bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective Extraction of Critical Metals from Spent Li‐Ion Battery Cathode: Cation–Anion Coordination and Anti‐Solvent Crystallization
Authors: Lyu Yanqiu , Yuwono Jodie A. , Fan Yameng , Li Jingxi , Wang Jingxiu , Zeng Rong , Davey Kenneth , Mao Jianfeng , Zhang Chaofeng , Guo Zaiping 
Published: March 2024

AbstractOwing to continuing global use of lithium‐ion batteries (LIBs), in particular in electric vehicles (EVs), there is a need for sustainable recycling of spent LIBs. Deep eutectic solvents (DESs) are reported as “green solvents” for low‐cost and sustainable recycling. However, the lack of understanding of the coordination mechanisms between DESs and transition metals (Ni, Mn and Co) and Li makes selective separation of transition metals with similar physicochemical properties practically difficult. Here, it is found that the transition metals and Li have a different stable coordination structure with the different anions in DES during leaching. Further, based on the different solubility of these coordination structures in anti‐solvent (acetone), a leaching and separation process system is designed, which enables high selective recovery of transition metals and Li from spent cathode LiNi1/3Co1/3Mn1/3O2 (NCM111), with recovery of acetone. Recovery of spent LiCoO2 (LCO) cathode is also evidenced and a significant selective recovery for Co and Li is established, together with recovery and reuse of acetone and DES. It is concluded that the tuning of cation–anion coordination structure and anti‐solvent crystallization are practical for selective recovery of critical metal resources in the spent LIBs recycling.
Discovery of Selective and Potent ATR Degrader for Exploration its Kinase‐Independent Functions in Acute Myeloid Leukemia Cells
Authors: Wang Yubo , Wang Ruonan , Zhao Yanli , Cao Sheng , Li Chen , Wu Yanjie , Ma Lan , Liu Ying , Yao Yuhong , Jiao Yue , Chen Yukun , Liu Shuangwei , Zhang Kun , Wei Mingming , Yang Cheng , Yang Guang 
Published: March 2024

AbstractATR has emerged as a promising target for anti‐cancer drug development. Several potent ATR inhibitors are currently undergoing various stages of clinical trials, but none have yet received FDA approval due to unclear regulatory mechanisms. In this study, we discovered a potent and selective ATR degrader. Its kinase‐independent regulatory functions in acute myeloid leukemia (AML) cells were elucidated using this proteolysis‐targeting chimera (PROTAC) molecule as a probe. The ATR degrader, 8 i, exhibited significantly different cellular phenotypes compared to the ATR kinase inhibitor 1. Mechanistic studies revealed that ATR deletion led to breakdown in the nuclear envelope, causing genome instability and extensive DNA damage. This would increase the expression of p53 and triggered immediately p53‐mediated apoptosis signaling pathway, which was earlier and more effective than ATR kinase inhibition. Based on these findings, the in vivo anti‐proliferative effects of ATR degrader 8 i were assessed using xenograft models. The degrader significantly inhibited the growth of AML cells in vivo, unlike the ATR inhibitor. These results suggest that the marked anti‐AML activity is regulated by the kinase‐independent functions of the ATR protein. Consequently, developing potent and selective ATR degraders could be a promising strategy for treating AML.
Promoted catalytic performance of sugarcane bagasse ash supported by γ‐alumina as efficient, stable, and ecofriendly catalyst for dehydration of methanol to dimethyl ether
Authors: Said Abd El‐Aziz A. , Goda Mohamed N. , Abd El‐Wahab Mohamed M. M. , El‐Gamal Nadia O. , El‐Aal Mohamed Abd 
Published: March 2024

