bluuebunny/crossref_metadata_2025_split huggingface dataset:
Glucosinolates and Their Hydrolytic Derivatives: Promising Phytochemicals With Anticancer Potential
Authors: Joković Nataša , Pešić Strahinja , Vitorović Jelena , Bogdanović Andrija , Sharifi‐Rad Javad , Calina Daniela 
Published: December 2024

ABSTRACTRecent research has increasingly focused on phytochemicals as promising anticancer agents, with glucosinolates (GSLs) and their hydrolytic derivatives playing a central role. These sulfur‐containing compounds, found in plants of the Brassicales order, are converted by myrosinase enzymes into biologically active products, primarily isothiocyanates (ITCs) and indoles, which exhibit significant anticancer properties. Indole‐3‐carbinol, diindolylmethane, sulforaphane (SFN), phenethyl isothiocyanate (PEITC), benzyl isothiocyanate, and allyl isothiocyanate have shown potent anticancer effects in animal models, particularly in breast, prostate, lung, melanoma, bladder, hepatoma, and gastrointestinal cancers. Clinical studies further support the chemopreventive effects of SFN and PEITC, particularly in detoxifying carcinogens and altering biochemical markers in cancer patients. These compounds have demonstrated good bioavailability, low toxicity, and minimal adverse effects, supporting their potential therapeutic application. Their anticancer mechanisms include the modulation of reactive oxygen species, suppression of cancer‐related signaling pathways, and direct interaction with tumor cell proteins. Additionally, semi‐synthetic derivatives of GSLs have been developed to enhance anticancer efficacy. In conclusion, GSLs and their derivatives offer significant potential as both chemopreventive and therapeutic agents, warranting further clinical investigation to optimize their application in cancer treatment.
Configurational and Conformational Studies of Quinolizidine and Beta‐Carboline Moieties in the Corynanthe‐Tryptamine Alkaloids
Authors: Grigoriev Dmitry A. , Semenov Valentin A. , Angenot Luc , Krivdin Leonid B. 
Published: December 2024

ABSTRACTConfigurational and conformational assignments of 11 Corynanthe‐Tryptamine alkaloids (usambarane skeleton) were performed based on the correlation of the high‐level calculated and experimental 1H and 13C NMR chemical shifts. For some compounds, the reassignment of a number of individual signals together with spectral assignment of experimentally unresolved peaks was suggested. The different conformations of the C/D quinolizidine ring system appear strictly dependent of the structure of the side chain (ethyl‐, vinyl‐ or ethylidenic); in the latter case, the configuration (E or Z) of the 19‐20 double bond of the ethylidenic chain is determinant to establish a cis‐ or a trans‐quinolizidine system of rings C/D. The conformation is also influenced by the equatorial or axial conformation of (C15) substituents.
Combining the 15N Gas Flux Method and N2O Isotopocule Data for the Determination of Soil Microbial N2O Sources
Authors: Micucci Gianni , Lewicka‐Szczebak Dominika , Sgouridis Fotis , Well Reinhard , Buchen‐Tschiskale Caroline , McNamara Niall P. , Krause Stefan , Lynch Iseult , Roos Felicity , Ullah Sami 
Published: December 2024

ABSTRACTRationaleThe analysis of natural abundance isotopes in biogenic N2O molecules provides valuable insights into the nature of their precursors and their role in biogeochemical cycles. However, current methodologies (for example, the isotopocule map approach) face limitations, as they only enable the estimation of combined contributions from multiple processes at once rather than discriminating individual sources. This study aimed to overcome this challenge by developing a novel methodology for the partitioning of N2O sources in soil, combining natural abundance isotopes and the use of a 15N tracer (15N Gas Flux method) in parallel incubations.MethodsLaboratory incubations of an agricultural soil were conducted to optimize denitrification conditions through increased moisture and nitrate amendments, using nitrate that was either 15N‐labeled or unlabeled. A new linear system combined with Monte Carlo simulation was developed to determine N2O source contributions, and the subsequent results were compared with FRAME, a Bayesian statistical model for stable isotope analysis.ResultsOur new methodology identified bacterial denitrification as the dominant process (87.6%), followed by fungal denitrification (9.4%), nitrification (1.5%), and nitrifier denitrification (1.6%). Comparisons with FRAME showed good agreement, although FRAME estimated slightly lower bacterial denitrification (80%) and higher nitrifier‐denitrification (9%) contributions.ConclusionsThis approach provides an improved framework for accurately partitioning N2O sources, enhancing understanding of nitrogen cycling in agroecosystems, and supporting broader environmental applications.
A SIFT Study of Reactions of Positive and Negative Ions With Polyfluoroalkyl (PFAS) Molecules in Dry and Humid Nitrogen at 393 K
Authors: Swift Stefan James , Omezzine Gnioua Maroua , Dryahina Kseniya , Španěl Patrik 
Published: December 2024

