bluuebunny/crossref_metadata_2025 huggingface dataset:
BIM‐basierte Planfeststellung für Infrastrukturgroßprojekte
Authors: Matthei Jonathan , Rausch Sjard , Klemt‐Albert Katharina
Published: August 2024

Die Planfeststellung markiert einen entscheidenden Meilenstein im Realisierungsprozess von Infrastrukturgroßprojekten. Diese Phase ist jedoch nicht selten von zeitaufwendigen Verfahren und damit einhergehenden steigenden Kosten geprägt. Angesichts der dringenden Notwendigkeit, effiziente und nachhaltige Infrastrukturlösungen zu entwickeln, gewinnt die Digitalisierung und Beschleunigung von Genehmigungsverfahren wie dem Planfeststellungsverfahren (PFV) zunehmend an Bedeutung. In diesem Kontext rückt die Methode des Building Information Modeling (BIM) als vielversprechende Lösung in den Fokus. Basierend auf einer empirischen Untersuchung identifiziert dieser Aufsatz 13 Optimierungsmöglichkeiten im PFV, die in Form von User Storys festgehalten werden. Auf Grundlage dieser Erkenntnisse wird ein Konzept zur BIM‐basierten Planfeststellung entwickelt, welches einen konkreten Ansatz darstellt, wie Genehmigungsverfahren beschleunigt und bürgernäher gestaltet werden können. Das entworfene Konzept befähigt den Vorhabenträger sowie die Planfeststellungsbehörde, den Prozess der Planfeststellung durch Nutzung einer gemeinsamen Datenplattform (Common Data Environment, CDE) zu koordinieren und sämtliche relevanten Daten und Informationen auszutauschen. Das entwickelte Konzept gilt es im Rahmen des Forschungsprojekts BIM4People (08/23–01/26, 19FS2057A) zu konkretisieren und um Anforderungen zu ergänzen.
Metabolomics combined with network pharmacology to investigate the pharmacodynamic components and potential mechanisms of the spermatogenic function of the Youjing granule
Authors: Guo Mingxin , Chu Yujiao , Zhu Wenjiao , Sun Miaomiao , Lv Qiang , Tang Ruijie , Jiang Xuping , Zhao Jiahao , Tang Zhian , Ma Tieliang
Published: August 2024

This study aims to identify potential efficacy‐related biomarkers and investigate the mechanism of Youjing granule (YG) in improving spermatogenic function in rats based on metabolomics combined with network pharmacology. We obtained YG‐containing serum from Sprague–Dawley rats, compared it with control group serum and analyzed it using gas chromatography–mass spectroscopy to identify potential biomarkers and investigate the mechanism of YG in improving spermatogenic function in rats. Six important differential biomarkers, comprising putrescine, amidine, arginine, d‐fructose‐6‐phosphate, l‐proline and galactose, were identified in the YG‐containing serum and then used to explore the potential mechanisms. The ultra‐high‐performance liquid chromatography–high‐resolution mass spectrometry technology was adopted for the rapid separation, identification and analysis of chemical components of YG in blood. A total of 69 detected chromatographic peaks were revealed. The binding energy between core compounds and key proteins is low, among which dipsacoside B is the best. The outcomes suggest that YG may improve spermatogenic function in rats by facilitating the development of spermatogonial stem cells, counteracting oxidative stress and controlling cellular apoptosis. Youjing granule may also affect the energy required for sperm production or influence sperm growth and maturation.
Identification and quantification of the antioxidants in Ginkgo biloba leaf
Authors: Hu Chenxiu , Wang Yujing , Deng Yingqian , Yao Jianbiao , Min Hui , Hu Jiqiang , Fan Xiaohui , Wang Shufang
Published: August 2024

The antioxidant activity of Ginkgo biloba leaf (GBL) extract is closely related to its efficacy against various diseases; however, the antioxidant activities of the specific constituents of GBL remain unclear. In this study, 194 GBL constituents were identified using ultra‐performance liquid chromatography‐quadrupole‐time‐of‐flight mass spectrometry, including 97 flavonoids, 37 terpenoids, 29 lignans, 19 carboxylic acids, 5 alkylphenolic acids, 5 alkylphenols, and 2 other compounds. The cleavage rules of the main constituents of GBL were dissected in detail. The 36 GBL constituents with high antioxidant activity were subsequently discovered using the oxygen radical absorbance capacity assay, including 30 flavonoids and six carboxylic acids. Finally, an HPLC analysis method was established to determine the content of the nine major antioxidants in the three batches of GBL. Among them, kaempferol 3‐O‐β‐D‐(6″‐p‐coumaroyl) glucopyranosyl‐(1‐2)‐α‐L‐rhamnopyranoside, kaempferol‐3‐O‐rutinoside, and rutin exhibited high antioxidant activity and were found in significant amounts in GBL, with concentrations greater than 0.7 mg/g. These results provide an important reference for the development of pharmaceuticals and health products containing GBL.
Reappraisal of the etymology of tendo Achillis: Achilles, the aggressor or the sufferer?
Authors: Sawai Tadashi
Published: August 2024