AbstractThe aim of this study was to use different proportions (1% to 20% by weight) of γ‐alumina to modify sugarcane bagasse ash (SCBA) for the production of dimethyl ether (DME) through the dehydration of methyl alcohol. A simple precipitation method was utilized to fabricate (1–20 wt.%) Al2O3/SCBA catalysts. X‐ray fluorescence, X‐ray diffraction, Fourier‐transform infrared spectroscopy, transmission electron microscopy, and N2 sorption were used to explore the structural, spectroscopic, morphological, and textural features. The XRD pattern of Al2O3/SCBA catalysts showed a new peak that corresponded to the formation of γ‐Al2O3. In addition, the average crystallite sizes of pure SCBA and 10% and 20%Al2O3/SCBA catalysts were calculated and found to be 20.1, 21.6, and 22.6 nm, respectively. To evaluate the acidity of these catalysts, the dehydration of isopropyl alcohol and the chemisorption of basic probe molecules were employed. The acidity test results displayed that these catalysts have weak to moderate acidic sites. The 10% Al2O3/SCBA catalyst calcined at 400°C showed high efficiency for the conversion of methyl alcohol to DME, attaining 89% conversion with 100% selectivity. This observation can be attributed to the even distribution of active sites and the acid–base equilibrium on the surface. Moreover, its catalytic activity and selectivity remain unchanged over a continuous 2‐week operation without coke formation, demonstrating its extremely high stability. A strong correlation was observed between the catalytic activity and both the surface area and acidity of the catalysts.
Phosphatidic Acid Promoting the Generation of Interleukin‐17A Producing Double‐Negative T Cells by Enhancing mTORC1 Signaling in Lupus
Authors: Li Wenjing , Tang Xiaojun , Zheng Yuanyuan , Xu Xuefeng , Zhao Nan , Tsao Betty P. , Feng Xuebing , Sun Lingyun 
Published: March 2024

ObjectiveThe goal was to investigate the role and intracellular regulatory mechanisms of double‐negative T (DNT) cells in the pathogenesis of systemic lupus erythematosus (SLE).MethodsDNT cells were assessed in murine models, patients with SLE, and controls using flow cytometry (FCM). DNT cells from either resiquimod (R848) or vehicle‐treated C57BL/6 (B6) mice were cultured with B cells from R848‐treated mice to explore functions. Differential mechanistic target of rapamycin (mTOR) pathway signaling in DNT cells measured using FCM and quantitative polymerase chain reaction was validated by rapamycin inhibition. Candidate lipid metabolites detected using liquid chromatography with electrospray ionization mass spectrometry/mass spectrometry were functionally assessed in DNT cell cultures.ResultsDNT cells were markedly increased in both spontaneous and induced mouse lupus models and in patients with SLE. Expanded DNT cells from R848‐treated B6 mice produced elevated interleukin (IL)‐17A and IgG with increased germinal center B (GCB) cells. Expansion of DNT cells associated with activation of mTORC1 pathway that both IL‐17A levels and the number of DNT cells exhibited dose‐dependent reduction with rapamycin treatment. Lipidomics studies revealed differential patterns of lipid metabolites in T cells of R848‐treated mice. Among candidate metabolites, elevated phosphatidic acid (PA) that was partially controlled by phospholipase D2 increased the expression of the mTORC1 downstream target p‐S6 and positively expanded IL‐17A–producing DNT cells. Similarly, elevated proportions of circulating DNT cells in patients with SLE correlated with disease activity and proteinuria, and IL‐17A secretion was elevated after in vitro PA stimulation.ConclusionThe accumulation of PA in T cells could activate the mTORC1 pathway, promoting DNT cell expansion and IL‐17A secretion, resulting in GCB cell abnormalities in lupus.image
Observer‐based dual event‐triggered control for non‐weighted L2‐gain of switched linear systems
Authors: Zhang Ziyu , Yang Xinsong , Park Ju H. , Xu Zhilu 
Published: March 2024

AbstractAs everyone knows, strict mode‐dependent event‐triggered mechanism (MDETM) is rarely studied for switched systems due to the difficulty in settling down the relationship between the dwell time (DT) and triggered intervals. This problem is satisfactorily solved by considering the exponential stabilization via observer‐based dual MDETMs in switched linear systems. The dual MDETMs on the sensor‐controller (S‐C) channel and controller‐actuator (C‐A) channel are designed respectively according to mode‐dependent average dwell time (MDADT). The MDETMs on the C‐A channel are generated based on the MDETMs on the S‐C channel, which makes the new control technique strict mode‐dependent and reduces conservatism as much as possible. Furthermore, when there exists external disturbance, a non‐weighted
‐gain with better performance than existing results is given. By studying an augmented system, exponential stabilization is achieved through a new event‐triggered state estimation (ETSE) and dual MDETMs. The observer gain, controller gain, and non‐weighted
‐gain are derived through an effective algorithm. Finally, two numerical examples are given to illustrate the effectiveness of theoretical research.
Utility of green chemistry for sustainable fluorescence derivatization approach for spectrofluorimetric quantification of Darolutamide as antineoplastic drug in pharmaceutical formulation and spiked human plasma
Authors: Salem Hesham , Abdelmajed Mahmoud A. , Rabiey Mahmoud , Saied Omar , Amir Michael , Abdelgalil Mahmoud 
Published: March 2024

