bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Phosphoramidate Prodrug Platform: One‐Pot Amine Functionalization of Kinase Inhibitors with Oligoethylene Glycol for Improved Water‐Solubility
Authors: Spiewok Sarah , Lamla Markus , Schaefer Maximilian , Kuehne Alexander J. C. 
Published: June 2024

AbstractSmall molecular kinase inhibitors play a key role in modern cancer therapy. Protein kinases are essential mediators in the growth and progression of cancerous tumors, rendering involved kinases an increasingly important target for therapy. However, kinase inhibitors are almost insoluble in water because of their hydrophobic aromatic nature, often lowering their availability and pharmacological efficacy. Direct drug functionalization with polar groups represents a simple strategy to improve the drug solubility, availability, and performance. Here, we present a strategy to functionalize secondary amines with oligoethylene glycol (OEG) phosphate using a one‐pot synthesis in three exemplary kinase inhibiting drugs Ceritinib, Crizotinib, and Palbociclib. These OEG‐prodrug conjugates demonstrate superior solubility in water compared to the native drugs, with the solubility increasing up to 190‐fold. The kinase inhibition potential is only slightly decreased for the conjugates compared to the native drugs. We further show pH dependent hydrolysis of the OEG‐prodrugs which releases the native drug. We observe a slow release at pH 3, while the conjugates remain stable over 96 h under physiological conditions (pH 7.4). Using confocal microscopy, we verify improved cell uptake of the drug‐OEG conjugates into the cytoplasm of HeLa cells, further supporting our universal solubility approach.
Dissolution of g‐C3N4 Using Zinc Chloride Molten Salt Hydrates for Nanobelt Fabrication and Photocatalytic H2O2 Production
Authors: Shen Dazhi , Imbault Alexander Luis , Balati Gulimire , Ouyang Jie , Li Yunhua 
Published: June 2024

AbstractGraphitic‐carbon nitride (g‐C3N4), a metal‐free two‐dimensional layered semiconductor material, holds great potential for energy conversion, environmental remediation, and sensing. However, the limited solubility of g‐C3N4 in conventional solvents hinders its widespread application. Improving the dissolution of g‐C3N4 in the liquid phase is highly desired but challenging. Herein, we report an innovative approach to dissolve g‐C3N4 using ZnCl2 molten salt hydrates. The solubility of g‐C3N4 in the solution reaches up to 200 mg mL−1. Density functional theory (DFT) results suggest that ZnCl+H2O is the key species that leads to charge redistribution on g‐C3N4 surface and promotes the dissolution of carbon nitride in the solution. Furthermore, through dilution, the dissolved carbon nitride can be effectively recovered while maintaining its intrinsic chemical structure. The resultant regenerated C3N4 (r‐C3N4) exhibits nanobelt morphology and demonstrates a substantially improved photocatalytic activity in H2O2 production. The rate of H2O2 production over the r‐C3N4 reaches 20,228 μmol g−1 h−1, which is 6.2 times higher than that of pristine g‐C3N4. This green and efficient dissolution route of g‐C3N4 offers an effective approach for its diverse applications.
Optimizing removal of elemental mercury from flue gas using halide‐impregnated red mud
Authors: Sarfraz Muhammad , Li Yang , Yang He , Jin Lijun , Hu Haoquan 
Published: June 2024

AbstractMercury (Hg0) emission from coal‐fired industrial plants poses severe threats to ecosystem sustainability and human health, urging the development of novel and cost‐effective adsorbents to treat industrial flue gas. Herein, the modification of industrial residual red mud (RM) through the impregnation of hydrogen halides (HH) and its adsorption characteristics for removing elemental mercury from combustion flue gas was reported. Experimental investigation of HH‐modified RM reveals that the hydrogen iodide (HI)‐modified RM with a concentration of 1.5 M had a maximum Hg0 removal efficiency of 98%, whereas hydrogen bromide (HBr) 1.5 M modified RM had a maximum Hg0 removal efficiency of 90%. The effect of various parameters, such as reaction temperature and halide concentrations, were also found to be influential for the adsorption efficiency of the modified RM. Moreover, it is important to highlight the chemisorption characteristics of HI‐modified RM, which significantly enhances the efficiency of the removal process. The Hg0 removal efficiency increases with the increase in HI concentration (1.5 M @ 93%) with an optimal reaction temperature of 140°C. Furthermore, the maximum Hg0 removal attained with a change in NO concentration was 98% at 200 ppm. However, increasing the SO2 concentration reduces the efficiency of RM for removing Hg0 in simulated coal combustion flue gas. The pseudo‐second‐order model (R2 = 0.98) accurately describes the adsorption of in kinetic investigations, indicating a chemisorption mechanism. This analysis of the chemisorption mechanism highlights the efficiency of halide‐modified industrial solid waste, which has the potential to be used in the design of economical and innovative adsorbents for reducing environmental pollution. The present study employed specific reaction parameters such as reaction temperature, halide loading contents, and different flue gas compositions, which had not been extensively explored.
A New Polymorphic Form of Maltol: Crystallization and Structure Refinement
Authors: Srinivasan Kavipriya , Karuppannan Srinivasan 
Published: June 2024

