bluuebunny/crossref_metadata_2025_split huggingface dataset:
Phytochemical profiling, antioxidant, and tyrosinase inhibitory potential of the Acacia cyclops trunk bark: in vitro combined with in silico approach
Authors: Kaplan Muammer , Beyaoui Ahlem , Jlizi Salma , Goren Ahmet Ceyhan , Jalouli Maroua , Harrath Abdel Halim , Ben Jannet Hichem 
Published: May 2024

AbstractThe aim of this study was to analyze the phytochemical profile of Acacia cyclops trunk bark ethyl acetate extract using LC–tandem mass spectrometry for the first time, along with evaluating its antioxidant and anti‐tyrosinase properties. Consequently, we determined the total phenolic and flavonoid contents of the extract under investigation and identified and quantified 19 compounds, including phenolic acids and flavonoids. In addition to assessing their antioxidant potential against DPPH (2,2‐diphenyl‐1‐picrylhydrazyl) and ABTS (2,2′‐azino‐bis‐[3‐ethylbenzothiazoline‐6‐sulfonic] acid) assays, in vitro and in silico studies were conducted to evaluate the tyrosinase inhibitory properties of the A. cyclops extract. The ethyl acetate trunk bark extract exhibited a substantial total phenolic content and demonstrated significant antioxidant activity in terms of free radical scavenging, as well as notable tyrosinase inhibitory action (half‐maximal inhibitory concentration [IC50] = 14.08 ± 1.10 μg/mL). The substantial anti‐tyrosinase activity of the examined extract was revealed through molecular docking analysis and druglikeness prediction of the main selected compounds. The findings suggest that A. cyclops extract holds promise as a potential treatment for skin hyperpigmentation disorders.
Carbonylation Reactions Using Single‐Atom Catalysts
Authors: Jurado Lole , Posada‐Pérez Sergio , Axet M. Rosa 
Published: May 2024

AbstractThe development of highly efficient and selective catalysts for carbonylation reactions represents a significant challenge in catalysis. Single‐atom catalysts (SACs) have postulated as promising candidates able to combine the strengths of both homogeneous and heterogeneous catalysts. In this paper, we review recent advances in tailoring solid supports for SACs to enhance their catalytic performance in carbonylation reactions. We first discuss the effect of supports on the hydroformylation reaction catalysed by SACs, followed by recent advances for methanol, ethanol, and dimethyl ether carbonylation reactions, focusing on the design of halide‐free catalysts with improved activity and stability. Finally, oxidative carbonylation is discussed. Overall, this review highlights the importance of tailoring solid supports for SACs to achieve highly active and selective catalysts in carbonylation reactions, paving the way for future developments in sustainable catalysis.
Can Aromaticity Be Evaluated Using Atomic Partitions Based on the Hilbert‐Space?
Authors: Grèbol‐Tomàs Joan , Matito Eduard , Salvador Pedro 
Published: May 2024

AbstractAromaticity is a fundamental concept in chemistry that explains the stability and reactivity of many compounds by identifying atoms within a molecule that form an aromatic ring. Reliable aromaticity indices focus on electron delocalization and depend on atomic partitions, which give rise to the concept of an atom‐in‐the‐molecule (AIM). Real‐space atomic partitions present two important drawbacks: a high computational cost and numerical errors, limiting some aromaticity measures to medium‐sized molecules with rings up to 12 atoms. This restriction hinders the study of large conjugated systems like porphyrins and nanorings. On the other hand, traditional Hilbert‐space schemes are free of the latter limitations but can be unreliable for the large basis sets required in modern computational chemistry. This paper explores AIMs based on three robust Hilbert‐space partitions – meta‐Löwdin, Natural Atomic Orbitals (NAO), and Intrinsic Atomic Orbitals (IAO) – which combine the advantages of real‐space partitions without their disadvantages. These partitions can effectively replace real‐space AIMs for evaluating the aromatic character. For the first time, we report multicenter index (MCI) and Iring values for large rings and introduce ESIpy, an open‐source Python code for aromaticity analysis in large conjugated rings.
A Type of Stable Amides Behaves as Acyl Transfer Reagents upon Visible‐Light Irradiation through Self‐Aromatization
Authors: Xiong Wenzhang , Lai Guoyin , Liu Wenbo H. 
Published: May 2024