ABSTRACTRationaleData are required for SIFT‐MS analysis of perfluoroalkyl and polyfluoroalkyl substances (PFAS), which are persistent in the environment and cause adverse health effects. Specifically, the rate coefficients and product ion branching ratios of the reactions of H3O+, NO+, O2+•, O−•, OH−, O2−•, NO2− and NO3− with PFAS vapours are needed.MethodsThe dual polarity SIFT‐MS instrument (Voice200) was used to generate these eight reagent ions and inject them into the flow tube with N2 carrier gas at a temperature of 393 K. Vapours of pentafluoropropionic acid, heptafluorobutyric acid, nonafluoro‐1‐hexanol, perfluoro‐2‐methyl‐2‐pentene, perfluorohexanoic acid, perfluoro(2‐methyl‐3‐oxahexanoic) acid, tridecafluoro‐1‐octanol and nonafluorobutane‐1‐sulfonic acid were introduced in dry and humid air. Full‐scan mass spectra were collected for all reagents at variable PFAS concentrations and analysed numerically.ResultsRate coefficients were determined for 64 reactions, for which 55 positive and 71 negative product ions were identified. The branching ratios for the primary reaction channels were extracted from the data, and the secondary chemistry with H2O molecules was qualitatively assessed. The thermochemical data were calculated for the H3O+ reactions using density functional theory (DFT).ConclusionsAn important observation is that secondary reactions with water molecules remove the positive product ions, making them unsuitable for practical SIFT‐MS analysis of PFAS vapours. In contrast, most negative reaction product ions are not significantly affected by humidity and are thus preferred for the SIFT‐MS analyses of PFAS substances in various gaseous matrices.
Rapid Analysis of Nucleic Acids by Matrix‐Assisted Laser Desorption Ionization Time‐Of‐Flight Mass Spectrometry With a Data Algorithm
Authors: Xu Zhen , Xiong Baolin , Cheng Wenbo , Hu Bin , Tang Yuguo 
Published: December 2024

ABSTRACTRationaleMatrix‐assisted laser desorption ionization time‐of‐flight mass spectrometry (MALDI‐TOF‐MS) is a powerful method for identifying viruses via nucleic acid detection. The data processing method is critical in recognizing nucleic acid obtained by MALDI‐TOF‐MS. Therefore, new development of data algorithm is needed for virus identification.MethodsIn this work, we developed a new data processing algorithm of MALDI‐TOF‐MS to identify respiratory viruses and deafness gene mutation sites. The algorithm includes denoising, baseline correcting, peak identification, and extraction features for processing the MS spectrum.ResultsStandard nucleic acid and respiratory virus samples were used to evaluate the performances of the newly developed algorithms. The errors of peak detection were found to be less than 200 ppm. Excellent sensitivity (91.67%–100%) and specificity (96.88–100%) were obtained by identifying 305 virus samples in this work, showing excellent performances. Additionally, accurate identification of the mutation sites of deafness genes was also obtained by the presented method.ConclusionsOverall, our data showed that this method is accurate, sensitive, and specific for nucleic acid identification, showing the potential applications for qualitative analysis of respiratory viruses and deafness gene mutation screening.
Increasing Reachability in Robotic Ultrasound Through Base Placement and Tool Design
Authors: Osburg Jonas , Nguyen Ngoc Thinh , Ernst Floris 
Published: December 2024

ABSTRACTBackgroundRobotic ultrasound visualises internal organs in real‐time for various medical applications without the harm of X‐rays. The ultrasound probe is attached to the robot's end effector using custom‐developed probe holders. This paper analyzes the impact of different probe holder geometries on the robot's base placement and reachability.MethodsWe propose a method to improve probe holder geometries and robot base placements to enhance reachability, validated using a 7‐DoF serial manipulator (KUKA iiwa 7) for ultrasound scans of multiple subcutaneous body parts.ResultsWithout additional space restrictions, the number of robot base positions with high reachability could be strongly increased with an improved probe holder geometry. Under space constraints, previously unreachable target poses became accessible by adapting the probe holder geometry.ConclusionsOur method provides an automated solution for determining improved probe holder geometries, enhancing reachability to target areas, especially when the robot's placing area is limited.
Adaptive Secure Consensus for Nonlinear Multiagent Systems With Distributed Sequential Link Attacks Under General Directed Graphs
Authors: Zhao Miao , Xi Jianxiang , Wang Le , Liu Hao , Zheng Yuanshi 
Published: December 2024

