bluuebunny/crossref_metadata_2025_split huggingface dataset:
Seismic facies analysis using chirp sub‐bottom profile data from large sandy‐bed rivers, lower São Francisco River, Northeast Brazil
Authors: Santos Landerlei Almeida , Latrubesse Edgardo Manuel , Zhou Feng 
Published: January 2025

AbstractA chirp sub‐bottom profiler (SBP) system (shallow high‐resolution seismic) was used to characterize the internal architecture of submerged bedforms and fluvial bars of the lower São Francisco River, Northeast Brazil. From upstream to downstream, the area was subdivided into two geomorphic channel reaches: anabranching‐braided; and anabranching‐stable. The uppermost sedimentary layers of the riverbed were analysed. A processing flow (bandpass filtering, automatic gain control, time‐varying gain and stacking) to attenuate the effect of noise, equalize the gain and highlight the internal structures that were not clear in the primary recorded SBP section (envelope mode) was applied. Detailed seismic analysis and description of the SBP seismic profiles allow the interpretation of seven seismic facies. An idealized stage of development for each channel landform is based on the seismic characteristics of the sandy sets of the anabranching‐braided reach. In the anabranching‐stable islands reach, the bedforms have a low degree of preservation. Our result demonstrates that the SBP chirp data is a potential tool that allows the identification and definition of sedimentary facies in large sandy‐bed rivers.
Facile Synthesis of Oxazolidinones as Potential Antibacterial Agents
Authors: Els Secret P. , Govender Kimberleigh B. , Sokhela Mxolisi K. , Bhatt Nilay , Reddy Nakita , Kruger Hendrik G. , Arvidsson Per I. , Gunosewoyo Hendra , Govender Thavendran , Naicker Tricia 
Published: January 2025

AbstractAn efficient microwave‐assisted synthesis route for novel oxazolidinone analogues has been developed. The general synthesis of these compounds began with an L‐proline‐mediated three‐component Mannich reaction between commercially available 3‐fluoro‐4‐morpholinoaniline, aqueous formaldehyde and α‐hydroxyacetone. This was followed by a one‐step cyclisation to form the core structure of oxazolidinone antibiotics which was subsequently derivatized. The novel compounds were evaluated for their antibacterial activity against M. smegmatis. One of the novel oxazolidinone derivatives 18 a1 produced a MIC of 8 mg/L, comparable with the commercial Rifampicin. The methodology is a useful addition to the field since it can make highly sought‐after oxazolidinone derivatives, using cheaper, less harsh commercially available reagents, in a short time and one pot.
Computational Study on the Reaction Mechanism of 5‐Enolpyruvylshikimate‐3‐phosphate Synthase from Nicotiana Tabacum
Authors: Han Qingfang , Lin Beibei , Liu Ziwei , Li Mengsha , Luo Zhaopeng , Xie Xixian , Ma Lijuan , Su Hao , Sheng Xiang 
Published: January 2025

Abstract5‐Enolpyruvylshikimate‐3‐phosphate synthase (EPSPS) catalyzes the conversion of 5‐enolpyruvate (PEP) and shikimic acid phosphate (S3P) to 5‐enolpyruvylshikimic acid‐3‐phosphate (EPSP), releasing inorganic phosphate. This reaction is the sixth step of the shikimate pathway, which is a metabolic pathway used by microorganisms and plants for the biosynthesis of aromatic amino acids and folates but not in mammals. In the present study, the detailed reaction mechanism of EPSPS from Nicotiana tabacum (NtEPSPS) is revealed by quantum chemical calculations with the cluster approach. The reaction is proposed to involve the formation of a carbocation intermediate, the formation of a tetrahedral intermediate, the C−O bond cleavage and the re‐formation of C=C bond. All four steps are concerted processes involving proton transfer events. The calculations suggest a step‐wise mechanism for the formation of the tetrahedral intermediate by the proton transfer from the hydroxyl group of S3P to Asp331 and the nucleophilic attack of hydroxyl group on the carbocation, which is consistent with the proposal in literature. The energy profile for the entire reaction is presented, showing that C−O bond cleavage of the tetrahedral intermediate, releasing phosphate, is the rate‐limiting step. The interaction between the Glu359 residue and the phosphate group is significant in stabilizing the phosphate.
Experiment and Molecular Dynamics Simulation Studies of 3,3′,4,4′‐Biphenyltetracarboxylic Dianhydride‐Based Transparent Polyimide Films Containing Ether and Sulfone Linkages in the Diamine Monomer
Authors: Ma Hansol , Jee Min Ho , Baik Doo Hyun 
Published: January 2025