AbstractA new polymorph of maltol, a food and intermediate pharmaceutical material, is discovered through solution crystallization process using a mixed solvent of water and ethanol with l‐menthol as an additive. It belongs to monoclinic crystal system with lattice parameters: a = 7.136(8) Å, b = 24.23(3) Å, c = 7.020(8) Å, and β = 106.22(3)°, volume = 1165 (2) Å3 and the refinement factor is R = 6.64%. With single crystal X‐ray diffraction (SCXRD) data as input, the intermolecular interactions between the new polymorph of maltol is investigated through Hirshfeld surface analysis, the higher percentage of overall interaction between the polymorph (H…H) interaction, and the (O…H) interaction contributes more to the generation of new polymorph. The 2D finger print plot depicts the interactions are mainly due to the hydrogen bonds.
Conserving ecosystem integrity: Ecological theory as a guide for marine protected area monitoring
Authors: Dunham Anya , Iacarella Josephine C. , Hunter Karen L. , Davies Sarah C. , Dudas Sarah , Gale Katie S. P. , Rubidge Emily , Archer Stephanie K. 
Published: June 2024

AbstractGlobal policies increasingly focus on the importance of maintaining or improving the integrity of ecosystems, but defining, assessing, and monitoring integrity in marine protected areas (MPAs) remains a challenge. In this paper, we conceptualized ecological integrity along dimensions of heterogeneity and stability containing seven components: physical structure, diversity, function, persistence, resistance, resilience, and natural variability. Through a structured literature search, we identified indicators and metrics used for quantifying ecosystem status components in the marine environment, then reviewed MPA management plans worldwide for inclusion of these components. We evaluated 202 papers applying 83 ecological indicators built from 72 metrics. Ecosystem components were most comprehensively addressed by metrics of taxa presence, organisms count, and area occupied by benthic organisms, and community structure, biomass, and percent cover indicators. Of the 557 MPA management plans we reviewed globally, 93% used at least one ecosystem status term or its synonym in an ecologically relevant context, but 39% did not address any components of stability. In particular, resistance was mentioned in only 1% of management plans, but in some cases it may be inferred from indicators and metrics used to track the best addressed component in management plans, diversity. Plans for MPAs with both an ecological/biological purpose and a research and education purpose contained ecosystem status terms more frequently than other plans, suggesting that engagement with the scientific community may have improved the application of these terms. An improved understanding of how to operationalize and measure ecological integrity can help MPA monitoring and management.
Environmental determinants of phylogenetic diversity in vernal pool habitats
Authors: Hendrickson Brandon 
Published: June 2024

