successful in 95.6% of the non‐elderly group and 100% of the elderly group. The total dose of remimazolam was significantly higher in the non‐elderly group (4.0 [3.0–8.0] mg) than in the elderly group (3.0 [2.0–3.0] mg; p < 0.01). The time to awakening was 0.0 (0.0–10.0) min in the non‐elderly group compared to 0.0 (0.0–30.0) min (p = 0.98) in the elderly group. The time to regain the ability to walk was significantly longer in the elderly group (5.0 [0.0–60.0] min) than in the non‐elderly group (5.0 [0.0–30.0] min; p = 0.03). During the procedure, adverse events included hypotension in two cases (4.4%) in the non‐elderly group and hypoxemia in one case (9.0%) in the elderly group.

Conclusions

Upper gastrointestinal endoscopy with remimazolam was effective and safe, regardless of age.
Endoscopic incisional balloon dilation combined with anti‐scarring agents for postoperative esophageal anastomotic strictures
Authors: Kumagai Ken , Takada Yutaka , Sugimoto Ayaka , Sakagami Shinjiro , Akioka Yuri , Mitani Rie , Oshima Akihiro , Kitade Masayuki , Oshiro Manami , Katsuyama Sonoka , Ota Shogo , Adachi Kanna , Shimada Yukari , Hayashi Motohito , Itami Atsushi , Itani Toshinao
Published: January 2025

The management of locally advanced esophageal cancer typically involves esophagectomy; however, postoperative complications, particularly anastomotic stricture, remain prevalent. Anastomotic stricture can severely compromise patients' quality of life by leading to difficulties in food intake. Although endoscopic balloon dilation has become a standard treatment for gastrointestinal strictures, its efficacy is often limited due to the risk of perforation and the potential for recurrent stricture, necessitating multiple interventions. Recent advancements have introduced endoscopic radial incision and cutting methods, which aim to enhance patency by excising scar tissue. We experienced a case resistant to the radial incision and cutting therapy, necessitating further intervention strategies. This report details our experience utilizing a novel technique, endoscopic incisional balloon dilation, which combines endoscopic incisional technique and balloon dilation therapy with anti‐scarring medications, in cases of refractory anastomotic strictures following esophageal cancer resection. We present three challenging cases in which endoscopic incisional balloon dilation yielded significant clinical improvements, alongside supportive literature. Our findings suggest that endoscopic incisional balloon dilation is an effective and safer alternative to conventional methods, capable of addressing complex stricture scenarios while potentially enhancing patient outcomes and quality of life.
Optimization of Wetland Environmental DNA Metabarcoding Protocols for Great Lakes Region Herpetofauna
Authors: Ruppert Olivia M. , Homola Jared J. , Kanefsky Jeannette , Swinehart Alyssa , Scribner Kim T. , Robinson John D.
Published: January 2025

Many species of reptiles and amphibians (herpetofauna) rely on wetlands that are being degraded and lost at a high rate. Characterization of herpetofauna diversity in different wetland types may help guide conservation strategies. However, traditional survey methods often involve sampling within small temporal windows, and the gear deployed may be taxonomically biased, thus, they may fail to accurately characterize species presence/absence and diversity. In contrast, environmental (e)DNA metabarcoding has been shown to effectively survey entire aquatic communities and can provide a useful complement to traditional surveys. The objective of this study was to design and optimize eDNA sampling and laboratory protocols for wetland herpetofauna. Protocols evaluated included different water sampling approaches (point versus transect sampling), seasonality of sampling, and choice of metabarcoding marker (mitochondrial 12S versus 16S rDNA). Samples collected from 10 sites across southern Michigan detected 17 amphibian and five reptile species, including four species of conservation concern (Ambystoma texanum, Clemmys guttata, Rana palustris, and Sternotherus odoratus). We observed no difference in the number of species detected between point and transect samples (p = 0.70), but point sampling required less time (p = 0.03) and allowed significantly larger volumes of water to be filtered (p = 1.13e‐5). No difference in species richness was observed between the 12S and 16S mitochondrial DNA markers (p = 0.96). However, a greater number of taxa were identifiable at the species level when using the 16S locus. There was also a significant difference in the number of species detected between early and late summer sampling periods (more species detected in the earlier period; p = 6.31e‐6), and some species were only found in the early or late sampling period. Sampling during multiple periods to fully characterize species composition, the use of point sampling, and the 16S mtDNA marker for herpetofauna eDNA metabarcoding studies may increase efficiency and reliability of results.
The Efficacy of Lubiprostone in Patients of Constipation: An Updated Systematic Review and Meta‐Analysis
Authors: Akram Umar , Rehman Obaid Ur , Fatima Eeshal , Nadeem Zain Ali , Usman Omer , Rasheed Waqas , Ali Ramsha , Rehman Khawaja Abdul , Nashwan Abdulqadir J.
Published: January 2025

