bluuebunny/crossref_metadata_2025_split huggingface dataset:
Short‐term electricity load forecasting based on improved sparrow search algorithm with optimized BiLSTM
Authors: Yang Ming , Zhang Yiming , Ai Yuan 
Published: July 2023

AbstractShort‐term electricity load forecasts (STELF) is an essential part of power system and operation, capable of balancing electricity demand and is vital to the safety and efficient operation of the power system. The research improves the Long short‐term memory (LSTM), combines it with Bidirectional recurrent neural network (BIRNN), and obtains the improved Bidirectional Long Short‐Term Memory Network (BiLSTM) forecasting model. The Sparse Search Algorithm (SSA) can provide a new solution to more difficult global optimization problems and has been improved due to the shortcomings of the search and detection mechanisms. and a simplex mechanism is introduced to obtain an improved Search Mechanism Sparse Search Algorithm (SMSSA) optimized pathfinding algorithm. And constructs the SMSSA‐based optimized BiLSTM for STELF model. By choosing actual data, the model's prediction behavior is confirmed. The results showed that, in descending order, BiLSTM, LSTM, and Recurrent Neural Network (RNN) had the best fitting effects between the predicted and actual values. BiLSTM also had the highest prediction accuracy, with error values of 95.7059 for Root Mean Square Error (RMSE), 79.1575 for Mean Absolute Error (MAE), and 2.1260% for Mean Absolute Percent Error (MAPE). After SMSSA optimized the parameters, SMSSA‐BiLSTM had the best fit and had errors that were much lower than those of the other two models. According to the three error judgment metrics of RMSE, MAE, and MAPE, the errors were 82.6298, 71.9029, and 2.0952%, respectively. This showed that SMSSA‐BiLSTM performed well in short‐term power load forecasting, offering security for the power system's safe operation.
Curbing Exosome Communications via Introducing Artificial Membrane Receptors for Metastatic Pancreatic Cancer Therapy
Authors: Deng Miao , Guo Rong , Wang Yang , Li Jia‐Xin , He Jiao , Li Man , He Qin 
Published: July 2023

AbstractTumor‐derived exosomes (TDEs) carry various biomolecular cargos and play crucial roles in metastasis. TDEs migrate to distal organs for intercellular communication and induce the formation of pre‐metastatic niches (PMNs) to support tumor implantation and proliferation. Precise interference in the bioprocess of TDEs is expected to be efficacious for suppressing tumor metastasis. However, targeting both TDEs and the primary tumor is challenging. Here, based on metabolic glycoengineering and bio‐orthogonal click chemistry, a two‐step delivery strategy is designed to overcome this. During the first step, the tetraacetylated N‐azidoacetyl‐d‐mannosamine‐loaded nanoparticle responds to the metabolic activity of tumor cells in the primary tumor, tagging both tumor cells and TDEs with azide groups; dibenzyl‐cyclootyne‐modified nanoparticles then can, as the second step, specifically react with tumor cells and TDEs through a bio‐orthogonal click reaction. This strategy not only inhibits tumor growth in pancreatic cancer models but also curbs the communicative role of TDEs in inducing liver PMNs and metastasis by tracking and downregulating the exosomal macrophage migration inhibitory factor.
Intrinsic Ferromagnetic Semiconductors with High Saturation Magnetization from Hybrid Perovskites
Authors: Sun Bing , Yan Ze , Cao Yang , Ding Shuaishuai , Li Rongjin , Ma Bo , Li Xiang‐Yang , Yang Huan , Yin Wei , Zhang Yamin , Wang Qiang , Shao Xiangfeng , Yang Dezheng , Xue Desheng , Zhang Hao‐Li 
Published: July 2023

