bluuebunny/crossref_metadata_2025 huggingface dataset:
LINE‐1 hypomethylation characterizes the inflammatory response in coeliac disease associated‐intestinal mucosa and small bowel adenocarcinomas
Authors: Libera Laura , Vanoli Alessandro , Sahnane Nora , Adnan Muhammad , Guerini Camilla , Arpa Giovanni , Bianchi Paola Ilaria , Lenti Marco Vincenzo , Corazza Gino Roberto , La Rosa Stefano , Di Sabatino Antonio , Furlan Daniela
Published: November 2024

Long interspersed nuclear elements 1 (LINE‐1) are the most abundant and the only autonomous mobile elements in the human genome. When their epigenetic repression is removed, it can lead to disease, such as autoimmune diseases and cancer. Coeliac disease (CeD) is an immune‐mediated disease triggered by an abnormal T‐cell response to dietary gluten and a predisposing condition of small bowel adenocarcinoma (SBA), frequently characterized by epigenetic alterations. The aim of this work was to assess LINE‐1 methylation by bisulphite pyrosequencing and NanoString® gene transcription analysis in 38 CeD‐SBAs compared with 25 SBAs associated with Crohn's disease (CrD‐SBAs) and 25 sporadic SBAs (S‐SBA). Both analyses were also performed in duodenal mucosae from 12 untreated CeD patients (UCD) and 19 treated CeD patients (TCD), and in 11 samples of normal intestinal mucosa to better investigate the role of LINE‐1 deregulation in CeD and in CeD‐SBA. A significant loss of LINE‐1 methylation was observed in CeD‐SBAs and in mucosae from UCD patients (with very similar methylation levels) compared with controls. By contrast, a restoration of normal LINE‐1 methylation levels was found in TCD mucosae after a strict gluten‐free diet. LINE‐1 hypomethylation does not lead to expression of ORF1 and ORF2, with the only exception being for one CeD‐SBA. The expression analysis of enzymes modulating DNA methylation and inflammatory genes confirmed that CeD‐SBA shared a very similar expression profile of UCD mucosae showing a strong upregulation of genes involved in inflammation, immune response, and T‐cell activity compared with TCD mucosae. For the first time, this work demonstrates that loss of DNA methylation is an intrinsic epigenetic feature of CeD, accompanying the immune response as a reversible mechanism in patients following a strict gluten‐free diet, and suggests the possible role of LINE‐1 hypomethylation in promoting cell adaptability during the gliadin‐related inflammatory process. © 2024 The Author(s). The Journal of Pathology published by John Wiley & Sons Ltd on behalf of The Pathological Society of Great Britain and Ireland.
Pediatric postural orthostatic tachycardia syndrome: From mechanisms to individualized management
Authors: Xu Wenrui , Jin Hongfang , Liao Ying , Du Junbao
Published: November 2024

Postural orthostatic tachycardia syndrome (POTS) represents chronic orthostatic intolerance. Patients usually suffer from presyncopal symptoms, such as lightheadedness, headache, blurred vision, and fatigue. Central hypovolemia, peripheral vascular dysfunction, and a hyperadrenergic state may contribute to the pathogenesis of POTS. It is necessary to comprehensively assess the clinical characteristics, physiological changes, and biochemical markers to select an appropriate therapy. Since the introduction of the concept of individualized treatment for POTS, great progress has been made in the field.
Enhancing friction with additively manufactured surface‐textured polymer composites
Authors: Islam Sabrina , Beschorner Kurt , Bagheri Z. Shaghayegh
Published: November 2024