Background and Aim

Lubiprostone increases chloride and water secretion in the intestines, and several studies have demonstrated the efficacy of lubiprostone in treating functional constipation. Several new clinical trials have emerged since the previous meta‐analysis conducted in 2020. We conducted this updated meta‐analysis to assess clinical efficacy of lubiprostone in these patients.

Methods

A systematic search was conducted on MEDLINE, Cochrane, and Scopus. Randomized controlled trials published between July 2019 and June 2024 were selected. Cochrane's RoB 2 tool was used to assess the risk of bias. A meta‐analysis was performed and findings were presented using forest plots.

Results

A total of 14 studies, comprising 4550 patients, were included in the review. Only 12 studies were pooled in the meta‐analysis. Lubiprostone was associated with greater spontaneous bowel movements (SBM) per week (RR 1.454, 95% CI 1.193–1.771) and SBM within 24 h (RR 1.790, 95% CI 1.491–2.150) in patients with chronic idiopathic constipation (CIC). However, it was not associated with abdominal pain in either arm (RR 1.415, 95% CI 0.873–2.294). In opioid‐induced constipation (OIC), lubiprostone increased SBM within 24 h (RR 1.277, 95% CI 1.105–1.475) but did not significantly affect abdominal pain (RR 4.321, 95% CI 0.624–29.941). Lubiprostone improved all selected SBM‐related and abdominal pain outcomes in patients with irritable bowel syndrome with constipation (IBS‐C).

Conclusion

Lubiprostone significantly improves all SBM‐related outcomes. Owing to its good safety and efficacy profile, lubiprostone can be used in the combination regimens for management of CIC, IBS‐C, and OIC.
A Novel Approach to the Isolation of Disease Markers: Quantitative Analysis of Amino Acids in Exhaled Breath Condensates from Sleep Apnea Patients with Enhanced Sampling and LC‐ESI‐MS
Authors: Kaliszewska Anna , Struczyński Piotr , Kwiatkowska Sylwia , Nowak Daruisz , Bączek Tomasz , Konieczna Lucyna
Published: January 2025

Interest in obstructive sleep apnea is rising due to its neurocognitive and cardiovascular impacts, including systemic hypertension, myocardial infarction, and cerebrovascular events. Obstructive sleep apnea diagnosis can be suggested through symptoms like snoring, daytime sleepiness, and physical signs like increased neck circumference; however, overnight polysomnography is recommended to confirm. Exhaled breath condensate has emerged as a novel, noninvasive technique for biomarker sample collection. It is simple, rapid, repeatable, and suitable for young children and severely ill patients. A direct method using liquid chromatography–mass spectrometry coupled with hydrophilic interaction chromatography was established for quantitative analysis of amino acids in human exhaled breath condensate samples. The separation was performed using XBridge Amide BEH column and a mobile phase of ammonium formate buffer in gradient conditions. The method exhibited a low detection limit (0.08–1.28 ng/mL), good linearity (R2 between 0.9909 and 0.9987), and high recoveries (93–101.3%) for 21 studied amino acids with interday RSD of 2.1–7.7%. The LC‐MS method was verified and applied to determine amino acids in exhaled breath condensate samples from obstructive sleep apnea patients, offering fast, reliable analysis without derivatization as a noninvasive alternative to standard methods.
Characterization of Moroccan Raw and Modified Clay and Its Application in Removal of Methyl Orange Dye
Authors: Mansouri Amal , Aghazzaf Ahmed Ait , Draoui Khalid
Published: January 2025

