bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tandem Ring‐Opening/Double Ring‐Closing Synthesis of 1,2,4‐Triazolo[1,5‐a]pyridines from Chromone‐Containing Acrylonitriles
Authors: Chernov Nikita M. , Kustin Roman P. , Pypa Yulia V. , Anisimov Sergej O. , Spiridonova Dar'ya V. , Shutov Roman V. , Yakovlev Igor P. 
Published: December 2023

AbstractWe studied a reaction of chromone‐containing acrylonitriles and cyanoacrylates with acid hydrazides. This reaction turned out to be a method for the synthesis of salicyloyl‐substituted 1,2,4‐triazolo[1,5‐a]pyridines. The synthesis developed is a tandem ring‐opening/double ring‐closing process. This synthetic approach is characterized by low toxic solvents (ethanol, butanol) and mediator (Et3N), 37–84% yields, non‐chromatographic isolation of products, and substrate tolerance (59 examples).
Electrochemical Selenylation‐Induced Annulation of Alkenyl Ureas to Access Cyclic Isoureas
Authors: Li Hongjun , Tang Dong , Zhou Pengjuan , Wan Yaya , Jiang Rui , Yang Jinhui 
Published: December 2023

AbstractA direct electrosynthesis of cyclic isoureas from N‐allyl ureas and diselenides has been described. This protocol proceeds without any additional catalyst and oxidant, at room temperature under air, providing the desired products in 71–91% yield. In addition, the synthesis of cyclic isoureas containing five to seven‐membered rings has also been achieved by the employment of this strategy. On the basis of the mechanism experiments and previous research works, a probable mechanism is proposed.
Mechanistic Insights into Electrodeposition in Seawater at Variable Electrochemical Potentials
Authors: Devi Nishu , Wagner Amy , Lopez Jeffrey , Guerini Alexandre , Zampini Davide , Rotta Loria Alessandro F. 
Published: December 2023

AbstractThe classical approach to manufacturing cement and concrete involves considerable and energy‐intensive exploitation of minerals from the environment, calling for alternative and sustainable methods to obtain such resources. Electrodeposition resulting from local pH changes near an oxygen or water reduction electrode can be used to grow valuable minerals in seawater for use in the cement and concrete industries, with the potential to use clean electricity without relying on the mining of resources. Limited knowledge is available about the electrochemical reaction networks that yield mineral precipitates via electrodeposition in seawater, hindering a complete assessment of the promise of such an approach to serving the construction industry. This work presents an investigation of the electrodeposition in seawater as a function of the applied potential. The work identifies multiple electrochemical potential regimes that yield distinct polymorphs, quantities, and production rates of calcium and magnesium‐based minerals due to the varying rates of oxygen reduction and water‐splitting reactions. The quality of the produced minerals is comparable to that of traditionally mined aggregates in terms of morphology and composition, supporting that seawater represents a vast source of raw materials for use in the construction industry upon an enhancement in the efficiency of hydroxide‐producing reactions and the reactor design.
Copper–Zinc‐Doped Bilayer Bioactive Glasses Loaded Hydrogel with Spatiotemporal Immunomodulation Supports MRSA‐Infected Wound Healing
Authors: Huo Shicheng , Liu Shu , Liu Qianqian , Xie En , Miao Licai , Meng Xiangyu , Xu Zihao , Zhou Chun , Liu Xuesong , Xu Guohua 
Published: December 2023

AbstractDeveloping biomaterials with antimicrobial and wound‐healing activities for the treatment of wound infections remains challenging. Macrophages play non‐negligible roles in healing infection‐related wounds. In this study, a new sequential immunomodulatory approach is proposed to promote effective and rapid wound healing using a novel hybrid hydrogel dressing based on the immune characteristics of bacteria‐associated wounds. The hydrogel dressing substrate is derived from a porcine dermal extracellular matrix (PADM) and loaded with a new class of bioactive glass nanoparticles (BGns) doped with copper (Cu) and zinc (Zn) ions (Cu–Zn BGns). This hybrid hydrogel demonstrates a controlled release of Cu2+ and Zn2+ and sequentially regulates the phenotypic transition of macrophages from M1 to M2 by alternately activating nucleotide‐binding oligomerization domain (NOD) and inhibiting mitogen‐activated protein kinases (MAPK) signaling pathways. Additionally, its dual‐temporal bidirectional immunomodulatory function facilitates enhanced antibacterial activity and wound healing. Hence, this novel hydrogel is capable of safely and efficiently accelerating wound healing during infections. As such, the design strategy provides a new direction for exploring novel immunomodulatory biomaterials to address current clinical challenges related to the treatment of wound infections.
Embedding Atomically Dispersed Manganese/Gadolinium Dual Sites in Oxygen Vacancy‐Enriched Biodegradable Bimetallic Silicate Nanoplatform for Potentiating Catalytic Therapy
Authors: Ye Jin , Zhang Kefen , Yang Xing , Liu Mengting , Cui Yujie , Li Yunlong , Li Chunsheng , Liu Shuang , Lu Yong , Zhang Zhiyong , Niu Na , Chen Ligang , Fu Yujie , Xu Jiating 
Published: December 2023