AbstractOrganic molecules with light‐modifiable reactivity are important in many fields because they can serve as the “switch” for light to trigger chemical processes. Herein, we disclose a new type of stable non‐twisted amides, the reactivity of which can be turned on by light as acyl transfer reagents. Upon photo‐activation, these amides react with various nucleophiles including amines, phenols, hydroxide, thiols, boronic acids, and alkynes either under metal‐free or metal‐catalysis conditions. This reactivity hinges on the design and synthesis of a photo‐activatable reagent (7‐nitro‐5,6‐dihydrophenanthridine), which undergoes self‐aromatization enabled by an internal oxidant under light. This masked acyl donor group is anticipated to be useful in scenarios where light is preferred to trigger a chemical process.
Desorption of rare earth elements biosorbed on Euglena mutabilis suspensions and biofilms
Authors: Zak Mitchell T. E. , Carunungan Nicolas A. R. , Papangelakis Vladimiros G. , Allen D. Grant 
Published: May 2024

AbstractIncreasing demand for rare earth elements (REEs) has stimulated research on novel recovery methods from sources like industrial effluents. Our recent study demonstrated that algal biofilms are good candidates for the adsorption of REEs and that the extracellular polymeric substances (EPS) within the biofilm were a key accumulator of REEs. In this work, we measured the desorption kinetics, extents, and selectivity of REEs from the algae Euglena mutabilis in suspensions and biofilms using aqueous solutions of HCl at pH between 1.5 and 4, and Na2EDTA at pH 5. We examined the potential for reusing suspended and biofilm biomass for repeated adsorption–desorption cycles. The desorption kinetics were similar for suspensions and biofilms, with equilibrium being reached within 20 min. The extent of desorption was higher in biofilms with 86% and 95% desorption, compared to suspensions which had 72% and 74% desorption using HCl and Na2EDTA, respectively. We postulate that the difference between suspensions and biofilms is attributed to the binding sites in the EPS matrix of the biofilm being more readily protonated than those at the algal cell wall surface. Heavy REEs were found to preferentially desorb at pH 4 over lighter REEs. After 3 repeated adsorption–desorption cycles, the adsorption capacity of biofilms increased by 280% and 80% using HCl and Na2EDTA, respectively, compared to an 80% decrease in biosorption capacity for the suspension. The increase in biofilm biosorption capacity was attributed to the simultaneous desorption of divalent cations alongside REEs from the EPS increasing the number of available binding sites.
Growth‐induced collective bending and kinetic trapping of cytoskeletal filaments
Authors: Banerjee Deb Sankar , Freedman Simon L. , Murrell Michael P. , Banerjee Shiladitya 
Published: May 2024

AbstractGrowth and turnover of actin filaments play a crucial role in the construction and maintenance of actin networks within cells. Actin filament growth occurs within limited space and finite subunit resources in the actin cortex. To understand how filament growth shapes the emergent architecture of actin networks, we developed a minimal agent‐based model coupling filament mechanics and growth in a limiting subunit pool. We find that rapid filament growth induces kinetic trapping of highly bent actin filaments. Such collective bending patterns are long‐lived, organized around nematic defects, and arise from competition between filament polymerization and bending elasticity. The stability of nematic defects and the extent of kinetic trapping are amplified by an increase in the abundance of the actin pool and by crosslinking the network. These findings suggest that kinetic trapping is a robust consequence of growth in crowded environments, providing a route to program shape memory in actin networks.
The efficacy and tolerability of bortezomib, thalidomide, and dexamethasone induction therapy with a thalidomide dose step‐up strategy in patients with newly diagnosed multiple myeloma: A prospective observational study
Authors: Liao Po‐Wei , Lu Hsueh‐Ju , Chen Tsung‐Chih , Lin Hsin‐Chen , Shih Yu‐Hsuan , Teng Chieh‐Lin Jerry 
Published: May 2024