AbstractDarolutamide is an oral nonsteroidal androgen receptor antagonist used to delay the process of prostate cancer to metastatic disease and to increase the quality of life for people with advanced prostate cancer. Here, a second spectrofluorimetric method was advanced for quantifying Darolutamide in pharmaceutical formulation and spiked human plasma. This method depends on the fluorescence derivatization of Darolutamide with 4‐chloro‐7‐nitrobenzo‐2‐oxa‐1,3‐diazole (NBD‐Cl) at 75°C in a (pH 9) of borate buffer to produce a fluorescent derivative that can be detected at 520 nm after excitation at 460 nm. The method has been validated using ICH criteria, and it demonstrated linearity in the range 5–200 ng ml−1. The limit of detection (LOD) and limit of quantitation (LOQ) were 1.15 and 3.84 nm, respectively. The proposed method was applied precisely and accurately for quantifying Darolutamide within the pharmaceutical formulation and spiking human plasma without any interferences. Moreover, the method's sustainability was evaluated and compared with the published method using two greenness assessment tools termed analytical eco‐scale and Analytical GREEnness (AGREE). These findings suggest that the method is more sustainable than the published method.
Sustainability practices and firm performance: The moderating role of firm‐, industry‐, and country‐level factors
Authors: Siregar Sylvia Veronica , Mita Aria Farah , Amarullah Fitriany , Mahmud Radziah 
Published: March 2024

AbstractThe purpose of this study is to examine the effect of sustainability practices on firm performance and the moderating role of firm, industry, and country‐level factors on that association. The samples of our study are listed firms in ASEAN 5 (Indonesia, Singapore, Malaysia, Thailand, and the Philippines), with total observations are 1069 from the years 2004–2019. We use regression analysis to test our hypotheses. We find that sustainability performance has a significant positive association with firm performance, which supports our prediction. By engaging in socially responsible activities, companies can gain trust and loyalty from customers and other stakeholders, maintain their competitive advantage, and thus higher financial performance. However, there are no significant differences in the financial performance between firms that issue stand‐alone sustainability reports and those that do not. We cannot find any significant moderating role of the firm, industry‐, and country‐level factors on the association between sustainability practices and firm performance. We have not found any extant studies that have examined firm‐, industry‐, and country‐level factors simultaneously on the association between sustainability practices and firm performance. Our study also contributes to a better understanding of the impact of sustainability practices on firm performance in ASEAN, where sustainability practices are expected to be in greater demand than in mature markets due to the higher social and environmental concerns in such regions.
Effects of Naphthoquinones from the Roots of Onosma Armeniacum Klokov on Wound Healing
Authors: Küpeli Akkol Esra , Subaş Tuğba , Özgen Ufuk , Süntar Ipek , Ilhan Mert , Keleş Hikmet 
Published: March 2024

AbstractIn Turkish folk medicine, the roots of Onosma armeniacum Klokov are used to heal wounds, burns, hemorrhoids, hoarseness, dyspnea, stomach ulcers, and abdominal aches. The objective was to evaluate the plant‘s ethnopharmacological applications using in vivo pharmacological experimental models. In vivo linear incision and circular excision the wound models were used to assess the wound healing activity along with histopathological investigation. The active component(s) were isolated and identified after being exposed to several chromatographic separation procedures on the primary extract. The n‐hexane‐dichloromethane mixture extract was subjected to chromatographic separation after the wound‐healing activity was confirmed. Deoxyshikonin (1), β,β‐dimethylacrylshikonin (2), α‐methyl‐n‐butylshikonin (3), isovalerylshikonin (4), acetylshikonin (5), β‐hydroxyisovalerylshikonin (6), and 5,8‐O‐dimethylacetylshikonin (7) were identified as the structures of the isolated compounds. The efficacy of O. armeniacum to heal wounds was investigated in this study. Shikonin derivatives were identified as the primary active components of the roots by bioassay‐guided fractionation and isolation procedures.
Bioactivities and Action Mechanisms of Ellipticine Derivatives Reported Prior to 2023
Authors: Hou Wen , Xu Xin‐Liang , Huang Le‐Jun , Zhang Zhen‐Yu , Zhou Zhi‐Nuo , Wang Jin‐Yang , Ouyang Xi , Xin Su‐Ya , Zhang Zi‐Yun , Xiong Yi , Huang Hao , Lan Jin‐Xia 
Published: March 2024