ABSTRACTThis article introduces a novel adaptive secure consensus strategy for achieving secure consensus in nonlinear multi‐agent systems (MASs) against distributed sequential link attacks under general directed graphs, which can be implemented in a fully distributed manner. First, communication network attacks on MASs are modeled as distributed sequential link attacks. An adaptive secure consensus protocol is then designed for nonlinear MASs to achieve fully distributed secure consensus under general directed graphs. Moreover, by decomposing the Laplacian matrix of general directed graphs, secure consensus criteria for nonlinear MASs against distributed sequential link attacks are presented, unifying leaderless and leader‐follower structures into a single control framework. Finally, the effectiveness of the proposed control strategy is demonstrated through a simulation example.
M2CS: A Multimodal and Campus‐Scapes Dataset for Dynamic SLAM and Moving Object Perception
Authors: Zhao Huanfeng , Yao Meibao , Zhao Yan , Jiang Yao , Zhang Hongyan , Xiao Xueming , Gao Ke 
Published: December 2024

ABSTRACTThe deployment of the robotic system that executes specific task is being challenged by the prevalence of dynamic objects in real‐world scenes. Two robotic tasks sparked by this challenge, known as dynamic Simultaneous Localization and Mapping (SLAM) and moving object perception, are crucial for enhancing system robustness and reinforcing environment awareness. Existing public datasets are diverse in platforms, sensor combinations, scenarios, and label annotations, but few adequately benchmark the above tasks. To fill this gap, we introduce the multimodal and campus‐scapes (M2CS) dataset, providing robot‐centric synchronized LiDAR‐Inertial‐Visual‐GNSS data with 3D moving object annotation in specific dynamic scenarios. The dataset exhibits variation in dynamic object types and densities, annotating over 160,000 Light Detection and Ranging (LiDAR) scans and releasing ground truth of trajectories acquired by the GNSS‐RTK/INS system. The dataset evaluates existing SLAM and moving object perception methods, driving relevant research to overcome this challenge. We publish the M2CS dataset on the website (https://github.com/Zhaohuanfeng/M2CS) and hope it promotes research on robotics in complex environment.
Rapid Hydrolysis of Submicron Magnesium Catalyzed by In Situ‐Generated Multi‐Nickel Alloys
Authors: Huang Haixiang , Chen Jinting , Xu Tingting , Yuan Jianguang , Liu Bogu , Zhang Bao , Wu Ying 
Published: December 2024

AbstractThe hydrolysis of lightweight metal‐based materials is a promising technology for supplying hydrogen to portable fuel cells. Various additives for the catalytic modification of Mg hydrolysis have been investigated. Efficient catalysts and small magnesium particle sizes are key to enhancing the rate of hydrogen production. In this study, submicron Mg and in situ‐generated multi‐Ni alloy catalysts (NiM@Gn) are prepared and composited for the first time. Among the composites prepared, Mg‐5 wt.%NiM@Gn exhibits the best hydrolysis performance. This composite can release 804.4 mL g−1 hydrogen within 30 s (98.32% of the total yield), and its initial hydrogen release rate is as high as 5480 mL g−1 min−1, with a low apparent activation energy of hydrolysis of 10.85 kJ mol−1. Submicron Mg greatly improves the rate of the hydrolysis reaction, and graphene facilitates the exfoliation of agglomerated Mg particles in water. Mg2Ni and (Fe, Ni) alloys generate microgalvanic cells with Mg in situ, significantly enhancing the electrochemical corrosion efficiency of Mg. Theoretical calculations show that these alloys accelerate electron transfer and coupling on the Mg surface. This study guides for the design and preparation of multi‐catalysts and establishes the feasibility of submicron Mg for hydrogen generation through hydrolysis.
Conversion of Flexible Spin Crossover Metal–Organic Frameworks Macrocrystals to Nanocrystals Using Ultrasound Energy: A Study on Structural Integrity by MicroED and Charge‐Transport Properties
Authors: Martinez‐Martinez Ana , Gullace Sara , Resines‐Urien Esther , Martín‐Pérez Lucia , Collado Javier , Arranz Rocío , Burzurí Enrique , Santiago César , Sañudo E. Carolina , Sanchez Costa José 
Published: December 2024

