bluuebunny/crossref_metadata_2025_split huggingface dataset:
Predictive Significance of Combined Plasmatic Detection of BRAF Mutations and S100B Tumor Marker in Early‐Stage Malignant Melanoma
Authors: Polivka Jiri , Gouda Mohamed A. , Sharif Mahyar , Pesta Martin , Huang Helen , Treskova Inka , Woznica Vlastimil , Windrichova Jindra , Houfkova Katerina , Kucera Radek , Fikrle Tomas , Ricar Jan , Pivovarcikova Kristyna , Topolcan Ondrej , Janku Filip 
Published: October 2024

ABSTRACTBackgroundMelanoma is the most aggressive skin cancer with ability to recur also after early‐stage tumor surgery. The aim was to identify early‐stage melanoma patients at high risk of recurrence using liquid biopsy, estimating of mutated BRAF ctDNA and the level of tumor marker S100B in plasma.MethodsEighty patients were enrolled in the study. BRAF V600E mutation was determined in FFPE tissue and plasma samples using ultrasensitive ddPCR with pre‐amplification. The level of S100B was determined in plasma by immunoassay chemiluminescent method.ResultsThe best prediction of melanoma recurrence after surgery was observed in patients with combined high level of S100B (S100Bhigh) and ctDNA BRAFV600E (BRAFmut) in preoperative (57.1% vs. 12.5%, p = 0.025) as well as postoperative blood samples (83.3% vs. 14.3%, resp., p = 0.001) in comparison with low S100B and BRAF wild‐type. Similarly, patients with preoperative and postoperative S100Bhigh and BRAFmut experienced worse prognosis (DFI p = 0.05, OS p = 0.131 and DFI p = 0.001, OS = 0.001, resp.).ConclusionWe observed the benefit of the estimation of combination of S100B and ctDNA BRAFmut in peripheral blood for identification of patients at high risk of recurrence and unfavorable prognosis.SignificanceThere is still no general consensus on molecular markers for deciding the appropriateness of adjuvant treatment of early‐stage melanoma. We have shown for the first time that the combined determination of the ctDNA BRAFmut oncogene (liquid biopsy) and the high level of tumor marker S100B in pre‐ and postoperative plasma samples can identify patients with the worst prognosis and the highest risk of tumor recurrence. Therefore, modern adjuvant therapy would be appropriate for these patients with resectable melanoma, regardless of disease stage.
Untargeted Metabolomics Analysis Using FTIR and LC‐HRMS for Differentiating Sonchus arvensis Plant Parts and Evaluating Their Biological Activity
Authors: Maslahat Mamay , Mardinata Dion , Surur Siti Maspupatu , Lioe Hanifah Nuryani , Syafitri Utami Dyah , Rafi Mohamad , Rohaeti Eti 
Published: October 2024

AbstractThe composition and concentration of compounds in medicinal plants vary based on several factors, including the specific part of the plant being used. These variations in composition and concentration lead to differences in biological activity levels. In this study, we aimed to assess the phytochemical profile of Sonchus arvensis and to investigate the biological activity of different plant parts (roots, stems, and leaves) using a metabolomics approach. We analyzed the plant extracts for total phenolic and flavonoid levels, antioxidant activity, and xanthine oxidase inhibition. We also conducted metabolite profiling using Fourier‐transform infrared spectroscopy and liquid chromatography‐high resolution mass spectrometry. A total of 17 metabolites were identified (13 in leaves, 10 in stems, and 9 in roots). Principal component analysis effectively differentiated S. arvensis extracts based on differences in plant parts. These findings indicate that the quantity and diversity of metabolites present in the roots, stems, and leaves influence the biological activity of S. arvensis.
In‐silico and In‐vitro Investigation of Flavonoids and Alkaloids from Artocarpus heterophyllus, Tinospora cordifolia, and Glycosmis pentaphylla as Potential NF‐κB Inhibitors in Oral Cancer
Authors: Gotsurve Komal Nagesh , Das Joyeeta , Kutre Suraj , Teja Parusu Kavya , Rathod Rajeshwari , Chauthe Siddheshwar K. , Behera Santosh Kumar 
Published: October 2024