AbstractCurrently, natural products are one of the priceless options for finding novel chemical pharmaceutical entities. Ellipticine is a naturally occurring alkaloid isolated from the leaves of Ochrosia elliptica Labill. Ellipticine and its derivatives are characterized by multiple biological activities. The purpose of this review was to provide a critical and systematic assessment of ellipticine and its derivatives as bioactive molecules over the last 60 years. Publications focused mainly on the total synthesis of alkaloids of this type without any evaluation of bioactivity have been excluded. We have reviewed papers dealing with the synthesis, bioactivity evaluation and mechanism of action of ellipticine and its derivatives. It was found that ellipticine and its derivatives showed cytotoxicity, antimicrobial ability, and anti‐inflammatory activity, among which cytotoxicity toward cancer cell lines was the most investigated aspect. The inhibition of DNA topoisomerase II was the most relevant mechanism for cytotoxicity. The PI3K/AKT pathway, p53 pathway, and MAPK pathway were also closely related to the antiproliferative ability of these compounds. In addition, the structure‐activity relationship was deduced, and future prospects were outlined. We are confident that these findings will lay a scientific foundation for ellipticine‐based drug development, especially for anticancer agents.
Aloe juvenna Brandham & S.Carter as α‐Amylase Inhibitor and Hypoglycaemic Agent with Anti‐inflammatory Properties for Diabetes Management
Authors: El‐Mouty Raslan Mona Abd , Kassem Iman AbdelKhalek AbdelKhalek , Ghaly Neveen Sabry , El‐Manawaty May Aly , Melek Farouk Rasmy , Nabil Marian 
Published: March 2024

AbstractDespite Aloe’s traditional use, Aloe juvenna Brandham & S.Carter is poorly characterized. Other Aloes are known for their antidiabetic activity. This study describes the antidiabetic potentials and phytoconstituents of the A. juvenna leaves methanolic extract (AJME). Twenty‐six phytoconstituents of AJME were described using HPLC/MS‐MS. Lupeol and vitexin were isolated using column chromatography. The antidiabetic activity of AJME was investigated using an in vivo high‐fat diet/streptozotocin‐induced diabetic rat model and in vitro α‐glucosidase and α‐amylase inhibitory activity assays. AJME demonstrated its α‐amylase inhibitory activity (IC50=313±39.9 ppm) with no effect on α‐glucosidase. In vivo, AJME dose‐dependently improved hyperglycaemia in a high‐fat diet/streptozotocin‐induced diabetic rat model. Notably, the higher dose (1600 mg/kg) of AJME significantly downregulated serum interleukin‐6, tumor necrosis factor‐α, and matrix metalloproteinase‐1 genes, suggesting its anti‐inflammatory effect. These findings indicate AJME′s potential as a significant antidiabetic agent through its α‐amylase inhibition, hypoglycaemic, and anti‐inflammatory properties.
CO2 Hydrogenation to Hydrocarbons over Fe‐Based Catalysts: Status and Recent Developments
Authors: Krausser Laura , Yang Qingxin , Kondratenko Evgenii V. 
Published: March 2024

AbstractTo control anthropogenic CO2 emissions worldwide, it is necessary not only to align the chemical industry and energy sector with renewable resources but also to implement large‐scale utilization of CO2 as a feedstock. The Fe‐catalyzed CO2‐modified Fischer‐Tropsch Synthesis (CO2‐FTS) is one of the most promising options for efficient CO2 utilization, as it can be used to synthesize desired higher hydrocarbons (C2+), including lower olefins (C2=‐C4=), the main building blocks of the chemical industry, and long‐chain hydrocarbons (C5+), which can be used as fuels. To optimize catalyst and process design for the purpose of developing an economically viable industrial process, the reaction mechanism and the factors controlling product selectivity need to be fully understood. This article discusses the current state‐of‐the‐art in catalyst design and approaches for making effective progress in addressing these challenges.
Ligand Centered Reactivity of a Transition Metal Bound Geometrically Constrained Phosphine
Authors: King Aaron J. , Goicoechea Jose M. 
Published: March 2024