AbstractDue to their atomically dispersed active centers, single‐atom nanozymes (SAzymes) have unparalleled advantages in cancer catalytic therapy. Here, loaded with chlorin e6 (Ce6), a hydrothermally mass‐produced bimetallic silicate‐based nanoplatforms with atomically dispersed manganese/gadolinium (Mn/Gd) dual sites and oxygen vacancies (OVs) (PMnSAGMSNs‐V@Ce6) is constructed for tumor glutathione (GSH)‐triggered chemodynamic therapy (CDT) and O2‐alleviated photodynamic therapy. The band gaps of silica are significantly reduced from 2.78 to 1.88 eV by doping with metal ions, which enables it to be excited by a 650 nm laser to produce electron‐hole pairs, thereby facilitating the generation of reactive oxygen species. The Gd sites can modulate the local electrons of the atom‐catalyzed Mn sites, which contribute to the generation of superoxide and hydroxyl radicals (•OH). Tumor GSH‐triggered Mn2+ release can convert endogenous H2O2 to •OH and realize GSH‐depletion‐enhanced CDT. Significantly, the hydrothermally generated OVs can not only capture Mn and Gd atoms to form atomic sites but also can elongate and weaken the O‐O bonds of H2O2, thereby improving the efficacy of Fenton reactions. The degraded Mn2+/Gd3+ ions can be used as tumor‐specific magnetic resonance imaging contrast agents. All the experimental results demonstrate the great potential of PMnSAGMSNs‐V@Ce6 as cancer theranostic agent.
Air‐Stable Atomically Encapsulated Crystalline‐Crystalline Phase Transitions in In2Se3
Authors: Ignacio Nicholas D , Fatheema Jameela , Jeon Yu‐Rim , Akinwande Deji 
Published: December 2023

AbstractThe layered semiconductor In2Se3 has a low temperature crystalline–crystalline (α → β) phase transformation with distinct electrical properties that make it a promising candidate for phase change memory. Here, using scanning tunneling microscopy, correlative in situ micro‐Raman, and electrical measurements, it is shown that the β phase can persist in bulk crystals at room temperature in non‐oxidative environments. Of particular note, the stability of β phase crystals in ambient conditions under encapsulation of graphene and similar passivation layers, is reported for the first time. The strategy of encapsulation to ensure the persistence of β phase overlaps with efforts to passivate switching materials. It is further demonstrated that degradation from the elevated temperatures required for the phase change is slowed through examination of Raman signatures. These results demonstrate an alternative method of phase manipulation with a new stabilization of β‐In2Se3 in ambient conditions potentially extendable to other polymorphic materials, and the importance of passivation in In2Se3 memory devices.
Modelling the carbon balance in bryophytes and lichens: Presentation of PoiCarb 1.0, a new model for explaining distribution patterns and predicting climate‐change effects
Authors: Nikolić Nada , Zotz Gerhard , Bader Maaike Y. 
Published: December 2023

AbstractPremiseBryophytes and lichens have important functional roles in many ecosystems. Insight into their CO2‐exchange responses to climatic conditions is essential for understanding current and predicting future productivity and biomass patterns, but responses are hard to quantify at time scales beyond instantaneous measurements. We present PoiCarb 1.0, a model to study how CO2‐exchange rates of these poikilohydric organisms change through time as a function of weather conditions.MethodsPoiCarb simulates diel fluctuations of CO2 exchange and estimates long‐term carbon balances, identifying optimal and limiting climatic patterns. Modelled processes were net photosynthesis, dark respiration, evaporation and water uptake. Measured CO2‐exchange responses to light, temperature, atmospheric CO2 concentration, and thallus water content (calculated in a separate module) were used to parameterize the model's carbon module. We validated the model by comparing modelled diel courses of net CO2 exchange to such courses from field measurements on the tropical lichen Crocodia aurata. To demonstrate the model's usefulness, we simulated potential climate‐change effects.ResultsDiel patterns were reproduced well, and the modelled and observed diel carbon balances were strongly positively correlated. Simulated warming effects via changes in metabolic rates were consistently negative, while effects via faster drying were variable, depending on the timing of hydration.ConclusionsReproducing weather‐dependent variation in diel carbon balances is a clear improvement compared to simply extrapolating short‐term measurements or potential photosynthetic rates. Apart from predicting climate‐change effects, future uses of PoiCarb include testing hypotheses about distribution patterns of poikilohydric organisms and guiding conservation strategies for species.
A 600–700‐year‐old basalt adze production site from Mount Bates, Norfolk Island
Authors: Jorgensen Nicola , Way Amy Mosig , Flexner James 
Published: December 2023