This study critically reassesses the etymology of the tendo Achillis, examining its connection to Achilles as depicted in classic epics. It challenges the interpretation by Joseph Hyrtl, first presented in the 19th century and still widely accepted, which credits Philippus Verheyen with the introduction of Achilles‐related terminology in the late 17th century. Through an extensive review of anatomical publications from the 16th to the early 18th century across Western Europe, categorized into four distinct periods, this study investigates the origins of the nomenclature for the distal tendon of the triceps surae (DTTS = tendo calcaneus), including both the terminology and the narrative contexts beyond its anatomical functions. The findings reveal that names associated with Achilles predate Verheyen, contradicting Hyrtl's timeline, and suggesting a more intricate association with the figure of Achilles. This not only illuminates the development of one of the most recognized anatomical eponyms but also enhances our understanding of the interplay between medical terminology and cultural narratives.
Racial and ethnic disparities in mortality among World Trade Center Health Registry enrollees with post‐9/11 cancer
Authors: Kehm Rebecca D. , Li Jiehui , Cone James E.
Published: August 2024

Introduction

There are well‐documented racial and ethnic disparities in mortality after cancer in the general population, but less is known about whether disparities also exist in disaster‐exposed populations.

Methods

We conducted a longitudinal cohort study of 4341 enrollees in the World Trade Center Health Registry (WTCHR) with a first‐ever primary invasive cancer diagnosis after 9/11/2001 and followed through 2020. We examined associations of race and ethnicity with all‐cause mortality risk and cause‐specific mortality risk using multivariable Cox proportional hazards regression models and Fine and Gray's proportional sub‐distribution hazards models, respectively. Models were adjusted for baseline characteristics and tumor characteristics. We also examined models further adjusted for socioeconomic status (SES), and we used inverse odds weighting to formally test for mediation by SES.

Results

Compared to non‐Hispanic White enrollees with cancer, non‐Hispanic Blacks had higher risks for all‐cause mortality (adjusted hazard ratio (aHR) = 1.20, 95% CI = 1.02–1.41) and non‐cancer mortality (aHR = 1.48, 95% CI = 1.09–2.01) in the full model. In the model without SES, Hispanic enrollees with cancer had higher risks for all‐cause mortality (aHR = 1.32, 95% CI = 1.09–1.60) and cancer mortality (aHR = 1.31, 95% CI = 1.05–1.64) compared to non‐Hispanic Whites; these associations became not statistically significant in the full model. In the inverse odds weighting analysis, SES explained 24% and 29% of the disparity in all‐cause mortality risk observed in non‐Hispanic Blacks and Hispanics, respectively, compared to non‐Hispanic Whites.

Conclusion

This study found that there are racial and ethnic disparities in mortality after cancer in the WTCHR. Additional studies are needed to further explore the factors mediating these disparities.
Online support groups, social identity, and the health and wellbeing of adults with Long Covid: An interview study
Authors: Mills Freya , Drury John , Symons Charles , Weston Dale , Amlôt Richard , Carter Holly
Published: August 2024

As many individuals with Long Covid are left without formal support, they have turned to online support groups for help. In a pre‐registered study, interviews were carried out with 21 adults with Long Covid to explore experiences of using online support groups, to understand whether participants felt these experiences influenced their health and wellbeing, and to identify whether group members developed a shared social identity. The reported benefits varied by the nature and size of the online support group: participants reported that smaller groups enabled a sense of community; occupation groups provided work‐specific support; and larger groups helped with symptom management. Interviewees reported that support groups validated members' experiences, made them feel less alone, and enhanced self‐efficacy by providing and offering support and enabling participants to learn new skills. However, negative outcomes were also reported, such as increased fear and reduced wellbeing. Shared identities developed based on mutual Long Covid experiences, shared values towards illness management, and pre‐existing identities. Reported experiences also varied between online support group size (large vs small); type (e.g., advocacy‐focused, yoga‐based, local or international); and platform (video‐ vs text‐based) and throughout the illness. Whilst this study recognises the necessity of medical treatment for Long Covid, we also recommended that individuals with Long Covid explore different support groups to find the most suitable group for them in terms of preferred group features, values towards illness management and enablement of social identities.
“I was told that people might hurt me”: Experiences of religious discrimination among Jewish, Christian, and Alevi youth in Turkey
Authors: Tanyas Bahar
Published: August 2024

This study investigates the experiences of young members of Alevi, Christian, and Jewish religious minorities in Turkey, a secular country with a Sunni Muslim majority. Data was collected through semi structured interviews with 29 participants aged from 17 to 24. A thematic analysis was employed to explore patterns of discrimination and exclusion in their everyday lives. The experiences of Jewish and Christian participants are characterized by ostracism, increased vulnerability to injury, and passing as a member of the majority. Alevi participants report being subjected to intense pressure to become assimilated into majority Sunni practices, as well as frequent exposure to harshly unfavourable stereotypes, and ongoing rejection of Alevi theology as a ‘true’ belief system. The discussion centres on the issue of misrecognition and, particularly, denial of identity, contextualizes the findings into broader dynamics of nation‐state politics, and focuses attention on the agency of minorities and majorities. Limitations of the study and recommendations for future research have also been presented. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Sex differences among U.S. high school students in the associations of screen time, cyberbullying, and suicidality: A mediation analysis of cyberbullying victimization using the Youth Risk Behavioural Surveillance Survey 2021
Authors: Feng Shuo , Liu Renming , Jung Yoonsung , Barry Adam , Park Jeong‐Hui
Published: August 2024