In this work, we study the characterization of raw clay extracted from Jbel Lahbib Region of Tetouan in the north of Morocco, and organo‐modified clay by a cationic surfactant hexadecyltrimethylammonium bromide (CJL + HDTMA). In addition, we evaluate their potential to remove organic pollutants (methyl orange, MO) in aqueous solutions by means of the absorption techniques. All samples were characterized by XRD, FTIR, SEM‐EDAX, TGA, BET, and zeta potential. The XRD results show that the principal peak d001 moved from to  Åfor the modified clay, the specific surface area of the raw and modified clay is 68.28 and 1.47 m2/g, respectively. Furthermore, these results confirm the success of this modification. With raw clay extracted from Jbel Lehbib (CJL), the maximum adsorption capacity of MO is pH‐dependent. Consequently, the MO adsorption is favored in the high acidic pH range. The adsorption kinetics of MO on both clays revealed that the equilibrium is rapidly obtained. Moreover, it is shown that the experimental data for MO adsorption on the two materials best fit the pseudo‐second‐order kinetic model. The adsorption isotherms indicate that the Sips and Temkin models correctly describe the adsorption of MO on the raw with experimental maximum adsorption value of 40.9 and 66.65 mg/g for raw and modified (CJL), respectively. The energy obtained from D‐R model (6.9 KJ/mol for raw clay and 12.86 KJ/mol for modified clay) suggested that process is dominated by physisorption for raw clay and chemisorption for modified clay. Besides, the thermodynamic study revealed that MO adsorption by crude clay is exothermic ( KJ/mol), physical, and spontaneous.
Is Concrete Framing More Effective in Enticing Donations? The Impacts of Donation Requests and Identified Beneficiary on the Effectiveness of Concrete Framing
Authors: Zhang Yingyang
Published: January 2025

Previous research has shown that concrete‐framed fundraising goals are more effective at eliciting donations. This study extends these findings by exploring the boundaries of the concrete framing effect. Across three experiments, our results indicate that concrete framing positively influences donations by enhancing message elaboration, which in turn increases empathy and, consequently, willingness to donate. However, the impact of this framing is moderated by the size of the donation request and the identification of the beneficiary. These findings provide valuable insights for charities and nonprofits on how to craft fundraising messages that maximize cognitive and emotional engagement with potential donors.
Simultaneous Determination of Tylosin Tartrate and Tylvalosin Tartrate in Wastewater by the Solid‐Phase Extraction and High‐Performance Liquid Chromatography–Diode Array Detector Method
Authors: Chai Ruina , Cheng Jianguo , Zhang Shuheng , Ma Litong , Duan Jianguo , Zhao Wenyuan , Wang Xiaoxia , Fang Chen
Published: January 2025

Tylosin tartrate (TYL) and tylvalosin tartrate (TAT) are widely used veterinary antibiotics, the presence of which in untreated wastewater poses environmental and health risks. This study established a method to simultaneously quantify TYL and TAT in wastewater using solid‐phase extraction and high‐performance liquid chromatography–diode array detector (SPE/HPLC–DAD). The method was evaluated for sample pretreatment and HPLC–DAD parameters to ensure specificity, linearity, recovery, and precision. The evaluated method was subsequently applied to determine the concentration of veterinary antibiotics in actual pharmaceutical wastewater. The detected concentrations were 2.59 mg/L for TYL and 4.37 mg/L for TAT. Recoveries for TYL and TAT at three spiked levels (1, 10, and 100 mg/L) ranged from 74.28% to 97.28%, with the relative standard deviation (RSD) of less than 8.78%. This rapid and accurate method is effective for monitoring antibiotic discharge, aiding in environmental protection.
Exploring Perceived Usefulness of Using Autonomous Trucks in Logistics
Authors: Zhang Y. , Haddud A.
Published: January 2025