ABSTRACTWhile pre‐European settlement of Norfolk Island has been recognised for many decades, particularly the larger settlement site at Emily Bay, until this point there has been limited understanding, and very little systematic recording of evidence for inland settlement. This report presents the location, chronology, stratigraphy and artefact assemblage of a previously undocumented lithic production site from Mount Bates in the north‐western uplands of Norfolk Island. The site dates to approximately 600–700 calBP. Excavations recovered over 1200 basalt artefacts, representing various stages in the adze production process. Sites such as this contribute to a better understanding of the range of activities carried out by Polynesian settlers of Norfolk Island, the stone tool economies of marginal Polynesia and the importance of local stone sources for understanding Oceanic settlement.
Tetrahydropalmatine from medicinal plants activates human glucokinase to regulate glucose homeostasis
Authors: Singh Sweta , Ghosh Payel , Sharma Shilpy , Bhargava Shobha , Kumar Ameeta Ravi 
Published: December 2023

AbstractMany synthetic glucokinase activators (GKAs), modulating glucokinase (GK), an important therapeutic target in diabetes have failed to clear clinical trials. In this study, an in silico structural similarity search with differing scaffolds of reference GKAs have been used to identify derivatives from natural product databases. Ten molecules with good binding score and similar interactions to that in the co‐crystallized GK as well good activation against recombinant human GK experimentally were identified. Tetrahydropalmatine, an alkaloid present in formulations and drugs from medicinal plants, has not been explored as an antidiabetic agent and no information regarding its mechanism of action or GK activation exists. Tetrahydropalmatine activates GK with EC50 value of 71.7 ± 17.9 μM while lowering the S0.5 (7.1 mM) and increasing Vmax (9.22 μM/min) as compared to control without activator (S0.5 = 10.37 mM; Vmax = 4.8 μM/min). Kinetic data (α and β values) suggests it to act as mixed, nonessential type activator. Using microscale thermophoresis, Kd values of 3.8 μM suggests a good affinity for GK. In HepG2 cell line, the compound potentiated the uptake of glucose and maintained glucose homeostasis by increasing the expression of GK, glycogen synthase, and insulin receptor genes and lowering the expression of glucokinase regulatory protein (GKRP) and glucagon. Tetrahydropalmatine at low concentrations could elicit a good response by reducing expression of GKRP, increasing expression of GK while also activating it. Thus, it could be used alone or in combination as therapeutic drug as it could effectively modulate GK and alter glucose homeostasis.
Measuring environmental and cost benefits of riparian buffers for drinking water production in a Midwest watershed
Authors: Wu May , Khalid Yusra , Mitchell Jeff , Ha Miae 
Published: December 2023

AbstractThis study focuses on the economic value and carbon benefits of riparian buffers in urban drinking water production. The impact of riparian buffers on the waterworks operation in the Raccoon River watershed was quantified using the following metrics: nitrate concentration, days of nitrate removal operation, material and energy cost (based on 17 years of historical records with a watershed model), regression, and cost analysis. The findings indicate that the presence of riparian buffers in agricultural land can substantially decrease nitrate concentration in the water intake of the waterworks during the crop‐growing season: 19% in April, 9% in May, and 11% in June. These reductions mean less nitrate treatment of the plant intake flow: 23% in April, 12% in May, and 3% in June. These changes lead to significant resource savings: 425 metric tons of sodium chloride (NaCl), 147 810 kWh of electricity, 253 metric tons of powdered activated carbon, and 20.8 million liters of fresh water. The buffers would also reduce greenhouse gas emissions by 86.9 metric tons (CO2 equivalent) in 17 years. The total cost saving was estimated at $327 326, with the highest potential savings in May ($215 100), followed by April ($65 465), and June ($46 761). When factoring in buffer installation, cropland loss, nitrate removal, and cost associated with buffer harvest for biofuel in an established biomass market, the benefit to the entire watershed community would be $2.63 million annually. The results underscore the significant cost benefits and environmental benefits associated with cropland riparian buffers in a watershed community. The approach employed in this study holds promise for assessing riparian buffer benefits in other watersheds, contributes to an understanding of sustainable water management practices, and provides a basis for decision making in a wide range of agricultural regions.
R‐Betone mit basaltfaserverstärkter Kunststoffbewehrung: Untersuchungen zum Verbund‐ und Zugtragverhalten
Authors: Glomb Daniel , Kustermann Andrea , Dauberschmidt Christoph , Wolf Benjamin , Pichlmayr Raphael 
Published: December 2023