AbstractPhylogenetic diversity offers critical insights into the ecological dynamics shaping species composition and ecosystem function, thereby informing conservation strategies. Despite its recognized importance in ecosystem management, the assessment of phylogenetic diversity in endangered habitats, such as vernal pools, remains limited. Vernal pools, characterized by cyclical inundation and unique plant communities, present an ideal system for investigating the interplay between ecological factors and phylogenetic structure. This study aims to characterize the phylogenetic patterns of vernal pools and their associated vegetation zones, addressing questions about taxonomic and phylogenetic community discreteness, the role of flooding as a habitat filter, the influence of invasive species on phylogenetic structure, and the impact of seasonal variation on phylogenetic diversity. I find that zones‐of‐vegetation exhibit high between zone taxonomic and phylogenetic beta diversity whereas each zone forms a unique cluster, suggesting that zones are taxonomically and phylogenetically discrete units. Regions of high‐inundation pressure exhibit phylogenetic clustering, indicating that flooding is a habitat filter in vernal pool habitats. Competition between native species conform to the ‘competitive relatedness hypothesis’ and, conversely, communities dominated by invasive Eurasian grass species are phylogenetically clustered. In addition, I find that phylogenetic diversity within zones fluctuates across the spring season in response to changing water levels, precipitation, and temperature. By analyzing three pools within the Merced Vernal Pool and Grassland Reserve, this research elucidates the phylogenetic dynamics of vernal pools. The findings underscore the need for tailored conservation strategies that account for the unique ecological characteristics of each vegetation zone within vernal pool habitats.
Online toolkits for collaborative and inclusive global research in urban evolutionary ecology
Authors: Savage Amy M. , Willmott Meredith J. , Moreno‐García Pablo , Jagiello Zuzanna , Li Daijiang , Malesis Anna , Miles Lindsay S. , Román‐Palacios Cristian , Salazar‐Valenzuela David , Verrelli Brian C. , Winchell Kristin M. , Alberti Marina , Bonilla‐Bedoya Santiago , Carlen Elizabeth , Falvey Cleo , Johnson Lauren , Martin Ella , Kuzyo Hanna , Marzluff John , Munshi‐South Jason , Phifer‐Rixey Megan , Stadnicki Ignacy , Szulkin Marta , Zhou Yuyu , Gotanda Kiyoko M. 
Published: June 2024

AbstractUrban evolutionary ecology is inherently interdisciplinary. Moreover, it is a field with global significance. However, bringing researchers and resources together across fields and countries is challenging. Therefore, an online collaborative research hub, where common methods and best practices are shared among scientists from diverse geographic, ethnic, and career backgrounds would make research focused on urban evolutionary ecology more inclusive. Here, we describe a freely available online research hub for toolkits that facilitate global research in urban evolutionary ecology. We provide rationales and descriptions of toolkits for: (1) decolonizing urban evolutionary ecology; (2) identifying and fostering international collaborative partnerships; (3) common methods and freely‐available datasets for trait mapping across cities; (4) common methods and freely‐available datasets for cross‐city evolutionary ecology experiments; and (5) best practices and freely available resources for public outreach and communication of research findings in urban evolutionary ecology. We outline how the toolkits can be accessed, archived, and modified over time in order to sustain long‐term global research that will advance our understanding of urban evolutionary ecology.
Response of soil inorganic nitrogen dynamics to planting age and vegetation type in artificial sand‐fixing land
Authors: Yang Rong , Chen Shiyang , Zhao Wenzhi , Song Shujun 
Published: June 2024

AbstractVegetation restoration in dryland regions may be a powerful way to control desertification and promote local habitat recovery. In these artificial revegetation systems, ecosystem processes and functioning are strongly determined by nitrogen (N) availability, while soil inorganic N (SIN) is the major available N form and is absorbed as a main N source for plants. However, SIN dynamics, their influencing factors, and their relative importance to the ecosystem of these N‐limited systems are not well understood. A field investigation was conducted to examine the monthly variations in SIN and its response to planting age and vegetation type in a typical artificial sand‐fixing system in northwestern China. The SIN content in topsoil (0–20 cm) during the growing season ranged from 7.10 to 95.65 mg kg−1, with a mean value of 27.14 mg kg−1. Soil nitrate N had a dominant role in determining SIN monthly dynamics, which showed a fluctuating trend with two peak values in early July and late August. SIN showed a significant increasing trend with the planting age of sand‐fixing vegetation, and it was highest for Nitraria sphaerocarpa (55.66 ± 5.76 mg kg−1), followed by Haloxylon ammodendron (29.81 ± 3.47 mg kg−1) and interspace (11.39 ± 1.13 mg kg−1). SIN displayed a hump‐shaped relationship with air temperature (R2 = 0.96, p < 0.01) and had a maximum at 19.88°C. The change rate of SIN was positively correlated with accumulated precipitation (R2 = 0.99, p < 0.05). SIN was correlated significantly with soil organic carbon (SOC), total nitrogen (TN), and soil clay content. Our results revealed that climatic (air temperature and precipitation), abiotic (soil texture), plant (planting age and vegetation type), and nutrient‐related (SOC and TN) factors regulate SIN dynamics in artificial sand‐fixing vegetation systems. Climate was the predominant factor affecting soil ammonium N, and soil nutrients (SOC and TN) were the predominant factor affecting soil nitrate N. Therefore, these factors should be integrated into optimizing regional vegetation establishment and improving ecosystem management practices in sand‐fixing lands.
High‐Efficiency Dimethyl Adipate Hydrogenation for 1,6‐Hexanediol Synthesis Over the Cu/SiO2 Nanoparticles with Reasonably Modulations of Pore Structure and Dispersion via Surface‐Assisted Method
Authors: Gao Xianlong , Cao Peng , Li Lei , Li Junhui , Zhu Zhirong 
Published: June 2024