ABSTRACTIn this study, we report experimental observations and molecular dynamics (MD) simulation results for two transparent polyimide (PI) systems that use 3,3′,4,4′‐biphenyltetracarboxylic dianhydride (BPDA) as the dianhydride monomer and bis[4‐(4‐aminophenoxy)phenyl] sulfone (p‐BAPS) and bis[4‐(3‐aminophenoxy)phenyl] sulfone (m‐BAPS), which contain both ether (O) and sulfone (SO2) groups, as the diamine monomers. FT‐IR structural analysis clearly shows that the PI films used in this study were successfully synthesized and fabricated. In addition, the DSC and TGA analysis results clearly indicate that the PI film based on BPDA/p‐BAPS has a higher Tg and greater thermal stability than the PI film based on BPDA/m‐BAPS, which appears to be due to the structural differences in the benzene ring substitution of the diamine monomers on p‐BAPS and m‐BAPS. Additionally, the two PI films fabricated in this study exhibited relatively high transmittance, ranging from 85% to 87% at 500 nm. Finally, although small‐scale MD simulations were performed in this study, it was nonetheless confirmed that the overall motion of PI molecules and gases within the amorphous PI cell can be influenced by the structural characteristics of diamine monomers such as p‐BAPS and m‐BAPS.
High‐Dose Cyproterone Acetate and Intracranial Meningioma: Impact of the Risk Minimisation Measures Implemented in France in 2018–2019
Authors: Roland Noémie , Neumann Anke , Baricault Bérangère , Dayani Pauline , Duranteau Lise , Fontanel Sylvie , Yoldjian Isabelle , Froelich Sébastien , Zureik Mahmoud , Weill Alain 
Published: January 2025

ABSTRACTPurposeTo measure the impact of national regulatory actions implemented in France in August 2018 and June 2019 to reduce the risk of meningioma associated with the use of cyproterone acetate (CPA).MethodsUsing the French National Healthcare database, we calculated the monthly number of CPA users among cisgender women, men and transgender women in 2010–2021, the monthly proportion of users with cerebral imaging screening, and the annual rate of meningioma surgery associated with CPA use. CPA discontinuations and switches were analysed.ResultsBetween 2018 and 2021, the number of individuals exposed to CPA fell by 85% (55 000 in August 2018 versus 7900 users of high‐dose CPA in December 2021), corresponding to two waves of decrease in both use and initiation. This drop was greater among cisgender women (88%) than men (69%) or transgender women (50%). Cerebral imaging screening increased from 11% in June 2018 to 70% in June 2021 for ciswomen (13%–51% for men, 9%–60% for transwomen). After CPA discontinuation, no massive shift to a single product was observed, but, instead, dispersion towards other hormonal therapies. The overall annual rate of meningioma surgery associated with CPA exposure spectacularly decreased between 2017 and 2021 (−93% for ciswomen and −86% for men).ConclusionIn France, high‐dose CPA use sharply decreased after the implementation of national regulatory measures without a massive switch to other hormonal therapies. The increase in cerebral imaging screening did not result in an increase in meningioma surgery associated with CPA, but rather a massive drop of over 90%.
Edible Nanocoating of Dextran/Lipid and Curcumin for Enhanced Shelf Life of Fresh Produce
Authors: Kabdrakhmanova Sana , Augustine Robin , Sathian Aiswarya , Thomas Annu , Joseph Tomy Muringayil , Kalarikkal Nandakumar , Ibraeva Zhanar , Madiyar Beisebekov , Thomas Sabu , Hasan Anwarul , Joshy K. S. 
Published: January 2025

ABSTRACTThe purpose of the present study was to develop a nano‐coating for fresh vegetables and fruits using a combination of curcumin, sesame oil, stearic acid, and dextran (CSSDNs). The anti‐bacterial and nontoxic nature of nanoparticles were tested against Gram‐positive bacteria (Staphylococcusaureus) and human fibroblast cells. Enhanced aqueous solubility of curcumin and its stability in the bloodstream were observed from the in vitro blood compatibility studies. The anti‐cancer activity of curcumin‐loaded nanoparticles was tested against SK‐BR3 cells, demonstrating excellent antitumor activity. These findings indicate that the CSSDNs system can be used as an edible coating with strong antibacterial properties and as an effective means of delivering curcumin, which has proven to be successful in treating or preventing cancer.
AIE‐Active CO₂‐Based Polycarbonate: A Fluorescent Probe for Sensitive Detection of Mn(VII), Cr(VI)
Authors: Liu Xin‐Yi , Wang Wen‐Zhen , Jia Xin‐Gang , Wang Qian , Huang Qing , Li Lei‐Lei , Mao Zheng‐Hao , Zhang Da‐Ke , Chen Huan‐Ping , Zheng Xin‐Peng , Zhao Chen‐ 
Published: January 2025