AbstractDer Einsatz von R‐Betonen unterliegt in Deutschland Einschränkungen, die die Anwendung bei tausalzhaltigen Umgebungsbedingungen der Expositionsklassen XD3 und XS3 unterbinden. Um diese normativen Hürden zu überwinden, forscht die Hochschule München an dem Einsatz alternativer Bewehrungsmaterialien, bei denen die Bewehrungskorrosion ausgelöst durch Chloride gänzlich an Relevanz verliert. Dabei werden nichtrostende Faserverbundstäbe aus dem Vulkangestein Basalt, gebunden mit Harz, verwendet, die u. a. ökologische Vorteile gegenüber Verstärkungen aus Edelstahl, Glasfaser oder Carbon aufweisen. Die hier vorgestellten Untersuchungen zum Verbund‐ und Zugtragverhalten von basaltfaserverstärktem Kunststoff sind im Zuge eines aktuellen Forschungsvorhabens entstanden, das den Einsatz dieser Bewehrungsart in Brückenkappen aus R‐Beton betrachtet. Neben betontechnologischen Voruntersuchungen zum Einsatz von bis zu 100 % rezyklierter Gesteinskörnungen wurden Verbundkörper aus Recyclingbeton und Basaltfaserverbundkunststoff geprüft, um eine Aussage über das Tragverhalten unter statischer und zyklischer Belastung zu ermöglichen.
Synthesis and study of luminescence properties of a deep red–emitting phosphor K2LiAlF6:Mn4+ for plant cultivation
Authors: Bawanthade Bharti P. , Mistry Ashok A. , Ugemuge Nilesh S. , Dhoble Sanjay J. 
Published: December 2023

AbstractLight is the most important component in plant growth and development. This study synthesised a novel Mn4+‐doped K2LiAlF6 red‐emitting phosphor using the coprecipitation method. We observed that on addition of dopant Mn4+ ions to the host K2LiAlF6, its phase changed from rhombohedral to cubic due to the change in the lattice position of the atoms. When the atoms are excited at 468 nm, the K2LiAlF6:Mn4+ phosphor exhibited a red emission band ranging from 630 to 700 nm, centred at 638 nm, which matched well with the absorption spectra of phytochrome PR. The critical quenching content of Mn4+ ions was ~3 mol%. The critical distance between Mn4+ ions was determined to be 19.724 Å, and non‐radiative energy transfer among the nearest‐neighbour Mn4+ ions was the mechanism used for the concentration quenching effect. The Commission International de l'Eclairage (CIE) chromaticity coordinates of the K2LiAlF6:0.03 Mn4+ sample were (x = 0.7162, y = 0.2837). The luminescence mean decay time was calculated to be 8.29 ms. These results demonstrated the promising prospect of K2LiAlF6:Mn4+ as a red‐emitting phosphor for application in red light‐emitting diodes for plant cultivation.
Immobilization of Cyclodextrin glycosyltransferase onto three dimensional‐ hydrophobic and two dimensional‐ hydrophilic supports: A comparative study
Authors: Ogunbadejo Babatunde A. , Aljahoushi Khawla A. , Alzamly Ahmed , Greish Yaser E. , Al‐Zuhair Sulaiman 
Published: December 2023