AbstractThe electronic properties, coordination chemistry and reactivity of metal complexes of a planar (C2v symmetric) acridane‐derived geometrically constrained phosphine, P(NNN), are described. On complexation to metal centers, the phosphine was found to adopt a distorted trigonal pyramidal structure with a high barrier to pyramidal inversion (22.3 kcal/mol at 298 K for Au[P(NNN)]Cl). Spectroscopic data and theoretical calculations carried out at the density functional level of theory indicate that P(NNN) is a moderate σ‐donor, with significant π‐acceptor properties. Despite the distortion undergone by the phosphorus atom on coordination to metal centers, the P(NNN) ligand retains its ability to react with small molecule substrates with polar E−H bonds (MeOH, NH2Ph, NH3). It does so in a concerted fashion across one of the P−N bonds, and reversibly in the case of amine substrates. This cooperative bond activation chemistry may ultimately prove beneficial in catalysis.
Redox‐Neutral Multicatalytic Cerium Photoredox‐Enabled Cleavage of O−H Bearing Substrates
Authors: Morris Avery O. , Barriault Louis 
Published: March 2024

AbstractThe need for synthetic methodologies capable of rapidly altering molecular structure are in high demand. Most existing methods to modify scaffolds rely on net exothermicity to drive the desired transformation. We sought to develop a general strategy for the cleavage of C−C bonds β to hydroxyl groups independent of inherent substrate strain. To this end we have applied a multicatalytic cerium photoredox‐based system capable of activating O−H bonds in lactols to deliver formate esters. The same system is also capable of effecting hydrodecarboxylation and hydrodecarbonylation reactions. Initial mechanistic probes demonstrate atomic chlorine (Cl⋅) is generated under the reaction conditions, but substrate activation through cerium‐alkoxides or ‐carboxylates cannot be ruled out.
Modelling and dynamic simulation to produce fermentable sugars from lignocellulosic substrates through dilute acid hydrolysis
Authors: Velázquez‐Herrera Luis Antonio , Cobos‐Murcia José Ángel , Bolaños‐Reynoso Eusebio , López‐Zamora Leticia 
Published: March 2024

AbstractThis research paper presents a comprehensive investigation aimed at enhancing the 2G bioethanol production process through the implementation of a dynamic process simulator. The simulator, developed using the Julia programming language, enables the prediction of acid hydrolysis behaviour by manipulating critical variables, including liquid–solid ratio (LSR), acid concentration (CA), and processing time (t). Through meticulous simulations and subsequent experimental validation, optimal operating conditions were revealed, with an H2SO4 concentration of 2% v/v, a LSR of 4% v/w, and 60‐min processing time at 121.1°C. This configuration led to remarkable outcomes, including a xylose concentration of 47.45 g L−1 and an 87.4% hemicellulose removal percentage. Moreover, the simulator unveiled the adverse influence of low LSR values on xylose production and the generation of degradation products. The recalibration of kinetic parameters, guided by experimental data, further fine‐tuned the simulator's predictive accuracy. Overall, this study underscores the potential of the simulator in optimizing various raw materials and presents a promising avenue for advancing 2G bioethanol industry practices.
Neighbor cleaning learning based cost‐sensitive ensemble learning approach for software defect prediction
Authors: Li Li , Su Renjia , Zhao Xin 
Published: March 2024

SummaryThe class imbalance problem in software defect prediction datasets leads to prediction results that are biased toward the majority class, and the class overlap problem leads to fuzzy boundaries for classification decisions, both of which affect the model's prediction performance on the dataset. A neighbor cleaning learning (NCL) is an effective technique for defect prediction. To solve the class overlap problem and class imbalance problem, the NCL‐based cost‐sensitive ensemble learning approach for software defect prediction (NCL_CSEL) model is proposed. First, the bootstrap resampled data are trained using the base classifier. Subsequently, multiple classifiers are integrated by a static ensemble to obtain the final classification results. As the base classifier, the Adaptive Boosting (AdaBoost) classifier combining NCL and cost‐sensitive learning is proposed, and the class overlap problem and class imbalance problem are solved by balancing the proportion of overlap sample removal in NCL and the size of the cost factor in cost‐sensitive learning. Specifically, the NCL algorithm is used to initialize the sample weights, while the cost‐sensitive method is employed to update the sample weights. Experiments based on the NASA dataset and AEEEM dataset show that the defect prediction model can improve the bal value by approximately 7% and the AUC value by 9.5% when the NCL algorithm is added. NCL_CSEL can effectively solve the class imbalance problem and significantly improve the prediction performance compared with existing methods for solving the class imbalance problem.