AbstractOral cancer is a global health concern, particularly because of its aggressive tissue invasion and metastases, holding 16th position on occurrence among all carcinoma worldwide. The aberrated transcription factor NF‐κB1 influences development and spread of oral cancer, making it a potential therapeutic target. This study investigated the therapeutic potential of a few natural compounds from Artocarpus heterophyllus, Tinospora cordifolia, and Glycosmis pentaphylla in the treatment of oral cancer. Two FDA‐approved drugs (5‐fluorouracil, Docetaxel) and 16 natural compounds, including Artocarpin, Artocarpanone, Cycloartocarpin from Artocarpus heterophyllus; Berberine, Hydrastine, Magnoflorine, Palmatine Chloride, Tetrahydropalmatine from Tinospora cordifolia; and 5‐Hydroxyarborinine, 5‐Hydroxynoracronycine, 1‐Hydroxy‐3‐methoxy‐10‐methyl‐9‐acridone, Des‐N‐methylacronycine, Des‐N‐methylnoracronycine, Kokusagenine, Noracronycin, Skimmianine from Glycosmis pentaphylla were examined using in‐silico techniques. Among the 16 natural compounds studied, Hydrastine shown the highest binding energy (−6.87 kcal/mol) against NF‐κB1, surpassing all other drugs, including the standards 5‐fluorouracil (−4.04 kcal/mol) and docetaxel (−2.4 kcal/mol). Further molecular dynamics simulations and in‐vitro experiments verified Hydrastine's exceptional anti‐cancer activity. The results of in‐vitro were well‐aligned with the findings of in‐silico, revealing considerable cytotoxicity, apoptosis induction, and cell cycle arrest. The findings revealed natural compounds’ potential as safer, more effective alternatives to current cancer therapeutics, opening up new avenues for oral cancer treatment.
An Expanded Substrate Spectrum of Sulfide:Quinone Oxidoreductase Found in Pollutant Degrading Bacteria
Authors: Fang Shiqi , Lu Jinfeng , Zhou Wenwen , Sun Chao , Chen Guoqing , Tang Yuhang , Chen Dongzhi , Li Jun 
Published: October 2024

AbstractSulfide:Quinone Oxidoreductase (Sqr) Catalyzes The Initial Procedure On Sulfide Transformation, Alongside Sulfide (H2S, S2−) Oxidization Coupled With Coenzyme Q (CoQ) Reducing And Reactive Sulfur Species (RSS) Production. Here, We Assessed The Reactivity Of Propanethiol (PT) As An Alternative Substrate For Sqr To Maintain Intracellular Homeostasis In Strain S‐1 Capable Of Degrading Emerging Sulfur‐Containing Pollutants. We Deleted A Gene Encoding Sqr, And Serial Transcriptional Difference Induced By RSS Dynamics Was Therefore Revealed. Next, The Reaction Properties Of Two Sqr Homologs From Strains JMP134 And S‐1 Were Comparatively Characterized, Respectively. As A Result, An Additional Role Of Sqr In Yielding RSS From PT Was Found In Reaction Mixture Prepared By Cell‐Free Extracts Or Purified Enzymes. Interestingly, The Transformation Velocity Of PT By Sqr Was Slower Than That Of Sulfides. From This Scenario, It Was A Rate‐Determining Step That PT As A Nucleophilic Compound Can Be Added Into Sqr Cysteine To Form Disulfide Bond And Likely Serve Nonoptimal Sulfur Recipient. In Addition, The Role Of Persulfidation Driven By RSS In Combating Oxidative And Sulfur Stresses Required To Be Further Clarified. Nevertheless, This Promiscuity Of Sqr‐Binding Organosulfur Compounds And Its Catalytic Modulation Underscored That Expanded Substrates Might Benefit Sulfide Homeostasis In Thiol‐Degrading Bacteria.
Neuroendocrine tumor mimicking a recalcitrant vocal fold granuloma: Appearances can be deceiving
Authors: Lazzeroni Matteo , Pini Giuditta , Solimeno Lorenzo Salvatore , Pescia Carlo , Runza Letterio , Pignataro Lorenzo , Cantarella Giovanna 
Published: October 2024