AbstractSurfactant‐assisted co‐precipitation for catalyst preparation is an excellent potential preparation method for enhanced metal‐support interactions and abundant oxygen vacancy. Cu/SiO2 catalysts were prepared containing either glycolic acid ethoxylate lauryl ether (BRIJ35, B5), polyethylene oxide‐polypropylene oxide‐polyethylene oxide (P123 P3), or no surfactant. After further treatment with surfactants, the 1,6‐hexanediol selectivity was significantly increased, especially for P123 surfactant. The Cu/SiO2‐P3 catalyst showed good performance, which may be related to more surface basic amount, the larger dispersion of the Cu and abundant oxygen vacancy. Abundant Ovac may facilitate the hydrogenation of DMA by weakening the C=O bond. After the Cu/SiO2 catalyst was treated with surfactant, the micropores disappeared and SBET of the catalyst increased. Among them, Cu/SiO2‐P3 had the largest specific surface area (312.6 m2 g−1).
Experiment Meets Theory: Cope Rearrangements and Thermal E/Z Isomerisations of Terpenoid Hydrocarbons
Authors: Taizoumbe Kizerbo A. , Chhalodia Anuj K. , Goldfuss Bernd , Dickschat Jeroen S. 
Published: June 2024

AbstractSeveral terpenes are known that can undergo a Cope rearrangement. Prominent examples include germacrene A and hedycaryol that show a Cope rearrangement already slightly above room temperature. In the present study the Cope rearrangements of several terpenes and eventually co‐occurring thermal E/Z isomerisations were investigated experimentally for their minimum required temperatures and for their states of equilibrium. The experimental findings were supported by computational assessments of free activation energies (ΔG≠) as well as relative Gibbs free energies of the reactants (ΔG).
A study of different machine learning algorithms for state of charge estimation in lithium‐ion battery pack
Authors: Maurya Mangesh , Gawade Shashank , Zope Neha 
Published: June 2024

AbstractForecasting the state of charge (SOC) using battery control systems is laborious because of their longevity and reliability. Since battery degradation is typically nonlinear, predicting SOC estimation with significantly less degradation is laborious. So, the estimation of SOC is an increasingly major problem in ensuring the effectiveness and safety of the battery. To overcome these issues in SOC estimation, we found many methods in the scientific literature, with differing degrees of precision and intricacy. The SOC of lithium‐ion batteries can now be precisely predicted using supervised learning approaches. Reliable assessment of the SOC of a battery ensures safe operation, extends battery lifespan, and optimizes system performance. This work compares and studies the performance, benefits, and drawbacks of five supervised learning techniques for SOC estimates. Different SOC estimate methods are discussed, including both conventional and contemporary methods. These consist of techniques using voltage and current measurements and more complex algorithms using electrochemical models, impedance spectroscopy, and machine learning methods, incorporating the use of artificial intelligence and machine learning for flexible SOC estimation. In the future, SOC estimates will be a crucial component of a larger ecosystem for energy management, allowing for the seamless integration of energy storage into smart grids and adopting more environmentally friendly energy habits. The five methods we compare are random forest RF, gradient boosting machines, extra tree regressor, XG Boost, and DT. In these five methods, we are going to investigate, review, and discuss the current algorithms and overcome them to select one of the most precise and accurate algorithms to predict the accurate estimation of lithium‐ion battery SOC.
Nickel sulfide and potato‐peel‐derived carbon spheres composite for high‐performance asymmetric supercapacitor electrodes
Authors: Sheoran Mahima , Sharma Rohit , Dawar Anit , Ojha Sunil , Srivastav Anurag , Sharma R K , Sinha Om Prakash 
Published: June 2024