AbstractFerromagnetic semiconductors (FMS) enable simultaneous control of both charge and spin transport of charge carriers, and they have emerged as a class of highly desirable but rare materials for applications in spin field‐effect transistors and quantum computing. Organic–inorganic hybrid perovskites with high compositional adjustability and structural versatility can offer unique benefits in the design of FMS but has not been fully explored. Here, a series of molecular FMSs based on the 2D organic–inorganic hybrid perovskite structure, namely (2ampy)CuCl4, (3ampy)CuCl4, and (4ampy)CuCl4, is demonstrated, which exhibits high saturation magnetization, dramatic temperature‐dependent conductivity change, and tunable ferromagnetic resonance. Magnetic measurements reveal a high saturation magnetization up to 18.56 emu g−1 for (4ampy)CuCl4, which is one of the highest value among reported hybrid FMSs to date. Conductivity studies of the three FMSs demonstrate that the smaller adjacent octahedron distance in the 2D layer results in higher conductivity. Systematic ferromagnetic resonance investigation shows that the gyromagnetic ratio and Landau factor values are strongly dependent on the types of organic cations used. This work demonstrates that 2D hybrid perovskite materials can simultaneously possess both tunable long‐range ferromagnetic ordering and semiconductivity, providing a straightforward strategy for designing and synthesizing high‐performance intrinsic FMSs.
Intelligent Biomaterialomics: Molecular Design, Manufacturing, and Biomedical Applications
Authors: Yi Yu , An Hong‐Wei , Wang Hao 
Published: July 2023

AbstractMaterialomics integrates experiment, theory, and computation in a high‐throughput manner, and has changed the paradigm for the research and development of new functional materials. Recently, with the rapid development of high‐throughput characterization and machine‐learning technologies, the establishment of biomaterialomics that tackles complex physiological behaviors has become accessible. Breakthroughs in the clinical translation of nanoparticle‐based therapeutics and vaccines have been observed. Herein, recent advances in biomaterials, including polymers, lipid‐like materials, and peptides/proteins, discovered through high‐throughput screening or machine learning‐assisted methods, are summarized. The molecular design of structure‐diversified libraries; high‐throughput characterization, screening, and preparation; and, their applications in drug delivery and clinical translation are discussed in detail. Furthermore, the prospects and main challenges in future biomaterialomics and high‐throughput screening development are highlighted.
Permeability of Single‐Layer‐Free‐Standing Meshes at Varying Capillary Pressure via a Novel Method
Authors: Shattique Muhammad R. , Giglio Roman , Dede Ercan M. , Narumanchi Sreekant , Asheghi Mehdi , Goodson Kenneth E. , Palko James W. 
Published: July 2023

AbstractThe permeability of mesh wicks is important for various applications, including two‐phase heat transfer. However, the understanding of the permeability of single‐layer, free‐standing mesh wicks, with liquid–gas interfaces on both sides, is limited. A novel and simpler method is presented to determine the permeability of a free‐standing wick and apply it to a representative mesh. This method involves modifying the capillary pressure via elevation and simultaneously measuring the permeability to determine the permeability‐capillary pressure relationship. When applied to a copper mesh with plain weave having undergone surface cleaning, the permeability is found to decrease as capillary pressure for deionized water increases. A dimensional analysis is presented to generalize this data for other mesh sizes with similar weaves and fluids. The behavior of mesh in application is modeled, based on the integration of Darcy's law with an analytic function fit to measured data, and parametric studies are conducted to investigate the superficial velocity of liquids through the mesh under varying driving pressures, transport lengths, and liquid viscosity, based on the obtained capillary pressure–permeability relationship. This study provides valuable insights into the transport properties of mesh wicks, with potential applications in fields such as electronics cooling, electrochemical devices, and fluid purification technologies.
Targeting Squalene Epoxidase Confers Metabolic Vulnerability and Overcomes Chemoresistance in HNSCC
Authors: Zhao Xinyuan , Guo Bing , Sun Wenjuan , Yu Jinhua , Cui Li 
Published: July 2023