The objective of the study is to explore the associations of screen time, cyberbullying victimization, and suicidality during the COVID‐19 pandemic in female and male high school schools, especially the sex differences in the mediation effect of cyberbullying on the relation between screen time and suicidality. This study analysed the direct paths and mediation effects between variables among the 13,982 participants (female: 49%; male: 51%; age 15–17: 74%) in the Youth Risk Behaviour Survey 2021 (YRBS) using the Structural Equation Model and the Monte Carlo methods in Stata. Multiple‐group analysis was conducted to compare sex differences in the mediation effects. Elevated screen time increased the likelihood of suicide ideation (male: OR: 1.50, 95% CI: 1.26–1.79; female: OR: 1.47, 95% CI: 1.28–1.70), suicide plan (male: OR: 1.56, 95% CI: 1.29–1.89; female: OR: 1.45, 95% CI: 1.24–1.69), suicide attempts (female: OR: 1.23, 95% CI: 1.02–1.48). Cyberbully victims had higher odds of suicide ideation (female: OR: 3.69, 95% CI: 3.25–4.17; male: OR: 4.50; 95% CI: 3.80–5.34), suicide plan (female: OR: 3.74; 95% CI: 3.28–4.25; male: OR: 5.03; 95% CI: 4.22–6.01), and suicide attempt (female: OR: 4.24; 95% CI: 3.66–4.92; male: OR: 4.70; 95% CI: 3.81–5.79). Sex differences were revealed in the mediation effects on suicide ideations (χ2(2) = 8.72, p < .05), suicide attempts (χ2(2) = 8.80, p < .05), and suicide overall (χ2(2) = 6.42, p < .05), where the effects were stronger in female students than in males. Screen time and cyberbullying victimization were directly associated with suicide‐related behaviours in adolescents. Cyberbullying victimization in females had stronger mediation effects than in males. These findings emphasized the importance of understanding the new hybrid psychosocial dynamics and creating a healthy hybrid psychosocial environment, especially for female adolescents.
Community‐based participatory research for urban regeneration: Bridging the dichotomies through the exp‐EIA method
Authors: Rainisio Nicola , Boffi Marco , Piga Barbara , Stancato Gabriele , Fumagalli Natalia
Published: August 2024

Urban environment design profoundly influences citizens' health and well‐being. Despite the aim of urban regeneration initiatives to enhance community well‐being and social connections, they often struggle to ensure a balance of power among stakeholders, effectively involve citizens, and accurately assess subjective urban experiences. New methodological approaches in community‐based participatory research (CBPR) are advocated to facilitate interactions among social actors and overcome the digital versus real dichotomy. This article introduces the Experiential Environmental Impact Assessment (exp‐EIA) method as a novel research and intervention tool to address these challenges. Grounded in psychology, exp‐EIA aims to integrate emotional, cognitive, and community identity dimensions to capture the nuanced experiences of urban environments. Through digital data collection and visualization tools, exp‐EIA could facilitate participatory decision‐making processes across various stages of urban regeneration projects. Furthermore, its adaptability enables significant integration with existing participatory methods, fostering inclusive engagement and innovative design solutions. The theoretical framework of exp‐EIA, its application in CBPR, and its potential to bridge the gap between technological innovation and citizen engagement in urban regeneration processes are discussed. A blended case study conducted in the metropolitan area of Milan (Italy) is presented, highlighting a promising pathway towards more inclusive and effective approaches to community revitalization.
Further evidence that system justification decreases among extreme conservatives and the role of national populism
Authors: Caricati Luca , Rossi Francesca
Published: August 2024

This article replicates and extends previous results indicating that system justification, in a pool of non‐American samples, decreases at the extremes of the political continuum. Data came from 29 European countries enrolled in nine rounds of the European Social Survey from 2002 to 2018. Results indicated that right‐wingers were more likely to support the existing social system than left‐wingers. However, a significant and negative quadratic effect emerged indicating that system justification decreased among extremists in both left and right‐leaning poles. Findings also revealed that the level of national populist voting moderated the relationship between political orientation and system justification so that the difference between extreme leftists and extreme rightists was further reduced when national populist voting was higher. Results seem to confirm that extremists can be critical of the existing social system and that this trend is affected by the level of the rise in populism in those countries. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Behçet's disease presented with obscure gastrointestinal bleeding: A Palestinian case report
Authors: Jobran Afnan W. M. , Janem Abdelrhman , Alhor Tareq , Idris Muhammad , Nabilsi Mustafa , Mughrabi Salam , Alfakhry Aisha , Ashhab Hazem
Published: August 2024

Key Clinical Message

It is important to recognize and manage gastrointestinal symptoms in patients with BD, as they are linked to high rates of mortality and morbidity. BD can affect any part of the gastrointestinal tract, and prompt diagnosis and appropriate treatment are essential to prevent complications. Additionally, the diagnosis of BD is primarily based on clinical factors due to the lack of pathognomonic laboratory tests.