Historically, the U.S. Gulf Coast region carries more burdens than other communities, including generated air pollution, delays and crashes, and frequent floods. Thus, there is a strong need to improve the efficiency of freight transportation and reduce environmental impacts by using emerging technologies. This study aims to explore the perceived usefulness of using Autonomous Trucks in logistics in Florida, Louisiana, Mississippi, and Texas in the U.S. Gulf Coast region. Data were collected using an online survey from 72 members of the Trucking Associations in the U.S. states of Florida, Louisiana, Mississippi, and Texas. The participants' perceptions were captured using 14 pre‐determined perceived usefulness on a five‐point level of agreement. A Likert scale was developed based on the Technology Acceptance Model (TAM). Data were analyzed using the IBM SPSS Statistics Software—Version 29. The results showed mixed perceived usefulness. Items related to efficiency were mostly supported, and items related to effectiveness were mostly neutral. Items related to overall satisfaction were mostly not supported. In addition, some participant groups reported higher levels of agreement with the examined items than others. For example, those who worked in a business with 500 employees or more, had much knowledge of autonomous trucks, worked in sales, had two or fewer years of work experience, and worked in a business with international market coverage. In addition, participants who worked in businesses transporting agriculture, food, and livestock cargo reported higher levels of agreement with the examined perceived usefulness than those who worked in companies transporting construction, fuel, machinery, waste, and mixed freight. This study contributes to the academic literature by adding more insights about the perceived usefulness of autonomous trucks in logistics. The results would benefit academics, researchers, logisticians, supply chain managers, autonomous truck manufacturers, policymakers, and other interested stakeholders. They can also help develop future research projects in a similar domain.
Approximations of the Harmonic Numbers
Authors: Chen Chao-Ping , Mortici Cristinel
Published: January 2025

The aim of this paper is to present some approximations on the harmonic numbers. Some associated asymptotic series are constructed.
Implicit knowledge-augmented prompting for commonsense explanation generation
Authors: Ge Yan , Yu Hai-Tao , Lei Chao , Liu Xin , Jatowt Adam , Kim Kyoung-sook , Lynden Steven , Matono Akiyoshi
Published: January 2025

Commonsense explanation generation refers to reasoning and explaining why a commonsense statement contradicts commonsense knowledge, such as why the statement “My dad grew volleyballs in his garden” is nonsensical. While such reasoning is trivial for humans, it remains a challenge for AI systems. Despite their notable performance in tasks like text generation and reasoning, large language models (LLMs) often fall short of consistently generating coherent and accurate commonsense explanations. To bridge this gap, we propose a novel Two-stage Identification and Prompting (TIP) framework for enhancing LLMs’ ability to handle the task of commonsense explanation generation. Specifically, in the first stage, TIP identifies the nonsensical concept in the given statement, pinpointing the specific element that contradicts commonsense knowledge. In the second stage, TIP generates implicit knowledge based on the identified nonsensical concept and then leverages this implicit knowledge to guide the adopted LLMs in generating explanations. In order to demonstrate the effectiveness of the proposed TIP framework for commonsense explanation generation, we conducted extensive experiments based on the ComVE dataset and a newly constructed CSE dataset, where a variety of LLMs are evaluated. The experimental results show that TIP consistently outperforms all baseline methods across multiple metrics, demonstrating its effectiveness in improving LLMs’ commonsense reasoning and explanation generation capabilities.
Promoting water consumption among children through a social network intervention: a cluster randomized controlled trial on a Caribbean island
Authors: Franken Saskia C. M. , Smit Crystal R. , de Moor Marleen H. M. , de Leeuw Rebecca N. H. , Buijzen Moniek
Published: January 2025

Aim

This study examined the effect of the evidence-based adapted social network intervention named Kies Awa (translation: Choose Water) on children’s water and sugar-sweetened beverages (SSB) consumption. It also examined the moderating role of children’s descriptive and injunctive norms of water and SSB consumption on the intervention’s effect.

Subject and methods

We conducted a cluster randomized control trial (RCT) where schools were randomized to one of two clusters: the intervention group (IG; Kies Awa intervention; 156 participants; M = 11.08, SD = 1.00; 53.8% girls) or the control group (CG; no intervention; 144 participants; M = 11.32, SD = 0.96; 52.8% girls). The primary outcome measure was water consumption and the secondary outcome was SSB consumption.

Results

Linear mixed modeling analyses showed that water consumption increased significantly more among IG participants than in the CG (β = 0.141; p = 0.015). The effect on SSB consumption was moderated by perceived injunctive norms, which refer to social disapproval of consuming SSBs. Specifically, the intervention reduced SSB consumption for participants reporting high levels of injunctive norms (β = -0.052; p = 0.037).

Conclusion

These findings suggest that Kies Awa, an evidence-based adapted intervention, could be implemented in other Caribbean islands to improve children’s water consumption. This approach could be integrated into school health programs, contributing to public health. These findings may help achieve the United Nations’ goal of ensuring healthy lives for all children, even in under-researched world regions.

