bluuebunny/crossref_metadata_2025_split huggingface dataset:
Monitoring covariance in multivariate time series: Comparing machine learning and statistical approaches
Authors: Weix Derek , Cath Tzahi Y. , Hering Amanda S. 
Published: April 2024

AbstractIn complex systems with multiple variables monitored at high‐frequency, variables are not only temporally autocorrelated, but they may also be nonlinearly related or exhibit nonstationarity as the inputs or operation changes. One approach to handling such variables is to detrend them prior to monitoring and then apply control charts that assume independence and stationarity to the residuals. Monitoring controlled systems is even more challenging because the control strategy seeks to maintain variables at prespecified mean levels, and to compensate, correlations among variables may change, making monitoring the covariance essential. In this paper, a vector autoregressive model (VAR) is compared with a multivariate random forest (MRF) and a neural network (NN) for detrending multivariate time series prior to monitoring the covariance of the residuals using a multivariate exponentially weighted moving average (MEWMA) control chart. Machine learning models have an advantage when the data's structure is unknown or may change. We design a novel simulation study with nonlinear, nonstationary, and autocorrelated data to compare the different detrending models and subsequent covariance monitoring. The machine learning models have superior performance for nonlinear and strongly autocorrelated data and similar performance for linear data. An illustration with data from a reverse osmosis process is given.
Procedures from samples to sulfur isotopic data: A review
Authors: Zhao Changqiu , Guo Qingjun , Zhang Tonggang , Han Xiaokun , Usman Dawuda 
Published: April 2024

AbstractRationaleSulfur isotopes have been widely used to solve some key scientific questions, especially in the last two decades with advanced instruments and analytical schemes. Different sulfur speciation and multiple isotopes analyzed in laboratories worldwide and in situ microanalysis have also been reported in many articles. However, methods of sampling to measurements are multifarious, and occasionally some inaccuracies are present in published papers. Vague methods may mislead newcomers to the field, puzzle readers, or lead to incorrect data‐based correlations.MethodsWe have reviewed multiple methods on sulfur isotopic analyses from the perspectives of sampling, laboratory work, and instrumental analysis in order to help reduce operational inhomogeneity and ensure the fidelity of sulfur isotopic data. We do not deem our proposed solutions as the ultimate standard methods but as a lead‐in to the overall introduction and summary of the current methods used.ResultsIt has been shown that external contamination and transformation of different sulfur species should be avoided during the sampling, pretreatment, storage, and chemical treatment processes. Conversion rates and sulfur isotopic fractionations during sulfur extraction, purification, and conversion processes must be verified by researchers using standard or known samples. The unification of absence of isotopic fractionation is needed during all steps, and long‐term monitoring of standard samples is recommended.ConclusionThis review compiles more details on different methods in sampling, laboratory operation, and measurement of sulfur isotopes, which is beneficial for researchers' better practice in laboratories. Microanalyses and molecular studies are the frontier techniques that compare the bulk sample with the elemental analysis/continuous flow–gas source stable isotope ratio mass spectrometry method, but the latter is widely used. The development of sulfur isotopic measurements will lead to the innovation in scientific issues with sulfur proxies.
Analytical method development, identification, and characterization of stress degradation products of idelalisib by ultrahigh‐performance liquid chromatography with photodiode array and ultrahigh‐performance liquid chromatography with electrospray ionization quadrupole time‐of‐flight mass spectrometry studies
Authors: Mahesh Marella , Bali Alka , Gupta Tanvi 
Published: April 2024