AbstractBackgroundThalidomide‐containing regimens cause adverse events (AEs) that may require a reduction in treatment intensity or even treatment discontinuation in patients with multiple myeloma. As thalidomide toxicity is dose‐dependent, identifying the most appropriate dose for each patient is essential.AimsThis study aimed to investigate the effects of a thalidomide dose step‐up strategy on treatment response and progression‐free survival (PFS).Methods and ResultsThis prospective observational study included 93 patients with newly diagnosed multiple myeloma (NDMM) who received bortezomib, thalidomide, and dexamethasone (VTD). The present study assessed the incidence of thalidomide dose reduction and discontinuation, the overall dose intensity, and their effects on therapeutic efficacy. Furthermore, this study used Cox proportional hazard models to analyze the factors contributing to thalidomide intolerability. The results showed the overall response rates in all patients and the evaluable patients were 78.5% and 98.7%, respectively. The median PFS in the study cohort was not reached. The most common thalidomide‐related AEs were constipation (32.3%) and skin rash (23.7%), resulting in dose reduction and discontinuation rates of 22.6% and 21.5%, respectively. The responders had a significantly higher average thalidomide dose intensity than the nonresponders (88.6% vs. 42.9%, p < .001).ConclusionThe thalidomide dose step‐up approach is a viable option for patients with NDMM receiving VTD induction therapy with satisfactory efficacy and tolerability. However, thalidomide intolerance may lead to dose reduction or discontinuation due to unpredictable AEs, leading to lower dose intensity and potentially inferior treatment outcomes. In addition to a dose step‐up strategy, optimal supportive care is critical for patients with multiple myeloma receiving VTD induction therapy.
Radial Behavior of Electrostatic Potentials of Atoms and Ions Revisited: Isotropy and Anisotropy
Authors: Ramasami Ponnadurai , Murray Jane S. 
Published: May 2024

AbstractIn this paper we revisit earlier work relating to monoatomic atoms and ions published by pioneers in the area of electrostatic potentials. We include plots of the radial distributions of the electrostatic potentials for spherically symmetric atoms and cations, and for singly, doubly and triply negative anions. For atoms with anisotropy in their densities and electrostatic potentials, such as the halonium cations, it is shown how the molecular surface approach for plotting electrostatic potentials complements that achieved by directional radial distributions.
Switching of Circularly Polarized Luminescence via Dynamic Axial Chirality Control of Chiral Bis(Boron Difluoride) Complexes with Salen Ligands
Authors: Ikeshita Masahiro , Kuroda Ayumu , Suzuki Seika , Imai Yoshitane , Tsuno Takashi 
Published: May 2024

AbstractThe intensity and handedness of circularly polarized luminescence (CPL) were successfully controlled by dynamic molecular motion in solutions. Bis(boron difluoride) complexes with chiral salen ligands were synthesized and their photophysical properties were investigated. Although these complexes showed rapid molecular rotation about the C−N bond axis in solution at room temperature, two conformers assigned as atropisomers were observed in the NMR spectra at low temperature. Furthermore, the equilibrium of these atropisomers was found to change depending on the external environment, such as the solvent and temperature, allowing precise control of the intensity and handedness of CPL without luminescence color shifts. Theoretical calculations based on density functional theory (DFT) revealed that intramolecular chiral exciton coupling is the key to changes in CPL properties.
Analysing green interpersonal citizenship behaviour as a mediator between green HRM and green outcomes: A study of manufacturing units
Authors: Kaur Harleen , Gupta Ragini 
Published: May 2024

AbstractUsing an integrated approach grounded on the theories of AMO (Ability‐Motivation‐Opportunity), RBV (Resource‐Based View), and Social Learning, the present study aims to assess the mediating role of Green Interpersonal Citizenship Behaviour (GICB) between Green HRM and Green Outcomes. The data was gathered from 371 manufacturing unit employees in India's Jammu region of UT of J&K using a cross‐sectional study approach. The sample size was depicted using G* power software. The model was tested using PLS‐SEM 4.0, (Partial Least Squares Structural Equation Modelling). According to the results of the survey, these green HRM strategies are highly associated to producing environmentally friendly results, which in turn lead to sustainability. Industrial organisations that want to improve their environmental performance might use the model as a guide. Positive green results may result from a combination of environmentally friendly techniques and green behaviour adopted by employees.
A terahertz power combining frequency multiplier source based on waveguide magic‐T divider
Authors: Wang Li , Meng Jin , Wei Haomiao , Zhang Dehai 
Published: May 2024

SummaryThis paper proposes a high‐power solid‐state power combining frequency multiplier source based on a waveguide magic‐T divider. The magic‐T has the merits of high isolation and reliability compared to conventional Y/T junction power dividers and wider bandwidth compared to 3 dB couplers. In the waveguide magic‐T, a two‐stage cuboid ridge is employed to reduce the difference‐port reflection and act as a matching element for the improved isolation port. Furthermore, two bent waveguides are connected with the output port of the magic‐T, which can achieve phase congruence. The reliability of the solid‐state power combining multiplier can be enhanced by this low‐loss, high‐isolation power divider. Moreover, the divider also facilitates the realization of a high‐power frequency multiplier. Measured results show that the multiplier has a maximum output power of 90.3 mW at 178 GHz with an input power of 448 mW.
Rainfall partitioning characteristics by two sand‐binding shrubs and their impact on shallow soil moisture replenishment in the Northwestern desert steppe of China
Authors: Chen Xiaoying , Chen Lin , Yang Xinguo , Li Minlan , Yu Dian , Song Naiping 
Published: May 2024