Clinical Trial Registration: Main ID number: NL-OMON26157, preregistration date 2018-12-20. https://trialsearch.who.int/Trial2.aspx?TrialID=NL-OMON26157.
Aquatic ecosystem indices, linking ecosystem health to human health risks
Authors: De Carvalho Fanny G. , Loyau Adeline , Kelly-Irving Michelle , Schmeller Dirk S.
Published: January 2025

The good functioning of aquatic ecosystems is essential for providing diverse ecosystem services that benefit humans. The degradation of ecosystem health due to continuous stressors, such as climate change or water pollution, is leading to an increase in human health risks and well-being. Indicators have been developed to determine human health risks from recreational and drinking water. Still, a general application to aquatic ecosystems linking ecosystem health and human health risks has not been done. We here reviewed indicators and indices applied to assess the health of aquatic ecosystems and their links with human health risk and well-being. We evaluated the extent to which indicators can witness a risk to human health and well-being. A total of 245 articles were reviewed, consisting of 185 on the assessment of aquatic ecosystem health and 60 linking ecosystem health and human health or well-being. Out of the 65 indices described, we evaluated the use of several parameters and their relevance to evaluate human health risks, including physico-chemical parameters, bioindicators, contaminants, and pathogens, therefore covering the various sources of ecosystem disturbance. Based on our assessment, we propose a set of indicators that would allow for the inclusion of risks for human health and well-being in the assessment of ecosystem health (e.g. coliforms, algae, pH, nutrients, chemical compounds, and ecosystem services). Measuring these parameters should be incorporated into future studies to allow an understanding of the linkage of ecosystem and human health.
Critical factors affecting digital transformation in manufacturing companies
Authors: Chirumalla Koteshwar , Oghazi Pejvak , Nnewuku Rosa Eluekezi , Tuncay Hatice , Yahyapour Nima
Published: January 2025

Digital transformation represents a compelling opportunity for manufacturing companies to enhance their competitiveness. This transformative journey offers myriad possibilities, including improved connectivity between workers and machines, as well as seamless machine-to-machine interactions. However, many manufacturing companies encounter challenges when attempting to implement digital transformation effectively. The process of digital transformation is often slow, and most companies find themselves in the early stages of adoption, grappling with the ambiguity surrounding the associated technologies. A systematic approach for the implementation of digital transformation is still elusive for many manufacturing companies. The number of studies exploring digital transformation is increasingly growing, encompassing various sectors and domains. However, within the manufacturing sector, there remains a need for further research and clarity on systematic implementation approaches. To address these issues, this research undertakes a comprehensive analysis to identify the critical factors that influence digital transformation in the manufacturing sector. The objective of this research is to identify the factors that drive the success of digital transformation in manufacturing companies while also uncovering factors that, when neglected, could lead to failure. Through a systematic literature review, this research identifies 11 critical factors. These factors serve as the basis for developing the ARTO model, a structured framework comprising four distinct categories: "Awareness-related factors," "Readiness-related factors," "Technology Selection-related factors," and "Operations-related factors." Moreover, this research incorporates expert perspectives gathered through a survey to refine the ARTO model. This study offers the ARTO model and digital transformation definition as practical tools for successfully implementing digital transformation in manufacturing companies, while also delineating the intricate relationships among the crucial factors. By shedding light on the factors underpinning digital transformation in the manufacturing sector, this research contributes to the ongoing discourse and facilitates more effective adoption of digital transformation strategies.
Hybridizing evolutionary algorithms and multiple non-linear regression technique for stream temperature modeling
Authors: Sedighkia Mahdi , Moradian Zahra , Datta Bithin
Published: January 2025