RationaleAs per International Council for Harmonization (ICH) drug stability test guideline Q1A(R2), inherent stability characteristics of a drug should be studied. This work was designed to investigate inherent degradation characteristics of the drug idelalisib under ICH prescribed stress conditions, identify its degradation products, and postulate their corresponding degradation pathways.MethodsIdelalisib was subjected to the ICH prescribed conditions of hydrolytic (neutral, acidic, and alkaline), photolytic, oxidative, and thermal stress according to ICH guideline Q1A(R2). An ultrahigh‐performance liquid chromatography with photodiode array (UHPLC‐PDA) method was developed to adequately resolve the drug from its degradation products, validated as per the ICH guidelines, and subsequently extended to UHPLC with electrospray ionization quadrupole time‐of‐flight mass spectrometry (ESI‐QTOFMS) studies to identify the degradation products.ResultsSignificant degradation was noted under conditions of acidic/alkaline hydrolysis, acid photolysis, and oxidative stress. The UHPLC/ESI‐QTOFMS studies revealed the generation of four degradation products (I–IV), which were satisfactorily resolved from the drug by UHPLC on a Kinetex® C18 (100 × 4.6 mm; 2.6 μm) column by the developed isocratic elution method. Detection wavelength was selected as 270 nm. All the degradation products (I–IV) could be identified and characterized from their mass spectral data. The degradation pathways for the generation of various products from the drug were postulated.ConclusionsA UHPLC‐PDA method was developed and validated for idelalisib. Four degradation products of idelalisib were revealed through UHPLC/ESI‐QTOFMS studies, and corresponding degradation pathways were postulated for the same.
Competitive segregation to grain boundaries between Cr and Co in FeNiCrCo alloy
Authors: Zhang Weiwei , Huang Li , Liang Jing , Li Yanchao , Bai Wei , Jiao Benqi , Kan Dongxiao , Li Jianfeng , Zhang Wen 
Published: April 2024

Alloying elements segregating to grain boundaries (GBs) is vital in determining structural stability and mechanical properties of alloys, especially in high‐entropy alloys (HEAs) that consist of multiple elements. However, some details remain unclear, such as the process of varied atoms (Cr and Co) cosegregation to GBs in FeNiCrCo alloy. Therefore, the competition and cooperation between Fe, Ni, Cr, and Co atoms segregating to GBs of FeNiCrCo alloy were investigated via molecular dynamic (MD) simulation. Five [110] symmetric tilt GBs of FeNiCrCo were applied to study the relation between the tendency of atomic segregation especially Cr and Co and GB characters including GB energy and GB excess free volume (GB excess volume). A competitive segregation phenomenon between Cr and Co atoms was discovered, which could be dominated by GB excess volume and different atomic radii among components.
Nanochannel Stability of Chemically Converted Graphene Oxide Membranes
Authors: Zhou Siyu , Guan Kecheng , Li Zhan , Xu Ping , Fang Shang , Zhang Aiwen , Wang Zheng , He Shengnan , Nakagawa Keizo , Matsuyama Hideto 
Published: April 2024

AbstractChemically converted graphene oxide laminate membranes, which exhibit stable interlayered nanochannels in aqueous environments, are receiving increasing attention owing to their potential for selective water and ion permeation. However, how the molecular properties of conversion agents influence the stabilization of nanochannels and how effectively nanochannels are stabilized have rarely been studied. In this study, mono‐, di‐, and tri‐saccharide molecules of glucose (Glu), maltose (Glu2), and maltotriose (Glu3) are utilized, respectively, to chemically modify graphene oxide (GO). The aim is to create nanochannels with different levels of stability and investigate how these functional conversion agents affect the separation performance. The effects of the property differences between different conversion agents on nanochannel stabilization are demonstrated. An agent with efficient chemical reduction of GO and limited intercalation in the resulting nanochannel ensures satisfactory nanochannel stability during desalination. The stabilized membrane nanochannel exhibits a permeance of 0.69 L m−2 h−1 bar−1 and excellent Na2SO4 rejection of 96.42%. Furthermore, this optimized membrane nanochannel demonstrates enhanced stability under varying external conditions compared to the original GO. This study provides useful information for the design of chemical conversion agents for GO nanochannel stabilization and the development of nanochannel membranes for precise separation.
Separation of Mono‐/Divalent Ions via Controlled Dynamic Adsorption/Desorption at Polythiophene Coated Carbon Surface with Flow‐Electrode Capacitive Deionization
Authors: Xiong Jingjing , Ye Wenkai , Mu Liwen , Lu Xiaohua , Zhu Jiahua 
Published: April 2024

AbstractCapacitive deionization for selective separation of ions is rarely reported since it relies on the electrostatic attraction of oppositely charged ions with no capability to distinguish ions of different valent states. Using molecular dynamic simulation, a screening process identified a hybrid material known as AC/PTh, which consists of activated carbon with a thin layer of polythiophene (PTh) coating. By utilizing AC/PTh as electrode material implementing the short‐circuit cycle (SCC) mode in flow‐electrode capacitive deionization (FCDI), selective separation of mono‐/divalent ions can be realized via precise control of dynamic adsorption and desorption of mono‐/divalent ions at a particular surface. Specifically, AC/PTh shows strong interaction with divalent ions but weak interaction with monovalent ions, the distribution of divalent ions can be enriched in the electric double layer after a couple of adsorption–desorption cycles. At Cu2+/Na+ molar ratio of 1:40, selectivity toward divalent ions can reach up to 110.3 in FCDI SCC mode at 1.0 V. This work presents a promising strategy for separating ions of different valence states in a continuously operated FCDI device.
CuO (111) Microcrystalline Evoked Indium–Organic Framework for Efficient Electroreduction of CO2 to Formate
Authors: Huang Honghao , Yue Kaihang , Liu Chaofan , Zhan Ke , Dong Hongliang , Yan Ya 
Published: April 2024