AbstractCisplatin resistance poses a substantial hurdle in effectively treating head and neck squamous cell carcinoma (HNSCC). Utilizing multiple tumor models and examining an internal HNSCC cohort, squalene epoxidase (SQLE) is pinpointed as a key driver of chemoresistance and tumorigenesis, operating through a cholesterol‐dependent pathway. Comprehensive transcriptomic analysis reveals that SQLE is essential for maintaining c‐Myc transcriptional activity by stabilizing the c‐Myc protein and averting its ubiquitin‐mediated degradation. Mechanistic investigation demonstrates that SQLE inhibition diminishes Akt's binding affinity to lipid rafts via a cholesterol‐dependent process, subsequently deactivating lipid raft‐localized Akt, reducing GSK‐3β phosphorylation at S9, and increasing c‐Myc phosphorylation at T58, ultimately leading to c‐Myc destabilization. Importantly, employing an Sqle conditional knockout mouse model, SQLE's critical role in HNSCC initiation and progression is established. The preclinical findings demonstrate the potent synergistic effects of combining terbinafine and cisplatin in arresting tumor growth. These discoveries not only provide novel insights into the underlying mechanisms of SQLE‐mediated cisplatin resistance and tumorigenesis in HNSCC but also propose a promising therapeutic avenue for HNSCC patients unresponsive to conventional cisplatin‐based chemotherapy.
Factors associated with injury among Maine logging workers
Authors: Scott Erika , Luschen Kevin , Hansen‐Ruiz Cristina , Krupa Nicole , Hirabayashi Liane , Graham Judy , Jensen Nora , Jenkins Paul 
Published: July 2023

AbstractIntroductionDespite dramatic improvements in safety, logging remains one of the most dangerous industries in the United States. The purpose of this study was to explore longitudinal injury trends among Maine logging workers.MethodsLoggers participated in seven quarterly surveys, over the course of 18 months. Categorical and free text data related to traumatic and acute injury, musculoskeletal disorders (MSD), and chronic pain were exported from REDCap into SAS 9.4, Excel, and NVivo, for quantitative and qualitative analysis, respectively. Time to injury was modeled using two different approaches: (1) time to the occurrence of first injury modeled by proportional hazard regression and (2) an intensity model for injury frequency. Two research team members also analyzed qualitative data using a content analysis approach.ResultsDuring the study, 204 injuries were reported. Of the 154 participants, 93 (60.4%) reported musculoskeletal pain on at least one survey. The majority of injuries were traumatic, including fractures, sprains, and strains. Lack of health insurance was found to be related to increased risk of first injury [HR = 1.41, 95% CI = 0.97–2.04, p = 0.069]. Variables found to be related to injury intensity at the univariate level were: (1) a lack of health insurance [HR = 1.51, 95% CI = 1.04–2.20, p = 0.030], (2) age [HR for 10‐year age increase;= 1.12, 95% CI = 0.99–1.27, p = 0.082], and (3) years employed in logging industry [HR for 10‐year increase = 1.12, 95% CI = 0.99–1.26, p = 0.052]. Seeking medical attention for injury was not a priority for this cohort, and narratives revealed a trend for self‐assessment. A variety of barriers, including finances, prevented loggers from seeking medical attention.DiscussionWe found that loggers still experience serious, and sometimes disabling, injuries associated with their work. It was unsurprising that many injuries were due to slips, trips, and falls, along with contact with logging equipment and trees/logs. The narratives revealed various obstacles preventing loggers from achieving optimal health. Examples included geographic distance from healthcare, lack of time to access care, and entrenched values that prioritized independence and traditional masculinity. Financial considerations were also consistently cited as a primary barrier to adequate care.ConclusionThere is a continued need to emphasize occupational health and safety in the logging industry. Implementation of relevant safety programs is key, but it is likely that the benefits of these will not be fully realized until a cultural shift takes place within this industry.
Alkylation of an N2‐Derived PN3P Mo(V) Nitride Complex
Authors: Han Delong , Chakraborty Priyanka , Yang Li , Huang Hao , Huang Kuo‐Wei 
Published: July 2023

AbstractThe alkylation of a nitride ligand of a post‐modified Mo(V) complex was achieved with MeOTf (1 a) and EtOTf (2 a), respectively. However, different from the known Mo(VI) nitride complexes where the alkyl group can be deprotonated by strong bases to form a ketimide for the next progressive reactions leading to nitrile, 1 a and 2 a can only be reduced to highly stable Mo(IV) imido complexes by NaH. Upon treatment with fresh PhCH2OTf, a new dinuclear Mo complex was isolated with N2 release, instead of benzylation of the nitride ligand.
Selective Synthesis using ETFBO: A New Strategy for the Preparation of Hexahydro‐1H‐pyrrolo[1,2‐c]imidazol‐1‐one.
Authors: Faillace Martín S. , Ceballos Noelia M. , Shustova Natalia B. , Peláez Walter J. 
Published: July 2023