Behçet's disease (BD) is an idiopathic, chronic, and relapsing multi‐systemic vasculitis characterized by recurrent skin lesions and eye disease. There is no pathognomonic laboratory testing; the diagnosis is made mainly on clinical factors. BD symptoms affecting the gastrointestinal (GI) system are particularly important as they are linked to high rates of mortality and morbidity. Although ileocecal involvement is most frequently mentioned, BD can affect any part of the GI tract. There are techniques for keeping track of disease activity during treatment, but they are not ideal. We present a case of a 38‐year‐old male patient admitted to the ICU with a history of black tarry stools of 1‐month duration, fresh blood per rectum 5 to 7 times a day associated with fever, chills, and back and nonspecific joint pain for five days. The patient also experienced left eye episcleritis while being hospitalized, which was later confirmed to be BD.
Effects of an arm ergometer for a patient with knee osteoarthritis and central sensitization: A case report
Authors: Uzawa Hironobu , Otani Toshiro , Morii Kenichi , Asakawa Takashi , Furuyama Hiroto , Nishida Yusuke
Published: August 2024

Key Clinical Message

Aerobic exercise may be an effective treatment for knee osteoarthritis and central sensitization, but no interventional studies have examined its effects. In this study, the patient showed improvement in central sensitization, pain, and autonomic nervous system activity after aerobic exercise using an arm ergometer.
Paget's bone disease in a nonendemic region: Exploring novel therapeutic strategies
Authors: Razavianzadeh Nasrin , Shahramirad Soheil , Hasani Mohammad , Babaei Hessamedin
Published: August 2024

Key Clinical Message

Paget's disease of bone (PDB) is a chronic condition causing abnormal bone remodeling, leading to pain, fractures, and complications. A 57‐year‐old female patient, asymptomatic and devoid of pain, incidentally exhibited elevated levels of alkaline phosphatase. Following a thorough consideration of potential differential diagnoses, the eventual diagnosis established was PDB. We recommended Fosamax (70 mg alendronate tablets) at two tablets twice weekly for 3 months to manage PDB due to patient preference and side effects with intravenous zoledronic acid. Subsequent assessments of alkaline phosphatase levels during follow‐up examinations post‐treatment revealed a reduction in their values.
Hydrogen Evolution Catalysis by Cobalt Complexes of an Aza‐Bridged Bis‐1,10‐Phenanthroline Ligand Bearing Pendant Basic Sites
Authors: Guan Bin , Liu Jiale , Leng Ji‐dong , Fan Ting , Tong Lianpeng
Published: August 2024

A novel series of molecular Co(II) complexes with aza‐bridged bis‐1,10‐phenanthroline (bpa) ligands have been synthesized and reported for the catalytic hydrogen evolution reaction (HER). Various nitrogen donor substituents are introduced at the aza‐bridge of the bis‐phenanthroline moieties render intramolecular basic sites in the complexes’ second‐coordination sphere. Modifying the pendant nitrogen donor significantly influences the catalytic HER performance. Among these, the cobalt complex with the (2‐pyridyl)methyl substituted bis‐phenanthroline ligand (L3) exhibits the most photocatalytic HER efficiency in both organic and aqueous media. Under optimized conditions with [Ru(bpy)3]2+ as a sensitizer and ascorbic acid as an electron donor, [CoII(L3)(TfO−)2] achieves an initial turnover frequency (TOF) of 1882±65 h−1 per catalyst and a turnover number (TON) of 4842±122 in a 3 hour reaction period under the irradiation of visible light. Combined experimental and theoretical evidences illustrate that phenanthroline moieties of the bpa ligands act as electron mediators during the HER catalysis, while the pendant nitrogen donor substituents mediate proton transfer. This work provides a unique example for understanding the activity‐structure relationship of homogeneous HER catalyst concerning the redox‐active properties and second coordination sphere basic sites of organic ligand platforms.
What is the Origin of the Regioselective C3‐Hydroxylation of L‐Arg by the Nonheme Iron Enzyme Capreomycin C?
Authors: Cao Yuanxin , Wong Henrik P. H. , Warwicker Jim , Hay Sam , de Visser Sam P.
Published: August 2024

The nonheme iron dioxygenase capreomycin C (CmnC) hydroxylates a free L‐arginine amino acid regio‐ and stereospecifically at the C3‐position as part of the capreomycin antibiotics biosynthesis. Little is known on its structure, catalytic cycle and substrate specificity and, therefore, a comprehensive computational study was performed. A large QM cluster model of CmnC was created of 297 atoms and the mechanisms for C3−H, C4−H and C5−H hydroxylation and C3−C4 desaturation were investigated. All low‐energy pathways correspond to radical reaction mechanisms with an initial hydrogen atom abstraction followed by OH rebound to form alcohol product complexes. The work is compared to alternative L‐Arg hydroxylating nonheme iron dioxygenases and the differences in active site polarity are compared. We show that a tight hydrogen bonding network in the substrate binding pocket positions the substrate in an ideal orientation for C3−H activation, whereby the polar groups in the substrate binding pocket induce an electric field effect that guides the selectivity.
A Comparative Study of a High‐Pressure Polymorph of I2O5 and its Ambient‐Pressure Modification
Authors: Teichtmeister Tobias A. , Johrendt Dirk , Bernhart Alexander Hugo , Heymann Gunter , Huppertz Hubert
Published: August 2024

A hitherto unknown modification of I2O5 was obtained from high‐pressure/high‐temperature syntheses in a Walker‐type multianvil device at 8 GPa and 250 °C. HP‐I2O5 crystallizes in the monoclinic crystal system with space group P21/c (no. 14) with the unit cell parameters a=12.0612(3) Å, b=4.8613(2) Å, c=6.9585(2) Å, β=100.10(1)° (at 173 K), and four formula units per cell. The single‐crystal structure data are accompanied by powder X‐ray diffraction data at ambient and elevated temperatures. Furthermore, DFT calculations were carried out to investigate the phase transition between the ambient‐pressure polymorph NP‐I2O5 to the newly synthesized high‐pressure phase.
Chiral Amphiphilic Au23 Cluster and Its Specific Recognition to Remote Di‐amines
Authors: Wu. Junfei , Wang Chen , Chen Ling , Lv Ying , Cui Mengting , Li Qingliang , Zhang Xiangyu , Wang Chen , Yu Haizhu , Zhu Manzhou
Published: August 2024