AbstractElectrochemical reduction of carbon dioxide (CO2RR) to formate is economically beneficial but suffers from poor selectivity and high overpotential. Herein, enriched microcrystalline copper oxide is introduced on the surface of indium‐based metal–organic frameworks. Benefiting from the CuO (111) microcrystalline shell and formed catalytic active In–Cu interfaces, the obtained MIL‐68(In)/CuO heterostructure display excellent CO2RR to formate with a Faradaic efficiency (FE) as high as 89.7% at low potential of only −0.7 V vs. RHE in a flow cell. Significantly, the membrane electrode assembly (MEA) cell based on MIL‐68(In)/CuO exhibit a remarkable current density of 640.3 mA cm−2 at 3.1 V and can be stably operated for 180 h at 2.7 V with a current density of 200 mA cm−2. The ex/in situ electrochemical investigations reveal that the introduction of CuO increases the formation rate of the carbon dioxide reduction intermediate *HCOO− and inhibits the competitive hydrogen evolution reaction. This work not only provides an in‐depth study of the mechanism of the CO2RR pathways on In/Cu composite catalyst but also offers an effective strategy for the interface design of electrocatalytic carbon dioxide reduction reaction.
Nucleation‐Inhibited Emulsion Interfacial Assembled Polydopamine Microvesicles as Artificial Antigen‐Presenting Cells
Authors: Dong Lingkai , Liu Minchao , Fang Meng , Lu Qianqian , Li Xingjin , Ma Yanming , Zhao Tiancong 
Published: April 2024

AbstractAlbeit microemulsion systems have emerged as efficient platforms for fabricating tunable nano/microstructures, lack of understanding on the emulsion‐interfacial assembly hindered the control of fabrication. Herein, a nucleation‐inhibited microemulsion interfacial assembly method is proposed, which deviates from conventional interfacial nucleation approaches, for the synthesis of polydopamine microvesicles (PDA MVs). These PDA MVs exhibit an approximate diameter of 1 µm, showcasing a pliable structure reminiscent of cellular morphology. Through modifications of antibodies on the surface of PDA MVs, their capacity as artificial antigen presentation cells is evaluated. In comparison to solid nanoparticles, PDA MVs with cell‐like structures show enhanced T‐cell activation, resulting in a 1.5‐fold increase in CD25 expression after 1 day and a threefold surge in PD‐1 positivity after 7 days. In summary, the research elucidates the influence of nucleation and interfacial assembly in microemulsion polymerization systems, providing a direct synthesis method for MVs and substantiating their effectiveness as artificial antigen‐presenting cells.
Efficient Lead Removal by Assembly of Bio‐Derived Ellagate Framework, Which Enables Electrocatalytic Reduction of CO2 to Formate
Authors: Chen Song , Chung Lai‐Hon , Chen Shaoru , Jiang Zhixin , Li Ning , Hu Jieying , Liao Wei‐Ming , He Jun 
Published: April 2024

AbstractLead (Pb) poisoning and CO2‐induced global warming represent two exemplary environmental and energy issues threatening humanity. Various biomass‐derived materials are reported to take up Pb and convert CO2 electrochemically into low‐valent carbon species, but these works address the problems separately rather than settle the issues simultaneously. In this work, cheap, natural ellagic acid (EA) extracted from common plants is adopted to assemble a stable metal–organic framework (MOF), EA‐Pb, by effective capture of Pb2+ ions in an aqueous medium (removal rate close to 99%). EA‐Pb represents the first structurally well‐defined Pb‐based MOF showing selective electrocatalytic CO2‐to‐HCOO− conversion with Faradaic efficiency (FE) of 95.37% at −1.08 V versus RHE. The catalytic mechanism is studied by 13CO2 labeling, in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and theoretical calculation. The use of EA‐Pb as an electrocatalyst for CO2 reduction represents a 2‐in‐1 solution of converting detrimental wastes (Pb2+) as well as natural resources (EA) into wealth (electrocatalytic EA‐Pb) for addressing the global warming issue.
Anisotropic Te/PdSe2 Van Der Waals Heterojunction for Self‐Powered Broadband and Polarization‐Sensitive Photodetection
Authors: Wang Pu , Li Zhao , Xia Xue , Zhang Jingni , Lan Yingying , Zhu Lu , Ke Qingqing , Mu Haoran , Lin Shenghuang 
Published: April 2024