Key Clinical MessagePosterior glottic lesions resembling granulomas unresponsive to conservative treatment should raise suspicion of a neoplastic condition. Although surgery is rarely recommended for arytenoid granulomas due to their high recurrence rate, histological evaluation is mandatory in cases of uncertain diagnosis. Clinicians should be aware that, although very rare, a laryngeal neuroendocrine tumor occurring in the posterior glottis can mimic the appearance of an idiopathic granuloma, presenting a diagnostic challenge.
A case of spinal metastasis with osteoblastic lesion: The risk of epidural extension and paralysis
Authors: Ino Tasuku , Toda Yu , Hirata Hirohito , Yoshihara Tomohito , Tsukamoto Masatsugu , Mawatari Masaaki , Morimoto Tadatsugu 
Published: October 2024

Key Clinical MessageOne patient with metastatic spinal tumors from colorectal cancer experienced malignant spinal cord compression (MSCC). Determining the extent of the lesion using magnetic resonance imaging is essential, even if the lesion is osteoblastic. Therefore, it is important to evaluate the risk of MSCC in patients with metastatic spinal tumors.
Palladium‐Catalyzed Regioselective C(4)−H Fluoroalkoxylation of Indoles Through Weak Chelation Assistance
Authors: Vijaykumar Muniyappa , Gonnade Rajesh G. , Punji Benudhar 
Published: October 2024

AbstractInstalling fluoroalkyl motifs into biorelevant indoles is particularly interesting due to their ubiquitous presence in drug molecules. Herein, we demonstrate the regioselective C4 fluoroalkoxylation of indoles using fluoroalcohols via palladium‐catalyzed chelation‐assisted C─H activation. The weak chelating benzoyl moiety at the C3 position acts as a directing group for remote C(4)─H fluoroalkoxylation of diversely substituted indoles. This methodology demonstrates a high level of regioselectivity and tolerates a range of crucial functional groups, yielding diverse trifluoroalkoxylated indoles in moderate to good yields. Removal of directing/protecting groups and further functionalization established the synthetic utility of the methodology. A preliminary mechanistic investigation is conducted by isolating the palladacycle intermediate and performing the deuterium scrambling study.
Water Chemistry at the Nanoscale: Clues for Resolving the “Water Paradox” Underlying the Emergence of Life
Authors: Lee Hye‐Eun , Russell Michael , Nakamura Ryuhei 
Published: October 2024

AbstractWater is the most common, yet highly peculiar, liquid on Earth. Biological systems manipulate the properties of water to perform reactions that are extremely difficult in synthetic chemistry. One such example is polymerization, which is essential for life and requires the removal of water; however, the removal of water adversely affects the redox reactions that harness the free energy to sustain life. This dichotomy in the water chemistry of life is referred to as the “water paradox”, which remains an unsolved puzzle in the origins of life research. In the present concept paper, we propose that the water paradox may be resolved if anomalous water behavior, including the extremely low dielectric constant and modulation of the enthalpy‐entropy compensation relationship arising from nanoscale confinement, are considered. The unique properties of confined water allow for polymerization reactions to proceed even in water‐rich hydrothermal vent (HV) environments due to the structurally aligned nanopores within HV walls. Studies of how structural changes in water networks in nano‐spaces affect catalysis and free energy exchange represent the next frontier in the field of origins of life research and synthetic chemistry.
Designing Alkylammonium Cations for Enhanced Solubility of Anionic Active Materials in Redox Flow Batteries: The Role of Bulk and Chain Length
Authors: Visayas Benjoe Rey B. , Pahari Shyam K. , Poudel Tulsi M. , Golen James A. , Cappillino Patrick J. , Mayes Maricris L. 
Published: October 2024

AbstractAdvancing grid‐scale energy storage technologies is crucial for realizing a fully renewable energy landscape, with non‐aqueous redox flow batteries (NRFBs) presenting a promising solution. One of the current challenges in NRFBs stems from the low energy density of redox active materials, primarily due to their limited solubility in non‐aqueous solvents. Herein, this study explores the solubility of vanadium(IV/V) bis‐hydroxyiminodiacetate (VBH) crystals in acetonitrile, aiming to use them as anionic catholytes in NRFBs. We focused on enhancing VBH solubility by modifying the structure of the alkylammonium cation. Employing periodic density functional theory and a solvation model, we calculated the dissolution free energy
), which includes sublimation (
) and solvation (
) energies. Our results indicate that neither elongating straight‐chain alkyl groups beyond a tetrabutylammonium baseline nor introducing bulky substituents at the nitrogen center significantly enhances solubility. However, the introduction of carbon spacers combined with terminal bulky substituents markedly improves solubility by favorably altering both
and
. These findings underline the nuanced impact of cation structure on solubility and suggest a viable approach to optimize VBH‐based anionic catholytes. This advancement promises to enhance NRFB efficiency and sustainability, marking a significant step forward in energy storage technology.
Science‐Based Mobile Apps for Reducing Anxiety: A Systematic Review and Meta‐Analysis
Authors: Doğan Türkan , Koçtürk Nilüfer , Akın Ercan , Kurnaz M. Furkan , Öztürk Cemile Dur , Şen Ali , Yalçın Mehmet 
Published: October 2024