ABSTRACTExcessive Mn(VII) and Cr(VI) ions threaten environmental safety and public health. As a result, effective environmental water quality monitoring is required, and the development of materials for rapid and precise detection of hazardous ions in aqueous solutions is imperative. In this study, carbon dioxide‐based polycarbonates containing tetraphenylethylene skeletons‐based groups (herein referred to as PPCTs) were synthesized in an unprecedented one‐pot method using 4‐(1,2,2‐triphenylethenyl) phenol (T) as the monomer with carbon dioxide and propylene oxide. Fluorescence characterization indicated that modified PPCT retained the aggregation‐induced luminescence properties of T. A significant overlap was observed between the ultraviolet absorption bands of the polymer and the MnO42−, and Cr2O72− ions, inducing an internal filter effect that resulted in fluorescence quenching of the PPCT solution. The probe demonstrated specific selectivity against interference, as well as high sensitivity toward these anions, with limits of detection as low as 47.8 nM, 0.438 μM, and 1.12 μM, respectively. Furthermore, the modified PPCT demonstrated enhanced thermal properties compared with those of conventional PPC materials, which are crucial for its application in harsh environments. This innovative material synthesized using CO2 offers a new approach to ion detection in real samples and broadens the scope of poly(propylene carbonate) in fluorescence sensing applications.
Exploring Patient‐Related Contextual Factors and Personal Reflections About the Managing Cancer and Living Meaningfully (CALM) Intervention for Adults With Advanced Cancer in Metropolitan and Non‐Metropolitan Southern Alberta: A Mixed Methods Study
Authors: Sears Carly , Strohschein Fay , Patten Scott , Feldstain Andrea , Simon Jessica , de Groot Janet 
Published: January 2025

ABSTRACTBackgroundThe evidence‐based Managing Cancer and Living Meaningfully (CALM) psychotherapeutic intervention was designed to address the complex needs of those with advanced cancer. Ample evidence supports the efficacy of CALM therapy; less is known about the patient‐specific factors that influence initiation and continuation of CALM sessions.AimsTo gain understanding of patient‐specific factors and referral routes that influence initiation and continuation of CALM.MethodsAn Interpretive Description framework and concurrent triangulation mixed‐methods design was used to analyse baseline patient‐specific variables for prediction of engagement (number of sessions) in CALM following recruitment from cancer centres, palliative care services, and community cancer care organisations across Southern Alberta, Canada. Patient input (n = 10) occurred through semi‐structured interviews exploring experiences with advanced cancer, CALM referral and engagement.ResultsAmong consented individuals (n = 69), those directly referred by healthcare providers (HCPs) and self‐referred (total n = 32), engaged in more CALM sessions (M = 4.97, SD = 3.51) than those referred indirectly (M = 3.19, SD = 2.26, p < 0.05), particularly younger participants (< 65 years) and those with longer life expectancy (> 10 months). Participants chose CALM based on experiences of distress, wanting to talk openly, and expecting benefit.ConclusionsGreater patient engagement in the CALM intervention following HCPs' direct referrals may be based on trust in the HCP‐patient relationship, and accurately prognosticating sufficient physical well‐being for participation and benefit. Future health systems research may evaluate systematic programing with offering CALM referrals following an advanced cancer diagnosis.
A Multimethod Investigation of the Lake Agnes Rock Glacier, Colorado, USA
Authors: Rick Brianna , McGrath Daniel , Lehmann Benjamin , Fegel Timothy , Williams Keith , Anderson Suzanne 
Published: January 2025