AbstractPolarization‐sensitive broadband optoelectronic detection is crucial for future sensing, imaging, and communication technologies. Narrow bandgap 2D materials, such as Te and PdSe2, show promise for these applications, yet their polarization performance is limited by inherent structural anisotropies. In this work, a self‐powered, broadband photodetector utilizing a Te/PdSe2 van der Waals (vdWs) heterojunction, with orientations meticulously tailored is introduced through polarized Raman optical spectra and tensor calculations to enhance linear polarization sensitivity. The device exhibits anisotropy ratios of 1.48 at 405 nm, 3.56 at 1550 nm, and 1.62 at 4 µm, surpassing previously‐reported photodetectors based on pristine Te and PdSe2. Additionally, it exhibits high responsivity (617 mA W−1 at 1550 nm), specific detectivity (5.27 × 1010 Jones), fast response (≈4.5 µs), and an extended spectral range beyond 4 µm. The findings highlight the significance of orientation‐engineered heterostructures in enhancing polarization‐sensitive photodetectors and advancing optoelectronic technology.
Use of Interfacial Interactions and Complexation of Carbon Dots to Construct Ultra‐Robust and Efficient Photothermal Film From Micro‐Carbonized Polysaccharides
Authors: Ding Yingying , Liu Shouxin , Yang Long , Du Guanben , Wan Jianyong , Chen Zhijun , Li Shujun 
Published: April 2024

AbstractSolar energy conversion technologies, particularly solar‐driven photothermal conversion, are both clean and manageable. Although much progress has been made in designing solar‐driven photothermal materials, significant challenges remain, not least the photobleaching of organic dyes. To tackle these issues, micro‐carbonized polysaccharide chains, with carbon dots (CDs) suspended from the chains, are conceived, just like grapes or tomatoes hanging from a vine. Carbonization of sodium carboxymethyl cellulose (CMC) produces just such a structure (termed CMC‐g‐CDs), which is used to produce an ultra‐stable, robust, and efficient solar‐thermal film by interfacial interactions within the CMC‐g‐CDs. The introduction of the CDs into the matrix of the photothermal material effectively avoided the problem of photobleaching. Manipulating the interfacial interactions (such as electrostatic interactions, van der Waals interactions, π–π stacking, and hydrogen bonding) between the CDs and the polymer chains markedly enhances the mechanical properties of the photothermal film. The CMC‐g‐CDs are complexed with Fe3+ to eliminate leakage of the photothermal reagent from the matrix and to solve the problem of poor water resistance. The resulting film (CMC‐g‐CDs‐Fe) has excellent prospects for practical application as a photothermal film.
Highly Durable Silicone‐Based Elastomers Achieved Through the Synergy of Bi‐Incompatible Soft Segments and Multi‐Scale Hydrogen Bonds
Authors: Zheng Wei , Zhang Chengshu , Han Yangjiao , Wang Wenpin , Li Zhibo 
Published: April 2024

AbstractDeveloping a silicone elastomer with high strength, exceptional toughness, good crack tolerance, healability, and recyclability, poses significant challenges due to the inherent trade‐offs between these properties. Herein, the design of silicone‐based elastomers with a nanoscopic microphase separation structure and comprehensive mechanical properties is achieved by combining bi‐incompatible soft segments and multi‐scale hydrogen bonds. The formation of multi‐scale hydrogen bonds involving urethane, urea, and 2‐ureido‐4[1H]‐pyrimidinone (UPy) facilitates efficient reversible crosslinking of the synthesized polymer containing thermodynamically incompatible poly(dimethylsiloxane) (PDMS) and poly(propylene glycol) (PPG). The dynamic dissociation and recombination of hydrogen bonds, coupled with the forced compatibility and spontaneous separation of bi‐incompatible soft segments, can effectively dissipate energy, particularly in the crack region during the stretching process. The obtained silicone‐based elastomer exhibits a high break strength of 8.0 MPa, good elongation at break of 1910%, ultrahigh toughness of 67.8 MJ m−3, and unprecedented fracture energy of 31.8 kJ m−2 while maintaining their thermal stability, hydrophobicity, healability, and recyclability. This resilient and long‐lasting silicone‐based elastomer exhibits significant potential for use in flexible electronic devices.
Research on the toxicological prognostic significance of age‐related genes in endometrial cancer unveiling key factors in patient prognosis
Authors: Yin Yongchao , Niu Qian , Wei Zhiqiang , Wang Yefei , Li Gang , Zhang Weican , Guo Kai , Yao Xinyu 
Published: April 2024