ABSTRACTThis systematic review and meta‐analysis examines the effectiveness of science‐based mobile apps for reducing anxiety. A systematic review was employed to identify experimental studies on science‐based mobile applications developed anxiety disorders. International databases such as PubMed, Web of Science, SCOPUS and ProQuest were searched to locate relevant articles. After the systematic review, 16 (k = 20) experimental studies on the effectiveness of science‐based mobile apps for reducing anxiety that met the inclusion criteria were included in the meta‐analysis study. The analysis findings concluded that science‐based mobile apps have a noteworthy impact on reducing anxiety symptoms. Additionally, the moderator analysis indicated that various factors, including participant characteristics (such as gender and age), methodological factors (such as the measurement tool for anxiety and type of control group) and the intervention duration, play a crucial role in this impact. These findings suggest that science‐based mobile apps can provide a helpful tool for individuals seeking to manage their anxiety symptoms and that a range of therapeutic techniques, such as mindfulness, cognitive restructuring and psychoeducation, can be effectively employed in these apps.
Elite germplasm introduction, training set composition, and genetic optimization algorithms effect on genomic selection‐based breeding programs
Authors: Fritsche‐Neto Roberto , Yassue Rafael Massahiro , da Silva Allison Vieira , Prado Melina , DoVale Júlio César 
Published: October 2024

AbstractIn genomic selection (GS), the prediction accuracy is heavily influenced by the composition of the training set (TS). Currently, two primary strategies for building TS are used: one involves accumulating historical phenotypic records from multiple years, while the other is the “test‐and‐shelf” approach. Additionally, studies have suggested that optimizing TS composition using genetic algorithms can improve the accuracy of prediction models. Most breeders operate in open systems, introducing new genetic variability into their populations as needed. However, the impact of elite germplasm introduction in GS models remains unclear. Therefore, we conducted a case study in self‐pollinated crops using stochastic simulations to understand the effects of elite germplasm introduction, TS composition, and its optimization in long‐term breeding programs. Overall, introducing external elite germplasm reduces the prediction accuracy. In this context, test and shelf seem more stable regarding accuracy in dealing with introductions despite the origin and rate, being useful in programs where the introductions come from different sources over the years. Conversely, using historical data, if the introductions come from the same source over the cycles, this negative effect is reduced as long as the cycles and this approach become the best. Thus, it may support public breeding programs in establishing networks of collaborations where the exchange of germplasm will occur at a predefined rate and flow. In either case, the use of algorithms of optimization to trim the genetic variability does not bring a substantial advantage in the medium to long term.
Magnetic Supraparticles as Identifiers in Single‐Layer Lithium‐Ion Battery Pouch Cells
Authors: Deuso Sara Li , Ziegler Simon , Weber Daniel , Breuer Felix , Haddad Daniel , Müssig Stephan , Flegler Andreas , Giffin Guinevere A. , Mandel Karl 
Published: October 2024

AbstractThe development of effective recycling technologies is essential for the recovery and reuse of the raw materials required for lithium‐ion batteries (LIBs). Future recycling processes depend on accessible information, necessitating the implementation of a digital battery passport. The European battery regulation mandates the use of a machine‐readable identifier physically attached to the batteries for accessing digital information. Since externally applied optical labels are vulnerable to mechanical damage, technologies for identification without these restrictions could be beneficial. This study demonstrates that magnetic supraparticles (SPs) can be used for contactless identification of lithium nickel manganese cobalt oxide (NMC) battery pouch cells via magnetic particle spectroscopy (MPS) and that multiple pouch cells can be discriminated based on their specific magnetic code. A comparison of three independent model scenarios revealed that the detection of SPs and the impact on cell performance are dependent on the integration location. The results validate the concept of magnetic identification in metallic environments with MPS as an alternative to optical labeling methods. This study provides a foundation for the development of a new selective labeling and identification technology for batteries, with the potential to facilitate recycling and contribute to a more sustainable future.
Precursor Development and Aerosol‐Assisted Chemical Vapour Deposition for BiVO4 and W‐Doped BiVO4 Photoanodes: A Universal Ligand Approach
Authors: Harris‐Lee Thom R. , Surman Matthew K. , Straiton Andrew J. , Marken Frank , Johnson Andrew L. 
Published: October 2024