The atomic precision of metal nanoclusters and variability of surface ligands pave the way for their rational design and functionalization, whereas the property strengthening in multiple ways has been long challenging. Herein, improved amphiphilicity, chirality, thermostability, and strong CPL (circularly polarized luminescence) properties have been accomplished by facile ligand exchange of [Au23(CHT)16]− with HCapt (HCHT and HCapt denote cyclohexanethiol and captopril). In addition, the obtained chiral [Au23(SR)16]− (short for [Au23(CHT)16‐x(Capt)x]−) clusters show specific binding affinity to remote‐diamines (such as arginine and single/double strand DNA), originating from the hydrogen bonding and Van der Waals interaction among the surface Capt ligands and the di‐amine groups.
Exploring the Impact of Protein Chain Selection in Binding Energy Calculations with DFT
Authors: Lindahl Erik , Friedman Ran
Published: August 2024

Calculation of binding free energies between a protein and a ligand are highly desired for computer‐aided drug design. Here we approximate the binding energies of ABL1, an enzyme which is the target for drugs used in the treatment of chronic myeloid leukaemia, with minimal models and density functional theory (DFT). Starting from the crystal structures of protein‐drug complexes, we estimated the binding free energies having used all available individual molecules (protein chains) within each structure, not only a single one as commonly used, in order to see if the choice of the protein chain is important in such calculations. Differences were observed between chains in the same file. Energy decomposition analysis (EDA) revealed that the most important factors for binding were exchange, repulsion and electrostatics. The desolvation term varied dramatically between the inhibitors (between 4.2 and 92.3 kcal/mol). All functionals showed similar patterns in the EDA and in discriminating between the ligands. Non‐covalent interactions (NCI) analysis was used to further explain the differences between protein chains and functionals. Overall, it is shown that small minimal models of a drug binding site can be useful to infer on the suitability of an initial crystal structure for further analysis such as EDA.
Freezing Conformers for Gas‐Phase Förster Resonance Energy Transfer
Authors: Toft Lindkvist Thomas , Djavani‐Tabrizi Iden , Chen Li , Brøndsted Nielsen Steen
Published: August 2024

Various techniques are available to illuminate geometric structures of molecular ions in gas phase, such as Förster Resonance Energy Transfer (FRET) informing on distances between two dyes covalently attached to a molecule. Typically, cationic rhodamines, which absorb and emit visible light, are used for labeling. Extensive work has revealed that the transition energy of a rhodamine is intricately linked to its nearby microenvironment, with nearby charges causing Stark‐shifted emission. This occurs because the inter‐dye Coulomb interaction is weaker in the excited state (S1) than in the ground state (S0) due to the increase in polarizability upon excitation. Therefore, absorption and emission spectra, along with FRET efficiencies, provide insights into structural motifs. At room temperature, multiple conformers often co‐exist, leading to overlapping absorption bands among different conformers and broad spectra. To study specific conformers, it is necessary to isolate them, for example, using ion‐mobility spectrometry. Another approach is to reduce temperature, which results in spectral narrowing and distinct absorption bands, allowing for the selection of specific conformers through selective excitation. Here, we describe the instrumentation used for cryogenically cold FRET experiments and discuss recent results for small model systems, as well as future directions for a technique still in its infancy.
Employing Ammonia for the Synthesis of Primary Amines: Recent Achievements over Heterogeneous Catalysts
Authors: Zhang Mingkai , Qi Zening , Xie Min , Qu Yongquan
Published: August 2024

Primary amines represent highly privileged chemicals for synthesis of polymers, pharmaceuticals, agrochemicals, coatings, etc. Consequently, the development of efficient and green methodologies for the production of primary amines are of great importance in chemical industry. Owing to the advantages of low cost and ease in availability, ammonia is considered as a feasible nitrogen source for synthesis of N‐containing compounds. Thus, the efficient transformation of ammonia into primary amines has received much attention. In this review, the commonly applied synthetic routes to produce primary amines from ammonia were summarized, including the reductive amination of carbonyl compounds, the hydrogen transfer amination of alcohols, the hydroamination of olefins and the arylation with ammonia, in which the catalytic performance of the recent heterogeneous catalysts is discussed. Additionally, various strategies to modulate the surface properties of catalysts are outlined in conjunction with the analysis of reaction mechanism. Particularly, the amination of the biomass‐derived substrates is highlighted, which could provide competitive advantages in chemical industry and stimulate the development of sustainable catalysis in the future. Ultimately, perspectives into the challenges and opportunities for synthesis of primary amines with ammonia as N‐resource are discussed.
Stability of population genetic structure in large yellow croaker (Larimichthys crocea): Insights from temporal, geographical factors, and artificial restocking processes
Authors: Yao Ji‐Xiang , Lin Hung‐Du , Wu Li‐Sheng , Wu Li‐Na , Yuan Ji‐Gui , Ding Shao‐Xiong
Published: August 2024