ABSTRACTRock glaciers are important headwater landforms that play a key role in alpine hydrology. North American rock glaciers are estimated to contain the third largest water volume equivalent globally, and over 3800 rock glaciers have been mapped in Colorado alone. However, these features are often overlooked in alpine water budgets. In this study, we present initial results using geophysical, hydrochemical, and repeat structure from motion data to investigate the ice presence, downslope movement, and influence on stream chemistry of the Lake Agnes rock glacier in the northern Front Range, Colorado, USA. We measured an average velocity of 23 ± 4 cm year−1 in the upper 400 m of the rock glacier, with maximum velocities up to 36 ± 4 cm year−1. Rock glacier–fed streams (n = 2) near the spring remained below 2.5°C throughout the summer, mixed‐source streams (n = 3) remained below 3.5°C, and a non–rock glacier stream (n = 1) reached 13.5°C. Rock glacier streams additionally recorded elevated ion concentrations and pH relative to the mixed‐source and lake–fed streams. Geophysical surveys suggest that the rock glacier has an internal structure consisting of a ~3‐m‐thick active layer, underlain by an ice‐poor layer up to 10 m thick and by an ice‐rich layer up to 18 m thick, with total rock glacier thickness between 20 and 30 m. This study supports the presence of ice within the Lake Agnes rock glacier and documents the rock glacier's influence on basin hydrochemistry. In many basins, including Lake Agnes, the reduced climate sensitivity of rock glaciers and their sustained cold‐water input to mountain streams will likely provide a refuge for cold‐water species in a warming climate.
Scale‐by‐scale budget of turbulence kinetic energy in the convective atmospheric boundary layer: Analysis of structure functions
Authors: Nowak Jakub L. , Wacławczyk Marta , Vassilicos John. C. , Król Stanisław , Malinowski Szymon P. 
Published: January 2025

AbstractWe investigate the scale‐by‐scale budget of turbulence kinetic energy in convective atmospheric boundary layers using airborne measurements performed in the shallow trade‐wind regime over the ocean by the ATR 42 aircraft during the Elucidating the Role of Cloud–Circulation Coupling in Climate (EUREC4A) measurement campaign. The simple and repeatable flight pattern sampled four altitude levels: near‐surface, the middle and top of the subcloud layer, and the cloud base. This approach provides acceptable statistical convergence, including mixed velocity–temperature and third‐order velocity structure functions. The scale‐by‐scale budget obtained from the data is approximately closed up to length‐scales of about 200 m at all four levels. At the near‐surface and mid‐subcloud levels, the buoyancy forcing supplies energy to the largest scales and becomes negligible at smaller scales. As a result, Kolmogorov equilibrium is observed over a wide range of scales, from a few to about 100 m. On the other hand, at the top‐subcloud and cloud‐base levels, the budget at scales above 10 m is far from Kolmogorov equilibrium, with a significant contribution of buoyancy forcing and turbulent transport. The contribution to the buoyancy forcing related to humidity variations is substantial and strictly positive at all four levels, even at the cloud base, where it balances the negative contribution related to temperature only.
A Regional Analysis of Trace Element Water Chemistry With Applications for Reconstructing Environmental Life History of Fishes
Authors: Hamel Martin J. , Gerrin Wesley L. 
Published: January 2025

ABSTRACTTrace elements and minerals can be important for physiological and biochemical functions in aquatic organisms and are also permanently retained in metabolically inert structures in fish, such as otoliths, which can be examined to reconstruct environmental history. Despite the importance of trace elements for biological function and environmental reconstruction, their distribution and dynamics in river systems is poorly understood. The objective of our study was to quantify trace element concentration data from across 14 river basins in Georgia, USA to create elemental concentration profiles and illustrate how spatial changes in water chemistry can be used to construct research hypotheses or make management decisions using results from chemical analyses on hard calcified parts of fish. Principal component analysis revealed substantial variation in water chemistry among and with river basins. Pairwise comparisons of Strontium:Calcium and Barium:Calcium ratios were useful in quantifying specific differences among river systems within river basins. These data will be useful for establishing a baseline for long‐term water chemistry monitoring and provides a framework for future fish chemistry research.
A Prioritization Method for Sustainable Food Waste Reduction Practices
Authors: Moraes Natália Valmorbida , Costa Fernandes Sânia da , Gularte Aline Cafruni , da Rocha Cecília Gravina , Echeveste Márcia Elisa 
Published: January 2025

ABSTRACTAmid growing concerns over food waste, effective waste management practices in the food service sector have become increasingly needed. Limited research exists on prioritizing and implementing sustainable food waste reduction practices within this sector. This study develops a method to guide decision‐makers in identifying and prioritizing impactful practices to prevent and minimize food waste. Using Design Science Research, a pilot application case was conducted in southern Brazil. This study introduces the Food Waste Reduction Action Guide, a structured and evidence‐based approach comprising two phases: a food waste audit and practices prioritization. The method quantifies food waste, assesses the efficacy and ease of implementation of reduction practices, and visually sequences them. The method aligns with Target 12.3 of the Ssustainable Ddevelopment Goal (SDG) 12 by unveiling empirical evidence, supporting efforts to scale up food waste reduction across preparation and consumption phases through an actionable guide.
Investigation of Magnetism and Photocatalytic Activity Using Biomass‐Derived Carbon Dots
Authors: Tripti  , Singh Permender , Rani Sapana , Singh Saurabh , Kumar Lalit , Gupta Vishal , Kumar Sandeep , Kumar Parmod 
Published: January 2025