AbstractGreen hydrogen production is a key area of importance for advancing into a completely sustainable world, not only for its use in industry and ammonia production, but also for its potential as a new fuel. One promising method for generating green hydrogen is light‐driven water splitting using photoelectrodes. Here, a bismuth vanadate (BiVO4) photoanode deposition process was developed using new, bespoke dual‐source precursors, tailored for use in aerosol‐assisted chemical vapour deposition (AACVD). The resulting thin films were highly nanostructured and consisted of phase‐pure monoclinic BiVO4. Pristine films under 1 sun solar irradiation yielded photocurrent densities of 1.23 mA cm−2 at 1.23 V vs RHE and a peak incident photon‐electron conversion efficiency (IPCE) of 82 % at 674 nm, the highest performance of any CVD‐grown BiVO4 film to date. A new, AACVD‐compatible WO3 precursor was subsequently designed and synthesised for the deposition of W‐doped BiVO4 within the same single deposition step.
A low‐RCS dual‐bandstop golden ratio‐based fractal‐FSS for defense applications
Authors: Solunke Yogesh , Kothari Ashwin 
Published: October 2024

AbstractA single‐layer, dual‐band, low‐profile golden‐frequency selective surface (G‐FSS) for electromagnetic wave shielding in defense applications is presented in this study. The unit cells, based on a golden ratio fractal design and incorporating stub‐shaped conducting strips, have been carefully designed and fabricated. The designed G‐FSS structure was built on an FR‐4 substrate, and its performance was tested in an anechoic chamber. The G‐FSS has two stop bands at 5.68 and 8.75 GHz, which shield devices operating in the C‐band and X‐band frequency ranges. The unit cell size of the proposed G‐FSS considering is the wavelength of the first resonant frequency is . The dual‐band frequency selective surface (FSS) is designed symmetrically, which results in a consistent stop‐band response for both transverse electric (TE) and transverse magnetic (TM) modes, and it also demonstrates high stability across different angles. Also, a characteristics modal analysis with conformal and radar cross‐section (RCS) analysis was performed to validate the structure. The simulation results closely match the experimental findings, indicating strong consistency between the two data sets.
Performance Analysis of a CR‐Enabled Energy‐Efficient Device‐to‐Device Network With Ambient Backscattering and NOMA
Authors: Chidambaram Saranya K. , Nallagonda Srinivas , Choukiker Yogesh K. , Bhowmick Abhijit 
Published: October 2024

ABSTRACTA cooperative device‐to‐device (D2D) communication system with cognitive radio (CR) enabled that integrates ambient backscattering (AB) and energy harvesting is studied in this paper. Cellular network (CN) resources are exploited by D2D users. The transmission between source and destinations is hybrid (overlay or underlay) based on sensing information. In overlay, cellular users (CUs) are absent in the given channel; thus, relay transmits with high power based on available harvested energy. On the other hand, in underlay CUs are present, and they communicate with each other via base station (BS); thus, in D2D network, relay transmits with controlled power using nonorthogonal multiple‐access (NOMA) technique. In contrast to the conventional hybrid transmission, in the proposed work, relay adopts the ambient backscatter communications (ABCs) in underlay because RF signal of BS is available. The relay first backscatters the source information using available RF signal of BS; thereafter, it uses its own battery for controlled transmission and keeps the interference to the CU receiver within a tolerable limit. Spectrum sensing (SS) and a transmit power limitation are taken into consideration while developing analytical models for throughput, outage, and energy efficiency (EE). An algorithm is proposed to optimize the relay transmit power in the underlay scenario. Through meticulous simulation, the network performance in terms of throughput, outage, and EE is examined for hybrid transmission with ABCs.