AbstractRainfall partitioning by the vegetation canopy into stemflow (SF) and throughfall (TF) plays a crucial role in soil infiltration and the local water balance. This study aims to quantify the differences in SF and TF between two sand‐binding shrubs, Caragana liouana and Salix psammophila, in the desert steppe, clarify the effects of biotic and abiotic factors on them using the boosted regression trees (BRT) model, and compare soil moisture replenishment during the growing seasons of 2021 and 2022. Under identical rainfall conditions, the canopies of C. liouana and S. psammophila can lead to differences in rainfall partitioning. The SF percentage ranged from 0 to 23.70% for C. liouana and from 0% to 3.3% for S. psammophila, respectively, while the TF percentage ranged from 42.12% to 90.07% for C. liouana and from 52.39% to 94.87% for S. psammophila. The funnelling ratio for C. liouana (69.59) is 1.19 times higher than for S. psammophila (58.36). Rainfall amount is the primary variable affecting rainfall partitioning. The average soil moisture replenishment and soil moisture conversion efficiency under the C. liouana canopy are 11.02 mm and 58.39%, respectively, which are significantly higher than those for S. psammophila (4.84 mm and 24.33%, respectively). These findings suggest that C. liouana, with its relatively higher SF and soil moisture conversion capability compared to S. psammophila, plays a significant ecohydrological role in water‐limited ecosystems. This study provides a reference for species selection and ecological management in vegetation restoration efforts in desert steppes and similar regions.
I still call Australia home: Satellite telemetry informs the protection of flatback turtles in Western Australian waters
Authors: Peel Lauren R. , Whiting Scott D. , Pendoley Kellie , Whittock Paul A. , Ferreira Luciana C. , Thums Michele , Whiting Andrea U. , Tucker Anton D. , Rossendell Jason , McFarlane Glenn , Fossette Sabrina 
Published: May 2024

AbstractFlatback turtles (Natator depressus) are endemic to northern Australia, but their movements at sea have remained understudied. Here, we compiled one of the world's largest single‐species satellite tracking datasets (n = 280 transmitters, deployed between 2005 and 2020) to investigate the movements and level of spatial protection afforded to five flatback genetic stocks across Western Australia during different behavioral phases (i.e., inter‐nesting, migration, and foraging). Flatbacks spent 99.5% of their time in Australian waters and are provided with a very high level of spatial protection (>98% overlap with Biologically Important Areas) during the inter‐nesting phase of their life cycle. Up to 85.6% and 59.1% overlap between marine reserves and the foraging and migratory ranges for flatback stocks, respectively, was found. However, our results identified additional foraging and migratory areas where protective measures would benefit multiple stocks at once. The detailed flatback distribution maps produced here will be key resources for managers and researchers and highlight the benefits of collaborative multi‐agency studies. Additionally, this work provides a useful analytical framework for future studies endeavoring to complete large‐scale, multi‐stock spatial distributions and overlap assessments for populations of conservation concern.
Association of point‐of‐care testing for sST2 with clinical outcomes in patients hospitalized with heart failure
Authors: Chen Yuyi , Guan Jingyuan , Qi Chen , Wu Yihang , Wang Jing , Zhao Xuemei , Li Xinqing , He Chunhui , Zhang Jian , Zhang Yuhui 
Published: May 2024