AbstractIn this work, we report the regiospecific and stereoselective synthesis of novel pyrrolo thioxoimidazolidinones with promising biological activities due to the inherent pharmaceutical properties of thioxoimidazolidinone core. The reaction of different thioxoimidazolidinones with trans‐4‐ethoxy‐1,1,1‐trifluorobut‐3‐en‐2‐one (ETFBO) yields bicyclic 1,3‐diaza heterocycles bearing the trifluoromethyl (CF3) moiety. Our investigation involved both depth experimental analysis and theoretical calculations to fathom out the mode of reaction of this building block and elucidate the underlying mechanism operating for the observed reactions. Remarkably, this unusual mechanism retained the ethanol moiety from the building block in the final products, deviating from conventional nucleophilic reactions reported in the literature.
N‐Heterocyclic Carbene‐Catalyzed [3+3] Annulation of Alkynyl Acyl Azolium with β‐Keto Ester for the Synthesis of Tri‐Substituted α‐Pyranones
Authors: Jiang Chengming , Dong Ziyang , Wang Jiaming , Zhao Changgui 
Published: July 2023

AbstractThe reactivity of N‐Heterocyclic carbene (NHC)‐bound alkynyl acyl azoliums is underexplored in chemistry. We herein reported an NHC‐catalyzed [3+3] annulation of alkynyl acyl azoliums with β‐keto esters. The strategy features mild reaction conditions and exhibits broad substrates scope, delivering a wide range of tri‐substituted α‐pyrones in moderate to excellent yields (up to 95%). This approach extends the reactivity of alkynyl acyl azoliums to β‐keto esters binucleophiles.
An Interfacial View of Cation Effects on Electrocatalysis Systems
Authors: Khani Hadi , Puente Santiago Alain R. , He Tianwei 
Published: July 2023

AbstractThe identity of alkali metal cations in the electrolyte of electrocatalysis systems has been recently introduced as a crucial factor to tailor the kinetics and Faradaic efficiency of many electrocatalytic reactions. In this Minireview, we have summarized the recent advances in the molecular‐level understanding of cation effects on relevant electrocatalytic processes such as hydrogen evolution (HER), oxygen evolution (OER), and CO2 electroreduction (CO2RR) reactions. The discussion covers the effects of electrolyte cations on interfacial electric fields, structural organization of interfacial water molecules, blocking the catalytic active sites, stabilization or destabilization of intermediates, and interfacial pHs. These cation‐induced interfacial phenomena have been reported to impact the performance (activity, selectivity, and stability) of electrochemical reactions collaboratively or independently. We describe that although there is almost a general agreement on the relationship between the size of alkali cations and the activities of HER, OER, and CO2RR, however, the mechanism by which the performance of these electrocatalytic reactions is influenced by alkali metal cations is still in debate.
Modular Alcohol Click Chemistry Enables Facile Synthesis of Recyclable Polymers with Tunable Structure
Authors: Xia Yanni , Sun Yue , Liu Ziheng , Zhang Chengjian , Zhang Xinghong 
Published: July 2023

AbstractThe facile synthesis of chemically recyclable polymers derived from sustainable feedstocks presents enormous challenges. Here, we develop a novel, modular, and efficient click reaction for connecting primary, secondary, or tertiary alcohols with activated alkenes via a bridge molecule of carbonyl sulfide (COS). The click reaction is successfully applied to synthesize a series of recyclable polymers by the step polyaddition of diols, diacrylates, and COS. Diols and diacrylates are common chemicals and can be produced from biorenewable sources, and COS is released as the industrial waste. In addition to sustainable monomers, the approach is atom‐economical, wide in scope, metal‐free, and performed under mild conditions, affording unprecedented polymers with nearly quantitative yields. The produced polymers also possess predesigned and widely tunable structure owing to the versatility of our method and the broad variety of monomers. The in‐chain thiocarbonate and ester polar groups can play as breakpoints, allowing these polymers to be easily recycled. Overall, the polymers have broad prospects for green materials given their facile synthesis, readily available feedstocks, desirable performance, and chemical recyclability.
Regulating Degradation Pathways of Polymers by Radical‐Triggered Luminescence
Authors: Hou Yue , Feng Jing , Tian Rui , Lu Chao , Duan Xue 
Published: July 2023