Despite concerns about overfishing and the potential impact of release programs on wild populations, our study of 3116 individuals from 13 wild populations and 2787 individuals from two cultured populations in Zhejiang and Fujian provinces spanning 2008 to 2023 reveals a relatively stable genetic diversity in Larimichthys crocea. Surprisingly, the genetic diversity of wild large yellow croaker populations has remained consistent over the years, suggesting minimal influence from population declines due to overfishing. With the exception of populations in Sansha Bay and Luoyuan Bay, no significant genetic differences were observed among wild populations, indicating a single panmictic genetic population across the East and South China seas. Notably, significant genetic differentiation exists between cultured and wild populations, suggesting a possible limited genetic adaptation of cultured‐released individuals to the wild environment. The genetic differences observed between the Sansha Bay, with its adjacent Luoyuan Bay populations, and other wild populations underscore the dual effects of habitat environment and farming activities on the genetic structure of large yellow croaker. Our findings suggest that, despite declines in population numbers due to overfishing and expands extensive cultured releases, the genetic diversity of L. crocea populations remains largely unaffected. Moreover, the L. crocea population along the Chinese coast appears to form a single panmictic population with considerable genetic diversity.
Environmentally Benign Synthesis of Magnetic Fe3O4 Nanoparticle/Carbon Black/Copper‐Quercetin Rods for Sensitive, Disposable Electrochemical Sensor for Mitoxantrone
Authors: Alake John , Ssekatawa Kenneth , Mohite Sachin , Kwabena Adu Darko , Wisdom Ike Blessing , Chauhan Ruchika , Miya Lungelo , Nate Zondi , Karpoormath Rajshekhar
Published: August 2024

Phenolic compounds have a variety of activities but are most famous for their antioxidant and metal‐chelating properties. We explore the green synthesis and application of Fe3O4 nanoparticles, carbon black (CB), and copper‐quercetin (Cu−Q) composite for a disposable electrochemical sensor for mitoxantrone. Fe3O4 was synthesised using Camellia sinensis leaf extract. The copper‐quercetin was synthesised by titrating copper acetate solution with quercetin monohydrate solution at room temperature. Equal amounts of Fe3O4, CB, and Cu−Q were mixed to form Fe3O4‐CB/Cu−Q. The Fe3O4‐CB/Cu−Q/SPE has the lowest detection limit (55.47 pM) compared to previous mitoxantrone sensors. The average recovery was 102.2 %, with an RSD of 4.67 % in serum. The sensor maintained an average accuracy of 98.99 % in the presence of the interfering agent. The detection limit of the new sensor is about five times lower than that of the previous Fe3O4 and carbon black electrode. Therefore, it can be suggested that the Copper‐quercetin complex contributed significantly to the electrode's sensitivity. This research is the first to report the three oxidation potentials for mitoxantrone consistent with mitoxantrone's complex oxidation mechanism. Also, this is the first report on using copper‐quercetin as an electrode material for electrode chemical detection. Furthermore, this is the first green‐derived sensor for mitoxantrone.
Occurrence and eco‐toxicological risk assessment of primary aromatic amines in hookah wastewater
Authors: Heydari Gholamreza , Tangestani Mahbubeh , Soleimani Farshid , Ramavandi Bahman , Asl Farshad Bahrami , Rashidi Roshana , Arfaeinia Hossein
Published: August 2024

This study was conducted for the first time to discern the levels of primary aromatic amines (PAAs) in hookah wastewater resulting from the consumption of fruit‐flavored and traditional tobacco. The ecological risk of PAAs laden hookah wastewater and its toxic effects on crustaceans and fish have also been evaluated. The mean concentrations of PAAs in hookah wastewater resulting from consumption of Al‐Mahmoud, Al‐Ayan, Al‐Fakher, and Mazaya brands were 1075.56, 1033.25, 986.94, and 946.58 ng/L, respectively, while it was determined as 355.91 ng/L in traditional tobacco. The concentration of PAAs in the hookah wastewater of fruit‐flavored tobacco was significantly higher than the traditional one (p < 0.05). Aniline (ANL) had the maximum level in hookah wastewater from fruit‐flavored (679.83–802.50 ng/L) and traditional (316.53 ng/L) tobacco consumption. The RQ value of the mean concentration of PAAs in hookah wastewater for all samples was in the range of medium to low‐risk (RQ < 1). In addition to PAAs, other dangerous chemicals in hookah wastewater can increase its ecological and health risk, so it is necessary to manage such wastewater before discharging it into the environment.
Metal Mixture Effects of Ni, Cu, and Zn in a Multispecies, Two-Trophic–Level Algal–Daphnid Microcosm Can Be Predicted From Single-Trophic–Level Effects: The Role of Indirect Toxicity
Authors: Fettweis Andreas , Hansul Simon , Smolders Erik , De Schamphelaere Karel
Published: August 2024