AbstractThis study investigates the influence of aging‐related genes on endometrial cancer, a prominent gynecological malignancy with rising incidence and mortality. By analyzing gene expression differences between cancerous and normal endometrial tissues, 42 aging‐related genes were identified as differentially expressed. Utilizing the TCGA‐UCEC sample, consensus clustering divided the samples into two molecular subgroups, Aging low and Aging high, based on their expression profiles. These subgroups showed distinct prognoses and survival rates, with the Aging high group associated with DNA repair and cell cycle pathways, and the Aging low group showing suppressed metabolic pathways and increased immune cell infiltration, suggesting a potential for better immunotherapy outcomes. Mutation analysis did not find significant differences in mutation frequencies between the groups, but a high Tumor Mutation Burden (TMB) correlated with better prognosis. A risk score model was also developed, showcasing significant prognostic power. Further analysis of the SIX1 gene revealed its overexpression in cancer cells. Drug sensitivity tests indicated that the low‐risk group might respond better to chemotherapy. This research underscores the significance of aging‐related genes in endometrial cancer, offering insights into their prognostic value and therapeutic potential, which could lead to personalized treatment approaches and enhanced patient management.
RETRACTED: Zinc finger Protein207 orchestrates glioma migration through regulation of epithelial‐mesenchymal transition
Authors: Zhao Chao , Guo Yuduo , Chen Yujia , Shang Guanjie , Song Dixiang , Wang Jun , Yang Jingjing , Zhang Hongwei 
Published: April 2024

AbstractBackgroundGlioma represents the predominant primary malignant brain tumor. For several years, molecular profiling has been instrumental in the management and therapeutic stratification of glioma, providing a deeper understanding of its biological complexity. Accumulating evidence unveils the putative involvement of zinc finger proteins (ZNFs) in cancer. This study aimed to elucidate the role and significance of ZNF207 in glioma.MethodsUtilizing online data such as The Cancer Genome Atlas (TCGA), the Chinese Glioma Genome Atlas (CGGA), the Genotype‐Tissue Expression (GTEx) project, the Clinical Proteomic Tumor Analysis Consortium (CPTAC), and the Human Protein Atlas (HPA) databases, in conjunction with bioinformatics methodologies including GO, KEGG, GSEA, CIBERSORT immune cell infiltration estimation, and protein–protein interaction (PPI) analysis, enabled a comprehensive exploration of ZNF207's involvement in gliomagenesis. Immunohistochemistry and RT‐PCR techniques were employed to validate the expression level of ZNF207 in glioma samples. Subsequently, the biological effects of ZNF207 on glioma cells were explored through in vitro assays.ResultsOur results demonstrate elevated expression of ZNF207 in gliomas, correlating with unfavorable patient outcomes. Stratification analyses were used to delineate the prognostic efficacy of ZNF207 in glioma with different clinicopathological characteristics. Immunocorrelation analysis revealed a significant association between ZNF207 expression and the infiltration levels of T helper cells, macrophages, and natural killer (NK) cells. Utilizing ZNF207 expression and clinical features, we constructed an OS prediction model and displayed well discrimination with a C‐index of 0.861. Moreover, the strategic silencing of ZNF207 attenuated glioma cell advancement, evidenced by diminished cellular proliferation, weakened cell tumorigenesis, augmented apoptotic activity, and curtailed migratory capacity alongside the inhibition of the epithelial‐mesenchymal transition (EMT) pathway.ConclusionsZNF207 may identify as a prospective biomarker and therapeutic candidate for glioma prevention, providing valuable insights into understanding glioma pathogenesis and treatment strategies.