AbstractIn the present work, a novel composite of nickel sulfide (NiS) and potato peel‐derived carbon spheres (NiS/PPCS) with higher specific capacitance and cyclic performance was synthesized as electrode material for supercapacitor applications. The composite was deposited on a graphite rod to be use as an electrode. The electrochemical performance studies using CV, GCD, and EIS revealed that the prepared electrode showed an improved current response and higher specific capacitance than the pristine NiS electrode. The maximum specific capacitance for the NiS/PPCS electrode was found to be 2185 F/g at 0.2 A/g current density. More precisely, it was observed that the NiS/PPCS composite exhibited an excellent retention capacity of 95.04% after 20 000 continuous charge‐discharge cycles, showing its exceptional cyclic performance. The impedance studies revealed that the reaction between the NiS/PPCS electrode and electrolyte was rapid and highly reversible. Based on the findings of the electrochemical performances, NiS/PPCS electrode appears to be a potential candidate for highly efficient and economical asymmetric supercapacitors.
Adjuvant treatment with anti‐PD‐1 in acral melanoma: A nationwide study
Authors: Bloem Manja , van Not Olivier J. , Aarts Maureen J. B. , van den Berkmortel Franchette W. P. J. , Blank Christian U. , Blokx Willeke A. M. , Boers‐Sonderen Marye J. , Bonenkamp Johannes J. , de Groot Jan‐Willem B. , Haanen John B. , Hospers Geke A. P. , Kapiteijn Ellen W. , de Meza Melissa M. , Piersma Djura , van Rijn Rozemarijn S. , Stevense‐den Boer Marion A. M. , van der Veldt Astrid A. M. , Vreugdenhil Gerard , van den Eertwegh Alfons J. M. , Suijkerbuijk Karijn P. M. , Wouters Michel W. J. M. 
Published: June 2024

AbstractPrevious studies demonstrated limited efficacy of immune checkpoint inhibitors in unresectable acral melanoma (AM); it remains unclear how this translates to the adjuvant setting. This study investigates clinical outcomes of acral compared to cutaneous melanoma (CM) patients treated with adjuvant anti‐PD‐1 after complete resection. All stages III–IV AM and CM patients receiving adjuvant anti‐PD‐1 after complete resection between 2018 and 2022 were included from the prospective nationwide Dutch Melanoma Treatment Registry. We analyzed recurrence‐free survival (RFS), distant metastasis‐free survival (DMFS), and overall survival (OS). A multivariable Cox regression analysis of RFS was performed to adjust for potential confounders. We included 1958 (86 AM and 1872 CM) patients. At baseline, AM patients more frequently had KIT mutations, higher disease stages, and Eastern Cooperative Oncology Group Performance Status, and fewer BRAF and NRAS mutations. Median RFS was 14.8 months (95% confidence interval [CI]: 11.5–29.3) in AM and 37.4 months (95% CI: 34.6 to not reached) in CM (p = .002). After correcting for potential confounders, AM remained associated with a higher risk of recurrence (HRadj 1.53; 95% CI: 1.07–2.17; p = .019). Two‐year DMFS tended to be worse for AM than for CM: 64.5% versus 79.7% (p = .050). Two‐year OS was significantly lower in AM (71.5% vs. 84.3%; p = .027). The results of this study suggest a poorer outcome of adjuvant‐treated AM compared to CM. Studies assessing the added value of adjuvant treatment in AM are needed. Future research should investigate alternative treatment strategies to improve outcomes of high‐risk AM.
Qualitative and quantitative imaging of alpha‐emitting radiopharmaceuticals
Authors: Wang Lan , Lou Jingjing , Cao Xuecen , Jia Lina , Xue Shuai , Liu Xingdang , Zhang Lan , Li Xiao 
Published: June 2024

AbstractTargeted alpha (α) therapy (TAT) is an emerging therapeutic strategy for cancer treatment. To evaluate the safety and efficacy of targeted α‐therapy, the biodistribution and internal radiation dose of α‐emitting radionuclides should be determined. In vivo imaging of these radionuclides often involves the detection of gamma rays, X‐rays, and positrons generated during their complex decay processes. This review aims to classify the α‐emitting radionuclides (astatine‐211, actinium‐225, radium‐223, bismuth‐212, bismuth‐213, thorium‐227, and terbium‐149) according to their imageable signals. Additionally, this study summarizes various imaging modalities, including gamma camera imaging, single‐photon emission computed tomography, positron emission tomography, Compton imaging, bremsstrahlung imaging, and Cerenkov luminescence imaging, which hold potential for imaging α‐emitting radionuclides, to explore their biomedical applications in qualitative nuclide tracing and diagnosis, quantifying pharmacokinetics, and assessing prognosis and response to therapy.