The present study hybridizes the new-generation evolutionary algorithms and the nonlinear regression technique for stream temperature modeling and compares this approach with conventional gray and black box approaches under natural flow conditions, providing a comprehensive assessment. The nonlinear equation for water temperature modeling was optimized using biogeography-based optimization (BBO) and invasive weed optimization (IWO), simulated annealing algorithm (SA) and particle swarm optimization (PSO). Two black box approaches, a feedforward neural network (FNN) and a long short-term memory (LSTM) network, were also employed for comparison. Additionally, an adaptive neuro-fuzzy inference system (ANFIS) served as a gray box model for river thermal regimes. The models were evaluated based on accuracy, complexity, generality and interpretability. Performance metrics, such as the Nash–Sutcliffe efficiency (NSE), showed that the LSTM model achieved the highest accuracy (NSE = 0.96) but required significant computational resources. In contrast, evolutionary algorithm-based models offered acceptable performance while reducing the computational complexities of LSTM, with all models achieving NSE values above 0.5. Considering interpretability, accuracy and complexity, evolutionary-based nonlinear models are recommended for general applications, such as assessing thermal river habitats. For tasks requiring very high accuracy, the LSTM model is preferred, while ANFIS provides a balanced trade-off between accuracy and interpretability, making it suitable for engineers and ecologists. While all models demonstrate similar generality, this model is developed for a specific location. For other locations, independent models with a similar architecture would need to be developed. Ultimately, the choice of model depends on specific objectives and available resources.
Assessment of variations in shear strain energy induced by fault coseismic slip in deep longwall mining
Authors: Li Yatao , Gao Xuehong
Published: January 2025

Shear strain energy is a pivotal physical quantity in the occurrence of earthquakes and rockbursts during deep mining operations. This research is focused on understanding the changes in shear strain energy in the context of retreating longwall mining, which is essential for the optimized design and mitigation of rockbursts and seismic events. Through the application of innovative analytical models, this study expands its analytical range to include the variations in shear strain energy caused by fault coseismic slip. An integrated methodology is utilized, taking into account the changes in coseismic and fault friction parameters as well as enhancements in mining-induced stress and existing background stresses. Our numerical investigation highlights the significance of mining location and fault characteristics as key determinants of shear strain energy modifications. The analysis demonstrates significant spatial variability in shear strain energy, especially noting that fault slip near the mining face greatly increases the likelihood of rockburst. This finding emphasizes the need to integrate fault coseismic slip dynamics into the triggering factors of rock (coal) bursts, thus broadening the theoretical foundation for addressing geological hazards in deep mining operations. The results are further corroborated by observational data from the vicinity of the F16 fault zone, introducing the concept of mining-induced fault coseismic slip as an essential element in the theoretical framework for understanding rockburst triggers.
Acquisition of Chinese characters: the impact of character properties and the contribution of individual differences
Authors: Kuo Li-Jen , Ku Yu-Min , Chen Zhuo , Shih Chih-Yuan
Published: January 2025

Drawing upon research on the visual complexity effect and Dual Coding Theory, this research examined the influence of character properties and the role of individual learner differences in Chinese character acquisition. The participants included 248 Chinese-speaking children in grades 1 through 3 in Taiwan. The study extended the scope of previous research by concurrently examining two types of cognitive processing: activation of verbal codes with nonverbal codes (activation of word form) and activation of nonverbal codes with verbal codes (activation of meaning). Results revealed the asymmetry in the two types of cognitive processing. Regarding the influence of character properties, while characters with less visual complexity and with radical presence are generally more acquirable, the interaction between these two properties was only present in the activation of meaning but not the activation of word form. Individual differences contributing to character acquisition did not mirror each other in the two directions of cognitive processing either. The contribution of radical awareness and visual skills remained the same across grade levels in the activation of meaning but varied with grades and the properties of the characters in the activation of word form. The methodological and theoretical contributions of the study were discussed.
Early menarche is associated with disordered eating—results from a National Youth Survey
Authors: Iron-Segev Sharon , Namimi-Halevi Chen , Dor Chen , Dichtiar Rita , Stark Aliza H. , Keinan-Boker Lital , Sinai Tali
Published: January 2025

Background

Disordered eating (DE) is highly prevalent among adolescents, though its definition varies. The association between DE and early pubertal maturation (EPM) remains underexplored in Israel, and has not been sufficiently examined using the widely-used SCOFF questionnaire. This study examines these associations in adolescents.

Methods

Participants (n = 2415 girls, 2095 boys; ages 12–18 years) in a nationally-representative, cross-sectional Youth Health and Nutrition Survey (2015–2016) completed self-administered questionnaires, including the SCOFF questionnaire, and underwent anthropometric measurements. EPM was determined by menarcheal age <11.5 years in girls, and facial hair appearance <12.5 years in boys. Respondents affirming ≥2 SCOFF items were classified as DE cases. Multivariable logistic regression analyses examined the associations between EPM and DE.