AbstractCyclodextrin glycosyltransferase (CGTase) degrades starch into cyclodextrin via enzymatic activity. In this study, we immobilize CGTase from Thermoanaerobacter sp. on two supports, namely graphene nanoplatelets (GNP) consisting of short stacks of graphene nanoparticles and a calcium‐based two‐dimensional metal organic framework (Ca‐TMA). The uptakes of CGTase on GNP and Ca‐TMA reached 40 and 21 mg g−1 respectively, but immobilized CGTase on Ca‐TMA showed a higher specific activity (38 U mg−1) than that on GNP (28 U mg−1). Analysis of secondary structures of CGTase, shows that immobilization reduces the proportion of β‐sheets in CGTase from 56% in the free to 49% and 51.3% for GNP and Ca‐TMA respectively, α‐helix from 38.5% to 18.1 and 37.5%, but led to increased β‐turns from 5.5 to 40% and 11.2% for GNP and Ca‐TMA, respectively. Lower levels of conformational changes were observed over the more hydrophilic Ca‐TMA compared to hydrophobic GNP, resulting in its better activity. Increased β‐turns were found to correlate with lower β‐CD production, while more β‐sheets and α‐helix favored more β‐CD. Reusability studies revealed that GNP retains up to 74% of initial CGTase activity, while Ca‐TMA dropped to 33% after eight consecutive uses. The results obtained in this work provide insight on the effect of support's surface properties on CGTase performance and can assist in developing robust CGTase‐based biocatalysts for industrial application.
Metabolic regulatory network kinetic modeling with multiple isotopic tracers for iPSCs
Authors: Wang Keqi , Xie Wei , Harcum Sarah W. 
Published: December 2023

AbstractThe rapidly expanding market for regenerative medicines and cell therapies highlights the need to advance the understanding of cellular metabolisms and improve the prediction of cultivation production process for human induced pluripotent stem cells (iPSCs). In this paper, a metabolic kinetic model was developed to characterize the underlying mechanisms of iPSC culture process, which can predict cell response to environmental perturbation and support process control. This model focuses on the central carbon metabolic network, including glycolysis, pentose phosphate pathway, tricarboxylic acid cycle, and amino acid metabolism, which plays a crucial role to support iPSC proliferation. Heterogeneous measures of extracellular metabolites and multiple isotopic tracers collected under multiple conditions were used to learn metabolic regulatory mechanisms. Systematic cross‐validation confirmed the model's performance in terms of providing reliable predictions on cellular metabolism and culture process dynamics under various culture conditions. Thus, the developed mechanistic kinetic model can support process control strategies to strategically select optimal cell culture conditions at different times, ensure cell product functionality, and facilitate large‐scale manufacturing of regenerative medicines and cell therapies.
In vivo pharmacokinetic study of vanillic acid in monocrotaline‐induced pulmonary arterial hypertension rats and its tissue distribution
Authors: A Xuxia , Huayu Meiduo , Li Zhanqiang , Su Shanshan 
Published: December 2023

AbstractVanillic acid (VA) is a bioactive chemical present in many food plants and fruits. It has been shown to have a protective effect on pulmonary tissues in monocrotaline‐induced pulmonary arterial hypertension, as well as an intervention effect on right ventricular remodeling. The purpose of this study was to develop and test a reliable method for assessing VA utilizing ultra‐performance liquid chromatography–high resolution mass spectrometry using caffeic acid as the internal standard. Across diverse substrates, the correlation coefficient for VA ranged from 0.9992 to 0.9995. The method’s intraday precision was <13.53% (RSD), and its accuracy (RE) ranged from −9.88 to 4.35%. The precision across days was <13.69% (RSD), while the accuracy ranged from 2.16 to 10.94% (RE). The extraction recoveries ranged from 80.30 to 118.81%, with a lower limit of quantification of 20 ng/mL. The approach was successfully applied to pharmacokinetic and tissue distribution studies of VA in rat plasma after gavage administration, and the pharmacokinetic parameters of VA in the plasma of the monocrotaline‐induced pulmonary arterial hypertension were significantly different from those of the control group.
Talk or walk? The board of directors and firm environmental strategies
Authors: Taglialatela Jonathan , Miroshnychenko Ivan , Barontini Roberto , Testa Francesco 
Published: December 2023

AbstractDrawing on legitimacy theory, we study the nexus between green communication and the implementation of green practices, and in particular, we focus on the determinants of their discrepancy. Based on a large sample of firms in 58 countries over a 19‐year period, we employ an index to measure the discrepancy between green operations and the communicated practices, mapped to each firm's board structure. The results provide the first empirical evidence that larger, more gender‐diverse, and more independent boards are associated with a preponderance of green communication over implementation. We interpret this imbalance as a strategy to participate in the public discourse to gain moral legitimacy. Conversely, CEO duality is associated with a discrepancy in the opposite direction, with firms focusing more on implementing green practices than talking about them, suggesting that these firms aim mainly at gaining pragmatic legitimacy from their stakeholders.