AbstractUnderstanding the radical behaviours during polymer degradation is beneficial to unveil and regulate the degradation pathways of polymers to achieve a sustainable polymer development. However, it is a long‐standing challenge to study radical behaviours owing to the ultra‐short lifetime of the transient radicals generated during the polymer degradation. In this contribution, we have proposed the radical‐triggered luminescence to monitor the radical behaviours during polymer degradation without/with the addition of inorganic additives. It was disclosed that the pure polymers showed a single sigmoidal dynamic curve from peroxy radicals (ROO⋅) emissions, leading to the exponential proliferation for the degradation evolution. Alternatively, the degradation pathways with the addition of additives, layered double hydroxides (LDHs) with positively charged Al centers, could be modulated into a double sigmoidal dynamics, involving the main product of alkoxy radicals (RO⋅) with the activation energy of 40.2 kJ/mol and a small amount of ROO⋅ with 76.3 kJ/mol, respectively. Accordingly, the polymers with the additive‐regulated pathways could exhibit prominently anti‐degradation behaviours. This work is beneficial for the deep understanding of the radical mechanisms during polymer degradation, and for the rational design of anti‐degradation polymers.
When the Ferrocene Analogy Breaks Down: Metallocene Transmetallation Chemistry
Authors: Raviprolu Varun Tej , Farias Phillip , Carta Veronica , Harman Hill , Lavallo Vincent 
Published: July 2023

AbstractFerrocene 1 and its dianionic Fe(bis)(dicarbollide) analogue 2 are classical compounds that display unusual stability. These compounds are not known to undergo transmetallation chemistry of the Fe‐center and have been used extensively as chemical building blocks with consistent integrity. In this manuscript we describe the preparation of a charge compensated Fe(bis)(dicarbollide) species 3 Fe and its unprecedented transmetallation chemistry to Ir. Such reactions are hitherto unknown for any transition metal metallocene or metallacarborane complex. Additionally, we show that 3 Fe can be deprotonated to afford the corresponding bis(NHC) Li‐carbenoid 5 that also displays unique reactivity. When 5 is reacted with [Ir(COD)Cl]2 it also undergoes a rapid transmetallation of the ferrocene “like” core to afford 6 but with the added twist that the Li‐carbenoid moiety stays intact and does not transmetalate. However, when 6 is subsequently treated with CuCl, the Li‐carbenoid transmetalates to Cu, which allows the controlled formation of the corresponding heterobimetallic Ir/Cu aggregate. Lastly, when Li‐carbenoid 5 is treated directly with CuCl, a double transmetallation occurs from both Fe to Cu and Li‐carbenoid to Cu, resulting in the trimetallic Cu cluster 8. These novel reactions pave the way for new synthetic methods to build complicated polymetallic clusters in a controlled fashion.
Atmospheric plasma treatment to improve the surface properties of P3HB coating. A study of the influence of substrate roughness
Authors: Martinez H. , Vázquez‐Vélez E. , Galván‐Hernández A. , Radilla‐Bello J. , Xosocotla O. , Meza A. E. 
Published: July 2023

AbstractPolyhydroxybutyrate (P3HB) is a biocompatible polymer. However, its hydrophobic surface can disrupt cell adhesion, which is essential in implanted biomaterials. Atmospheric plasma treatment is an environmentally friendly method that improves surface properties. This study analyzed P3HB coatings obtained on stainless steel by various mechanical interlocking and their plasma process. The surface free energy and the degree of crystallinity of coatings increased with the plasma treatment. Atomic force microscopy analysis showed that roughness improved, and adhesion energy increased by a factor of three after plasma treatment by inserting polar groups analyzed with Raman spectroscopy. Based on this, a mechanism of chemical functionalization by plasma on the surface is proposed. The results depend on the initial properties given by the mechanical interlocking at the metal‐polymer interface.