Results

Among the participants, 12.7% of the girls and 20.4% of the boys met EPM criteria; 55.5% and 33.7%, respectively, were categorized as having DE. Following adjustment for age, socioeconomic status, ethnic background, and weight status, EPM was significantly associated with DE in girls (OR 1.47, 95%CI: 1.12–1.93) and with 3/5 SCOFF items. No such association was found in boys (OR 1.00, 95%CI: 0.77–1.28).

Conclusion

EPM in girls was associated with DE. Identifying high risk groups for DE in adolescents is crucial for early intervention and prevention.

Impact

This study included a large, nationally representative sample of Israeli adolescents and utilized the SCOFF questionnaire, a widely used screening measure for disordered eating (DE).

Following comprehensive analyses, a significant association between early pubertal maturation (EPM), defined as early menarche, and DE was documented in Israeli adolescent girls.

Identifying girls with EPM and screening for disordered eating will allow for early interventions, potentially improving physical and mental health, and preventing progression to eating disorders.
Damage due to ice crystallization
Authors: Demmenie Menno , Kolpakov Paul , van Casteren Boaz , Bakker Dirk , Bonn Daniel , Shahidzadeh Noushine
Published: January 2025

The freezing of water is one of the major causes of mechanical damage in materials during wintertime; surprisingly this happens even in situations where water only partially saturates the material so that the ice has room to grow. Here we perform freezing experiments in cylindrical glass vials of various sizes and wettability properties, using a dye that exclusively colors the liquid phase; this allows precise observation of the freezing front. The visualization reveals that damage occurs in partially water-saturated media when a closed liquid inclusion forms within the ice due to the freezing of the air/water meniscus. When this water inclusion subsequently freezes, the volume expansion leads to very high pressures leading to the fracture of both the surrounding ice and the glass vial. The pressure can be understood quantitatively based on thermodynamics which correctly predicts that the crystallization pressure on the inclusion boundary is independent of the volume of the liquid pocket. Finally, our results also reveal that by changing the wetting properties of the confining walls, the formation of the liquid pockets that cause the mechanical damage can be avoided.
Male sex determination maintains proteostasis and extends lifespan of daf-18/PTEN deficient C. elegans
Authors: Qu Zhi , Zhang Lu , Yin Xue , Dai Fangzhou , Huang Wei , Zhang Yutong , Ran Dongyang , Zheng Shanqing
Published: January 2025

Although females typically have a survival advantage, those with PTEN functional abnormalities face a higher risk of developing tumors than males. However, the differences in how each sex responds to PTEN dysfunction have rarely been studied. We use Caenorhabditis elegans to investigate how male and hermaphrodite worms respond to dysfunction of the PTEN homolog daf-18. Our study reveals that male worms can counterbalance the negative effects of daf-18 deficiency, resulting in longer adult lifespan. The survival advantage depends on the loss of DAF-18 protein phosphatase activity, while its lipid phosphatase activity is dispensable. The deficiency in DAF-18 protein phosphatase activity leads to the failure of dephosphorylation of the endoplasmic reticulum membrane protein C18E9.2/SEC62, causing increased levels of unfolded and aggregated proteins in hermaphrodites. In contrast, males maintain proteostasis through a UNC-23/NEF-mediated protein ubiquitination and degradation process, providing them with a survival advantage. We find that sex determination is a key factor in regulating the differential expression of unc-23 between sexes in response to daf-18 loss. These findings highlight the unique role of the male sex determination pathway in regulating protein degradation.
Siderophore-based targeted antibody recruitment for promoting immune responses towards Gram-negative pathogens
Authors: Kim Seungwoo , Park Ho-Sung , Kim Do Young , Joh Hyunhi , Oh Jiseok , Kim Dong Ho , Kang Min Ju , Choi Chul Hee , Kim Hak Joong
Published: January 2025

Siderophores can serve as effective targeting motifs for development of antibody-recruiting molecules to combat bacterial infections.
Facile synthesis of erbium vanadate nanoribbons for electrochemical detection of 4-nitrotoluene
Authors: Radha Aravind , Wang Sea-Fue
Published: January 2025