AbstractA cost‐effective and green synthesis method was adopted for the synthesis of carbon dots (CDs) using easily available biomass, namely, Triticum (wheat), by varying the pyrolysis time. The synthesized CDs are labeled as A 1h, A 2h, and A 3h, respectively, where “A” represents the raw material, and “1h,” “2h,” and “3h” denote the respective pyrolysis time. XRD analysis reveals the turbostratic nature of the synthesized CDs. The size and shape of synthesized samples were visualized by HRTEM images. The bandgap was calculated by Tauc's plot and was determined to be 3.66, 5.08, and 4.89 eV for A 1h, A 2h, and A 3h, respectively. FTIR measurement analyzed the functional groups present on the surface of CDs. VSM measurement confirms the ferromagnetic behavior of CDs. Synthesized CDs have been used for photocatalytic degradation of rose bengal (RB) dye under UV light irradiation. Photocatalytic degradation increases with a decrease in bandgap and the maximum degradation efficiency (90.28%) was obtained for A 1h sample.
Uncovering the Natural Inhibitors From Medicinal Plants to Alleviate Human Cancers Targeting the p53 Protein: An In Silico Approach
Authors: Islam Md. Tarikul , Raihan Md. Obayed , Akter Ayesha , Ferdous Jannatul , Begum Sufia , Rakib Md Asaduzzaman , Molla Nazim Uddin , Datta Paheli , Sikdar Bratati , Rehman Saira , Hasan Md. Touhid , Rayhan Rifat , El‐Shazly Mohamed , Al‐Ghadi Muath Q. , Abdel‐Daim Mohamed M. , Aktaruzzaman Md. 
Published: January 2025

AbstractThe tumor suppressor p53 protein plays a key role in controlling several essential cellular responses, including cell growth, development, and apoptosis, helping to prevent cancer development. In various cancers, loss of p53 function results in prolonged cell replication and inhibition of programmed cell death. There are a few options available to target p53, but they come with limitations. For this reason, there is a need for novel drug candidates to maintain p53 functionality. Therefore, our study aims to identify potential natural bioactive compounds through comprehensive in silico methods such as molecular docking, MM/GBSA (molecular mechanics generalized born surface area), ADME/T (absorption, distribution, metabolism, excretion, and toxicity), and molecular dynamics (MD) simulation against the targeted protein p53. Initially, 462 phytochemicals from 23 medicinal plants were screened using molecular docking and MM‐GBSA studies to find potential phytochemicals. From the studies, the top three compounds, CID‐3469, CID‐5280372, and CID‐591524, were selected based on their good binding affinities for further investigation, where all the compounds showed better drug‐likeness with no toxicity in ADME/T analysis. MD simulation depicted better structural stability of phytocompounds in complexes with p53 protein. This study shows novel insights into the development of novel bioactive compounds as drug candidates for cancer treatment.
Influence of Sacrificial Reagents on the Photoelectrocatalytic Performance of Titanium Dioxide Nanotube Arrays for Hydrogen Production
Authors: Freitas Denilson V. , Ferreira Wellington S. , Ribeiro Francisco A. S. , Oliveira Luana B. C. , Alves Otávio A. L. , Sousa Felipe L. N. , Maciel Leonardo J. L. , Machado Giovanna 
Published: January 2025

AbstractPhotoelectrochemical water splitting offers a synergistic method for producing hydrogen using solar energy and an external bias with no emissions. Since the water oxidation process is a limiting factor in the hydrogen production rate, the use of efficient hole scavengers is crucial for enhancing system performance. This study evaluated the performance of titanium dioxide nanotubes (TiO2 NTs) using different hole scavengers in comparison to sodium sulfate. All the evaluated hole scavengers achieved higher photocurrent densities than sodium sulfate with performance ordered as follows: glycerol > glucose > triethanolamine > methanol > sodium sulfite > ethanol >> sodium sulfate. Regarding the hydrogen production rate, glycerol achieved 0.292 mL cm−2 h−1, a value 32.5 times higher than that obtained with sodium sulfate (0.009 mL cm−2 h−1). Structural characteristics, such as the presence of hydrogen atoms adjacent to alcohol groups (α‐H), the carbon‐to‐oxygen atom ratio (C:O), solvent polarizability, and redox potential were fundamental for understanding the role of hole scavengers. These findings validate the enhancement of the photoelectrocatalytic process by hole scavengers, supported by the thermodynamically favorable electron transfers facilitated by organic molecules with higher polarization, a low C:O ratio, and rich presence of α‐H.