AbstractMetal–Organic Frameworks (MOFs) attract attention for their intrinsic porosity, large surface area, and functional versatility. To fully utilize their potential in applications requiring precise control at smaller scales, it is essential to overcome challenges associated with their bulk form. This is particularly difficult for 3D MOFs with spin crossover (SCO) behavior, which undergo a reversible transition between high‐spin and low‐spin states in response to external stimuli. Maintaining their structural integrity and SCO properties at the nanoscale remains a significant challenge, yet these properties make them ideal candidates for sensors, data storage, and molecular switch applications. This study reports the synthesis of nanocrystals of the well‐known SCO MOF [Fe2(H0.67bdt)3]·xH2O (1, x = 0–10, bdt2− = 1,4‐benzeneditetrazolate), which exhibits both magnetic and charge transport properties. The nanocrystals are obtained through sonication of macrocrystals, and the preservation of their crystalline structure at the nanoscale is explored using Microcrystal Electron Diffraction (MicroED). A comparison between macro‐ and nanocrystals highlights the structural integrity and the preservation of charge‐transport properties, underlining the potential for further miniaturization of MOFs for advanced technological applications.
Unveiling the Mystery of Precision Catalysis: Dual‐Atom Catalysts Stealing the Spotlight
Authors: Zhang Mengyang , Cao Xiwen , Dong Jie , Zhu Xianjun , Zhu Yanwei , Wang Longlu 
Published: December 2024

AbstractIn the era of atomic manufacturing, the precise manipulation of atomic structures to engineer highly active catalytic sites has become a central focus in catalysis research. Dual‐atom catalysts (DACs) have garnered significant attention for their superior activity, selectivity, and stability compared to single‐atom catalysts (SACs). However, a comprehensive review that integrates geometric and electronic factors influencing DAC performance remains limited. This review systematically explores the structure of DAC, addressing key macroscopic parameters, such as spatial arrangements and interatomic distances, as well as microscopic factors, including local coordination environments and electronic structures. Additionally, metal‐support interactions (MSI) and long‐range interactions (LSI) are comprehensively analyzed, which play a pivotal yet underexplored role in governing DAC behavior. the integration of tailored functional groups is further discussed to fine‐tune DAC properties, thereby optimizing intermediate adsorption, enhancing reaction kinetics, and expanding their multifunctionality in various electrochemical environments. This review offers novel insights into their rational design by elucidating the intricate mechanisms underlying DACs' exceptional performance. Ultimately, DACs are positioned as critical players in precision catalysis, highlighting their potential to drive significant breakthroughs across a broad spectrum of catalytic applications.
Extending Conjugation Lengths of the Linkage Units in Triazine‐Based Porous Polymers for Enhanced Photocatalysis
Authors: Hao Tingting , Zhao Fei , Du Yuchang , Zhang Shengling , Meng Fanpeng , Zhao Jinsheng , Chu Ya , Zhang Huayang 
Published: December 2024

AbstractThree triazine‐based conjugated porous polymers (CPPs) are synthesized via a Pd‐catalyzed Suzuki‐Miyaura coupling reaction between derivatives of 2,4,6‐tri(thiophen‐2‐yl)‐1,3,5‐triazine (TTT) and 2,4,6‐triphenyl‐1,3,5‐triazine (TPT). Photocatalysis experiments demonstrate that the hydrogen evolution rate (HER) of ThTh‐CPP (homopolymer of TTT) reach an exceptional 46.4 mmol g⁻¹ h⁻¹ without co‐catalysts, surpassing ThPh‐CPP (8.26 mmol g⁻¹ h⁻¹, a copolymer of TTT and TPT) and PhPh‐CPP (3.06 mmol g⁻¹ h⁻¹, homopolymer of TPT), as well as nearly all similar polymer‐based catalysts reported to date, under visible light. The variance in photocatalytic activity is attributed to differences in the linkage units on the triazine ring. Mechanistic analysis, combining experimental and theoretical studies, highlights the potential of engineering the electron‐donating ability of the linkage units to enhance photocatalytic hydrogen evolution in triazine‐based conjugated polymers.
Green Extraction and Optimization of Lutein From Tagetes erecta by Ultrasound‐Assisted Extraction Method and Identification by High‐Performance Liquid Chromatography Method
Authors: Rahman Zuha , Panda Bibhu Prasad , Ahmad Sameer , Aeri Vidhu 
Published: December 2024