AbstractAimsThis study aimed to investigate the association of soluble suppression of tumorigenicity‐2 (sST2) measured by point‐of‐care testing assay with clinical outcomes in patients hospitalized with heart failure after adjusting for other predictors including N‐terminal pro‐B‐type natriuretic peptide (NT‐proBNP) and high‐sensitivity cardiac troponin T (hs‐cTnT).MethodsA total of 1726 consecutive patients hospitalized with heart failure from July 2015 to December 2021 were enrolled. Baseline serum sST2 concentrations were measured by immunofluorescence assay. Primary endpoint event was the composite of all‐cause death, heart transplantation, or left ventricular assist device.ResultsDuring the median follow‐up duration of 682 days, 434 patients (25.1%) suffered from primary endpoint events. Baseline sST2 remained an independent predictor of the primary endpoint event in patients hospitalized with heart failure after adjusting for other predictors including NT‐proBNP and hs‐cTnT [per log (unit) increase, adjusted hazard ratio (HR) (95% confidence interval) (CI): 1.20 (1.09, 1.32), P < 0.001]. And baseline sST2 had a better prognostic value for patients with chronic decompensated heart failure [per log (unit) increase, adjusted HR (95% CI): 1.19 (1.07, 1.31)] than for those with acute new onset heart failure [per log (unit) increase, adjusted HR (95% CI): 1.28 (0.94, 1.75), P value for interaction <0.001], as well as a better prognostic value for patients with New York Heart Association (NYHA) functional class I–II [per log (unit) increase, adjusted HR (95% CI): 1.67 (1.11, 2.52)] than for those with NYHA functional class III‐IV [per log (unit) increase, adjusted HR (95% CI): 1.18 (1.07, 1.31), P value for interaction <0.001]. Baseline sST2 was also a good predictor of the primary endpoint event in patients hospitalized with heart failure at 1 month, 3 months, 1 year and 2 years (area under the curve: 0.789, 0.775, 0.736 and 0.733, respectively), and the best cut‐off values were 27.2 ng/ml, 27.1 ng/ml, 27.1 ng/ml and 25.1 ng/ml, respectively. Furthermore, baseline sST2 could provide additional prognostic value when added to baseline NT‐proBNP and hs‐cTnT (all P values <0.05). According to the category of elevated biomarkers (including NT‐proBNP, hs‐cTnT, and sST2), patients with three elevated biomarkers had a higher risk of the primary endpoint event compared with those with one or two elevated biomarkers (all P values <0.05).ConclusionsBaseline sST2 remained an independent predictor of adverse events after adjusting for other predictors including NT‐proBNP and hs‐cTnT, particularly in patients with chronic decompensated heart failure and NYHA functional class I–II. And in the basis of baseline NT‐proBNP and hs‐cTnT, adding baseline sST2 could provide additional prognostic value for patients hospitalized with heart failure.
High Yield Synthesis of Spirocyclic Dienones from Phenols Employing Tribromide Catalysed Dearomatization
Authors: Kuila Puspendu , Roy Barnali , Sarkar Debayan 
Published: May 2024

AbstractA catalytic strategy towards the tribromide‐catalyzed dearomative spirocyclization reaction is described employing tetrabutylammonium bromide (TBAB) and oxone as an oxidising agent. This methodology leads to the exclusive formation of spirofurano dienones without rearomatization or halogenation. Our group has been on trails of tribromide‐catalyzed dearomative transformation during the last decade, and now this exhibits the first report which delivers high functional group tolerance and broad substrate scope with excellent yield (up to 99 %) and good diastereoselectivity (dr up to 14 : 1). The oxidation of naphthols as well as phenols is achieved under this mild conditions.
Decatungstate Catalyzed Benzylic C−H Trifluoromethylthiolation
Authors: Tang Meifang , Bao Yanyang , Zhang Han , Xiao Rui , Feng Bingbing , Yuan Zheliang , Wang Yanan 
Published: May 2024

AbstractHere we report a mild protocol for benzylic C−H trifluoromethylthiolation using sodium decatungstate (NaDT) as the photocatalyst. Wherein, photoactivated DT abstracted the benzylic hydrogen atom via a radical process. This transformation works well with a slight excess of benzylic substrates or as limiting reagents for better purification. The reaction shows mild conditions and good functional group tolerance. Moreover, the protocol could be applied to gram‐scale synthesis.
Extra‐virgin olive oil enriched with lycopene: From industrial tomato by‐products to consumer
Authors: Fernandez‐Pan Idoya , Horvitz Sandra , Ibañez Francisco C. , Arroqui Cristina , Beriain María José , Virseda Paloma 
Published: May 2024

AbstractLycopene is usually extracted from the by‐product of the tomato industry using organic solvents (OS) in combination with a physical technique. An emerging physical technique is high‐pressure processing (HPP). This study aims to find a method by applying a green solvent (edible vegetable oils) in an HPP‐assisted solid–liquid extraction. Three dosages of tomato by‐product (10%, 20%, and 40%, w/v) were tested using OS, sunflower oil (RSO), and extra‐virgin olive oil (EVOO). Lycopene recovery increased with the ratio of by‐product to oil, particularly when using EVOO. In another stage of the study, consumers evaluated EVOO that contained two doses of tomato by‐product (10% and 20%, w/v). Consumers preferred the EVOO from 10% tomato by‐product ratio over that with 20%. Additionally, 83.8% of consumers stated that enriched oil could be deemed beneficial for health. The proposed method considers the fundamental principles of the circular economy and practical industrial scenario to recover lycopene from tomato by‐product.