Effect assessments of metals are mostly based on single-metal, single-species tests, thereby ignoring metal-mixture effects and indirect effects through species interactions. We tested the combined effects of metal and species interactions in two-trophic algal–daphnid microcosms. Metal-mixture effects on daphnid communities may propagate from effects on the generally more sensitive algal communities. Four different algal communities (three species each), with and without addition of the same daphnid community (three species) were exposed to single metals and one metal mixture (17:17:51 µg/L Ni:Cu:Zn). Daphnid densities were negatively affected by metals in the two-trophic test, the magnitude of which depended on the algal community composition. Algal densities were overall positively affected by the metals in the two-trophic test but negatively in the single-trophic test, illustrating an indirect positive effect in the two-trophic system due to a reduced grazing pressure. Metal effects on daphnid communities in the two-trophic test (day 21) were correlated with metal effects on the single-trophic–level algal communities during exponential growth (R2 = 0.55, p = 0.0011). This finding suggests that metal effects propagate across trophic levels due to a reduced food quantity. However, the indirect positive effects on algal densities, resulting in abundant food quantity, suggests that metal effects can also propagate to daphnids due to a reduced food quality (not measured directly). Metal-mixture interactions on daphnid densities varied during exposure, but were additive or antagonistic relative to independent action when final daphnid densities were considered (day 56). This suggests stronger indirect effects of the mixture compared with the single metals. Overall, our study highlights the dynamic aspect of community-level effects, which empirical reference models such as independent action or concentration addition cannot predict. Environ Toxicol Chem 2024;43:2350–2364. © 2024 SETAC
Bioactivity evaluations from stem bark extract fractions of Myrica esculenta Buch. ‐Ham.ex D. Don
Authors: Khanal Asmita , Raut Bechan , Khanal Dharma Prasad , Koirala Niranjan
Published: August 2024

The chemical constituents of Myrica esculenta (a plant distributed across Nepal, India, China, and Pakistan) are known for their potent antioxidant properties and reported pharmacological effects. The study used methanol extract to assess antioxidant activity (DPPH assay), anthelmintic effects (standard; albendazole and experimental organism; Eisenia fetida), anti‐inflammatory properties (human red blood cell membrane stabilization), and cytotoxicity (brine shrimp lethality bioassay). The study revealed 39.06% yield with methanol and 2.01% with hexane. Phenolic and flavonoid content were measured at 96.43 mg GAE/g and 14.54 mg QE/g, respectively. Methanolic extract exhibited IC50 of 60.89 μg/mL and LC5o of 160.5298 μg/mL. It also demonstrated anti‐inflammatory activity, notably achieving a 37.8% membrane stabilizing action at 500 μg/mL. Anthelmintic potential was observed at different concentrations (50 mg/mL, 75 mg/mL, and 100 mg/mL), leading to paralysis and death of worms with corresponding times reported. Brine Shrimp Lethality Bioassay revealed concentration‐dependent effects. Methanolic extract of M. esculenta displayed robust antioxidant and anthelmintic activities. The extract was identified as bioactive, holding promise as a source for plant‐derived antitumor compounds. However, further investigation is essential to validate these findings.
Prediction of clinical deterioration risk at 8 hours after arrival in emergency department in non‐traumatic patients using trends in modified early warning score level
Authors: Lin Wen‐Chen , Chang Chin‐Fu , Lin Yan‐Ren , Twu Chih‐Wen , Chen Mei‐Chu , Ku Yu‐Pin , Lin Kang‐Ping , Lin Ching‐Hsiung
Published: August 2024

Background

Improving the quality of medical care in hospitals is a major priority for all departments. The early warning score (EWS) trend is an effective early risk stratification tool that reflects the changes in patient condition and allows better assessment of deterioration risk.

Objective

The aim of this study was to investigate whether utilizing the trend of the modified early warning score (MEWS) level within 4 h of a patient's arrival in the emergency department (ED) could identify patients at risk of clinical deterioration at 8 h after arrival in the ED.

Methods

We conducted a retrospective observational study of non‐trauma patients who had at least two vital sign measurements (Glasgow Coma Scale score, heart rate, blood pressure, respiratory rate, and body temperature) within 8 h of arriving in the ED. The primary outcome was patients who had MEWS ≥ 4 at 8 h after arrival in the ED. We performed multivariate logistic regression analysis using age, sex, MEWS level at arrival in the ED, MEWS level within 4 h after arrival in the ED, and MEWS level trend over time.

Results

Among the 5825 patients, 680 (11.7%) were at risk of deterioration at 8 h after arrival in the ED. To predict the risk of deteriorating conditions (MEWS ≥ 4), utilizing the MEWS level trend within 4 h of arrival in the ED was more effective in identifying patients at risk of deterioration after 8 h of arrival in the ED compared to using a single MEWS value during the ED stay. The corresponding areas under the receiver operating characteristic curve were 0.756 (95% confidence interval (CI) 0.734–0.778) and 0.846 (95% CI 0.827–0.865), respectively (p < 0.01).

Conclusions

The proposed trend‐based predictive model for MEWS levels can alert healthcare personnel regarding patients at increased risk of deterioration (MEWS ≥ 4), potentially reducing mortality rates during ED stays.
The school community's role in addressing vaping: Findings from qualitative research to inform pedagogy, practice and policy
Authors: Thomas Laura , McCausland Kahlia , Leaversuch Francene , Freeman Becky , Wolf Katharina , Leaver Tama , Jancey Jonine
Published: August 2024

Issue Addressed

E‐cigarettes are a significant concern in schools due to their rising use by adolescents. This research aimed to identify current and preferred intervention strategies to respond to vaping in the Western Australian school setting.

Methods

Interviews and focus groups were held with 15 school professionals (leaders, teachers and nurses), parents (n = 12) and students aged 13–17 years (n = 32). Discussions were transcribed verbatim, anonymised and thematically analysed using a deductive approach aligned to the Health Promoting Schools Framework.

Results

Participants suggested that limited and varied attention has been directed towards policy in response to vaping in the school setting. Teaching and learning opportunities existed for students, parents and school professionals, albeit somewhat ad hoc in their approach. Additional training would benefit the whole‐school community (students, parents and staff) to raise awareness of e‐cigarette harms, increase knowledge and build skills in responding to student vaping.