ABSTRACTLutein, an essential nutrient, is present (0.01%–0.5%) in marigold flowers (Tagetes erecta L.) and has been associated with benefits for eye health, including protection against age‐related macular degeneration. Green extraction methods and green solvents have been reported to extract high yields of lutein, maintain purity, and reduce environmental impact compared to conventional methods. This study aims to extract lutein from marigold flowers using green extraction methods (maceration, soxhlet, and ultrasound‐assisted extraction [UAE]) and green solvents (isopropyl alcohol [IPA], ethanol, 2‐methyltetrahydrofuran [2‐MeTHF], dimethyl carbonate [DC], and cyclopentyl methyl ether [CPME]). Using the Box–Behnken design (BBD), the selected method was optimized and evaluated for lutein extraction and antioxidant activity. The optimal conditions for the ultrasound extraction method are ultrasonic power (100 W), extraction time (2.5 min), and a solid‐to‐solvent ratio (5%). Lutein was quantified by HPLC with a mobile phases of acetonitrile and methanol (40:60) at 450 nm. The UAE method using 2‐MeTHF showed the highest lutein yield (41.5 ± 1.4 µg/mL), surpassing hexane (25.8 ± 1.9 µg/mL) and other green solvents. By optimizing the extraction method, significant improvements were achieved in both lutein extraction yield (10%) and antioxidant activity (93.78%). The lutein yield increased 240.96‐fold, as compared to reported values.
Analytical Quality by Design Based HPLC for Quantitative Analysis of Teneligliptin and Rosuvastatin Calcium Tablets in the Presence of Force Degradation Products
Authors: Patel Rashmin , Shah Jeel , Patel Mrunali 
Published: December 2024

ABSTRACTThe application of analytical quality by design in developing an HPLC method ensures robust, reliable, and regulatory‐compliant pharmaceutical analysis. This study aimed to establish a stability‐indicating HPLC for the quantification of teneligliptin and rosuvastatin calcium in tablets using analytical quality by design principles. The analytical target profile was defined, and a risk assessment identified critical method attributes and critical method parameters. A Plackett–Burman design screened significant critical method parameters, followed by optimization using a central composite design. The optimized method utilized a Phenomenex Gemini C18 column with a mobile phase of phosphate buffer (pH 5.0) and ACN (64:36% v/v), achieving retention times of 4.27 ± 0.2 min for teneligliptin and 11.84 ± 0.2 min for rosuvastatin. The HPLC method was validated as per International Council for Harmonisation (ICH) guidelines, demonstrating good linearity across concentration ranges of 20–60 µg/mL of teneligliptin and 10–30 µg/mL of rosuvastatin, respectively. Forced degradation studies under various stress conditions confirmed the method's specificity, ensuring reliable detection of teneligliptin and rosuvastatin even in the presence of degradation products. This study offers an innovative and efficient solution for the analysis of teneligliptin and rosuvastatin in combined fixed‐dose tablet formulations.
Significant helminthiasis, ocular defects and other disorders in an endangered population of red‐billed choughs (Pyrrhocorax pyrrhocorax): A descriptive observational study
Authors: Pennycott Tom , Bignal Eric , McCracken Davy 
Published: December 2024

AbstractBackgroundThe breeding population of the red‐billed chough (Pyrrhocorax pyrrhocorax) in Scotland has fallen in recent years, with all breeding pairs now confined to the Hebridean islands of Islay and Colonsay. Demographic studies have shown that a significant factor in the population decline on Islay has been reduced survival from fledging to 1 year of age (juveniles). Understanding the significance of infectious and non‐infectious diseases in chough mortality is crucial to the development of successful management strategies aimed at conserving breeding populations of choughs in Scotland and elsewhere.MethodsPostmortem examinations were carried out on 72 choughs found dead or euthanased on welfare grounds on Islay between 2004 and 2024.ResultsSignificant burdens of helminths, some not previously recorded in choughs, were found in 18 juvenile choughs (78.3% of all juveniles examined). Genetic eye abnormalities analogous to Peters’ anomaly in people were present in 16 nestling/fledgling choughs. Several other infectious and non‐infectious causes of death were also found.LimitationsThe number of carcases examined was only a small sub‐sample of all choughs dying on Islay.ConclusionFuture strategies to conserve choughs on Islay will need to address the underlying causes of the increased losses from helminthiasis in juvenile choughs and assess the implications of inbreeding as demonstrated by the genetic eye disorders.