In this work, utilizes a simple hydrothermal process for preparing ErVO4 nanoparticles. The prepared ErVO4 nanoparticles were used for the electrochemical detection of hazardous organic contaminants in 4-nitrotoluene. The physicochemical...
Kinetics of ion-mediated directed self-assembly of one-dimensional chains of metal nanoparticles in solution
Authors: Lim Jay Min , Ashar Naveed Muhammad , Wang Yanan , Saraf Ravi F.
Published: January 2025

Directed self-assembly of 10 nm gold particles to form a 1D chain was initiated by adding Cd2+ salt and observed by UV-Vis spectrum in real time. Simulation-experiment analysis showed distinct “addition” and “condensation” regime confirmed by SEM.
High-yielding total synthesis of embelin, rapanone, and irisoquin A, D, F
Authors: Ashok Etikala , Lakshmi Pandhiti R. , Sanwal Shyam D. , Ramachary Dhevalapally B.
Published: January 2025

A simple three- and four-step protocol was developed to synthesize biologically active irisoquin, irisoquin A, irisoquin D, irisoquin F, sorgoleone-364, embelin and rapanone from 2,5-dihydroxy-1,4-benzoquinone in very good to excellent yields.
Efficiency of carbon dioxide capture with metal substitutions in the MIL-88A metal–organic framework
Authors: Ngoc Son Do , Chihaia Viorel , Thi Xuan Huynh Nguyen
Published: January 2025

We evaluated the efficiency of CO2 capture for various metal substitutions in the MIL-88A metal–organic framework. Ga and Al emerged as the most effective candidates among the considered metals.
In silico screening of P,N-ligands facilitates optimization of Au(iii)-mediated S-arylation
Authors: Treacy Joseph W. , Tilden James A. R. , Chao Elaine Y. , Fu Zihuan , Spokoyny Alexander M. , Houk K. N. , Maynard Heather D.
Published: January 2025

In silico examination of 13 P,N-ligated Au(iii) OACs determined the key mechanistic factors governing Au(iii)-mediated S-arylation. Three complexes were synthesized which exhibited bimolecular coordination rate constants as high as 20 200 M−1 s−1.
Strengthening C–H⋯π intermolecular interactions induces emission enhancement of anthracene derivatives under high pressure
Authors: Lv Yonghui , Yang Xinqi , Jia Wenpeng , Li Qian , Liu Wengang , He Ben-guo , Liu Yongli , Wang Kai , Liu Haichao , Dai Yuxiang
Published: January 2025

The crystal of an anthracene-based derivative with a carbazole steric hindrance group shows enhanced fluorescence when compressed from 1 atm to 1.0 GPa due to strengthened C–H⋯π interactions.
Contorted graphene nanoribbons from vat dyes: synthesis, properties and charge carrier mobility
Authors: Darvish Ali , Mooney Madison , Gomes Tiago C. , Gagnon Félix , Rondeau-Gagné Simon , Morin Jean-François
Published: January 2025

Vat dyes represent an interesting class of building blocks for organic electronics as they are readily available at low cost and easy to functionalize.
Synchronization stability of epileptic brain network with higher-order interactions
Authors: Li Zhaohui , Wang Chenlong , Li Mindi , Han Biyun , Zhang Xi , Zhou Xiaoxia
Published: January 2025

Generally, epilepsy is considered as abnormally enhanced neuronal excitability and synchronization. So far, previous studies on the synchronization of epileptic brain networks mainly focused on the synchronization strength, but the synchronization stability has not yet been explored as deserved. In this paper, we propose a novel idea to construct a hypergraph brain network (HGBN) based on phase synchronization. Furthermore, we apply the synchronization stability framework of the nonlinear coupled oscillation dynamic model (generalized Kuramoto model) to investigate the HGBNs of epilepsy patients. Specifically, the synchronization stability of the epileptic brain is quantified by calculating the eigenvalue spectrum of the higher-order Laplacian matrix in HGBN. Results show that synchronization stability decreased slightly in the early stages of seizure but increased significantly prior to seizure termination. This indicates that an emergency self-regulation mechanism of the brain may facilitate the termination of seizures. Moreover, the variation in synchronization stability during epileptic seizures may be induced by the topological changes of epileptogenic zones (EZs) in HGBN. Finally, we verify that the higher-order interactions improve the synchronization stability of HGBN. This study proves the validity of the synchronization stability framework with the nonlinear coupled oscillation dynamical model in HGBN, emphasizing the importance of higher-order interactions and the influence of EZs on the termination of epileptic seizures.