Conclusions

Clearly articulated policies are needed to guide school strategies and actions towards vaping. There needs to be a dedicated, developmentally appropriate, cross‐subject vaping curriculum for students that incorporates mental health outcomes and social skills reinforcement; professional development for school staff; awareness of and access to school‐based health services for help and information; visual cues to de‐normalise vaping and parent and community involvement to support vape‐free school environments.

So What?

Comprehensive prevention activities are required to reduce the uptake of vaping among adolescents. Building students', school professionals' and parents' awareness of vaping and strategies to prevent use will contribute to de‐normalising and reducing this practice among adolescents.
Predictors of post‐exercise affect: A self‐determination theory approach considering physical, social, and psychological factors
Authors: White Rhiannon Lee , Cocker Katrien De , Merom Dafna
Published: August 2024

Background

Studies have shown increases in affect after acute exercise. However, the specific aspects of an exercise experience that predict or contribute to post‐exercise affect remain relatively unknown. This study aimed to determine which physical (i.e., duration and intensity), contextual (i.e., social context and time of day), and psychological factors (i.e., motivation and need satisfaction) predicted post‐exercise affect.

Methods

In 2021, 296 gym users self‐reported affect before and immediately after exercising at a gym facility. Participants also reported situational motivation towards exercise, need satisfaction (i.e., autonomy, competence, and relatedness), who they exercised with (social interaction), and the duration and perceived intensity of their exercise session. We first conducted a paired samples t‐test to identify whether affect significantly increased from before to after exercise, and then a hierarchical regression model to determine which factors predicted post‐exercise affect.

Results

Affect significantly increased from before to after exercise (t[291] = 8.116, p < .001). Autonomous motivation (β = .23, p = <.001), autonomy satisfaction (β = .15, p = <.05), and relatedness satisfaction (β = .19, p = <.01) significantly predicted post‐exercise affect, whereas duration, perceived intensity, social interaction, and time of day did not.

Conclusions

People should be encouraged to engage in activities that satisfy their need for autonomy and relatedness during leisure‐time (i.e., not during the workday).

So What?

This approach to physical activity promotion may lead to better affective outcomes and increased adherence compared to focusing on how long, how intense, or with whom people exercise.
Assessment of dynamic hydrological drought risk from a non‐stationary perspective
Authors: Chen Chen , Peng Tao , Singh Vijay P. , Wang Youxin , Zhang Te , Dong Xiaohua , Lin Qingxia , Guo Jiali , Liu Ji , Fan Tianyi , Wang Gaoxu
Published: August 2024

The stationarity hypothesis of hydrometeorological elements has been questioned in the context of global warming and intense human disturbance. The conventional drought index and methods of frequency analysis may no longer be applicable for hydrological drought risk evaluation under a changing environment. In this study, a new dynamic hydrological drought risk evaluation framework is proposed for application to the Hanjiang River basin (HRB), which simultaneously considers the non‐stationarity in the construction of drought index as well as in the frequency analysis. First, a non‐stationary standardized runoff index (NSRI) is developed using a generalized additive model for location, scale and shape (GAMLSS) framework. Then, hydrological drought characteristics including duration and severity are identified, and their marginal distributions are established. Finally, based on the dynamic copula, considering the non‐stationarity of the dependence structure, the dynamic joint probability distribution, conditional probability distribution and return period of the bivariate hydrological drought properties are analysed. Results showed that NSRI, which integrates the impacts of climate change and anthropogenic activities on the non‐stationarity of runoff series, had a better ability to capture runoff extremes than had SRI. In addition, it is indispensable to consider the non‐stationarity of the dependence structure between variables when discussing the multivariate joint risk of hydrological drought. The risk of hydrological drought in the study area has shown an increasing trend in the past 65 years, and the drought conditions from upstream to downstream have been alleviated first and then intensified. This study provides valuable information for regional drought risk estimation and water resources management from a non‐stationary perspective.
Development of a spontaneous preterm birth predictive model using a panel of serum protein biomarkers for early pregnant women: A nested case–control study
Authors: Liang Shuang , Chen Yuling , Jia Tingting , Chang Ying , Li Wen , Piao Yongjun , Chen Xu
Published: August 2024

Objective

To develop a model based on maternal serum liquid chromatography tandem mass spectrometry (LC–MS/MS) proteins to predict spontaneous preterm birth (sPTB).

Methods

This nested case–control study used the data from a cohort of 2053 women in China from July 1, 2018, to January 31, 2019. In total, 110 singleton pregnancies at 11–13+6 weeks of pregnancy were used for model development and internal validation. A total of 72 pregnancies at 20–32 weeks from an additional cohort of 2167 women were used to evaluate the scalability of the model. Maternal serum samples were analyzed by LC–MS/MS, and a predictive model was developed using machine learning algorithms.

Results

A novel predictive panel with four proteins, including soluble fms‐like tyrosine kinase‐1, matrix metalloproteinase 8, ceruloplasmin, and sex‐hormone‐binding globulin, was developed. The optimal model of logistic regression had an AUC of 0.934, with additional prediction of sPTB in second and third trimester (AUC = 0.868).

Conclusion

First‐trimester modeling based on maternal serum LC–MS/MS identifies pregnant women at risk of sPTB, which may provide utility in identifying women at risk at an early stage of pregnancy before clinical presentation to allow for earlier intervention.