Increasing rubber's friction on slippery surfaces provides protection against falls; however, surface‐textured composites, despite their potential, remain susceptible to wear. To address this issue, part of our team previously patented a surface‐textured composite made from thermoplastic polymers and microfibers. This study investigates the impact of manufacturing processes and 2D filler, which are known for their hydrophobicity and large surface area. It enhances our patented composite by integrating 2D graphene nanoplatelets (GNP), hexagonal boron nitride (hBN), and fillers like styrene‐butadiene‐styrene (SEBS), and silica, while comparing the properties of composites fabricated via injection molding (IM) and fused filament fabrication (FFF). The results demonstrate that 2D fillers enhance both abrasion resistance and ice friction, while FFF‐fabricated composites consistently exhibit superior properties across all compositions. Notably, hBN‐reinforced samples exhibited hierarchical surface texturing, leading to enhanced abrasion resistance (FFF: 146.63% ± 3.39%; IM: 133.83% ± 6.8%; p = 0.036), and effective ice traction (FFF: 0.58 ± 0.04; IM: 0.54 ± 0.06; p = 0.043). These outperformed ice‐traction properties of all other FFF‐fabricated composites, including a previously patented composite (0.52 ± 0.05) as well as composites with GNP (0.53 ± 0.02), SEBS (0.42 ± 0.05), and hBN + SEBS (0.45 ± 0.02). Additionally, the patented composite produced via FFF exhibited moderate oil traction (0.121 ± 0.001), outperforming others. This study highlights the potential of FFF and 2D fillers to enhance traction and durability in composites.

Highlights

Surface‐textured composite introduced via additive manufacturing.

Abrasion resistance and friction analysis on icy and oily conditions.

Reveals the potential for new composite to improve traction and longevity.

Highlights the importance of controlled fiber distribution and orientation.
Challenges in renally eliminated medication use: Evaluating cystatin C and serum creatinine eGFR discordance
Authors: Hernandez Brandy N. , Wieruszewski Patrick M. , Barreto Jason N. , Cole Kristin C. , Damani Shivam , Kane‐Gill Sandra L. , Kashani Kianoush B. , Kelly Ellen , Rule Andrew D. , Teaford Hilary R. , Zand Jaleh , Barreto Erin F.
Published: November 2024

Background

Accurately estimating glomerular filtration rate (GFR) is crucial for dosing medications in hospitalized patients. Due to limitations of serum creatinine for GFR estimation, serum cystatin C (CysC) has been explored as an alternative functional kidney biomarker. This study assessed discordance between eGFRCr and eGFRCysC in a large sample of hospitalized patients and examined the frequency of renally eliminated medications affected by eGFR discordance.

Methods

This multisite historical study included adults hospitalized between 2011 and 2023 with CysC and serum creatinine reported within 24 h of each other. The first concurrent biomarker pair for each patient was analyzed. eGFR discordance and use of renally eliminated medications were described.

Results

17,718 hospitalized patients with concurrent creatinine and CysC assessments were included. The median eGFRCr was 65 mL/min, and the eGFRCysC was 46 mL/min. The median absolute difference of eGFRCr−eGFRCysC was 15 mL/min, and 7972 patients (45%) had a > 30% absolute difference. There was a significantly greater percentage of patients with an eGFR <30 mL/min based on eGFRCysC (26%) compared to eGFRCr (15%) (p < 0.001). Patients were prescribed an average of 20 medications in the 24 h surrounding the concurrent biomarker assessment. Renally eliminated medications accounted for 39% ± 13% of medication orders, and 80% of patients with eGFR discordance were prescribed five or more renally eliminated medications.

Conclusion

Substantial eGFR discordance between eGFRCysC and eGFRCr was observed in hospitalized patients, which directly affects the dosing of renally eliminated medications. Further research is needed to optimize the pharmacotherapy of renally eliminated medications with discordant GFR assessments to improve medication safety and effectiveness.
Recent Advances in Labeling‐Based Quantitative Glycomics: From High‐Throughput Quantification to Structural Elucidation
Authors: Wang Zicong , Zhang Jingwei , Li Lingjun
Published: November 2024

Glycosylation, a crucial posttranslational modification (PTM), plays important roles in numerous biological processes and is linked to various diseases. Despite its significance, the structural complexity and diversity of glycans present significant challenges for mass spectrometry (MS)‐based quantitative analysis. This review aims to provide an in‐depth overview of recent advancements in labeling strategies for N‐glycomics and O‐glycomics, with a specific focus on enhancing the sensitivity, specificity, and throughput of MS analyses. We categorize these advancements into three major areas: (1) the development of isotopic/isobaric labeling techniques that significantly improve multiplexing capacity and throughput for glycan quantification; (2) novel methods that aid in the structural elucidation of complex glycans, particularly sialylated and fucosylated glycans; and (3) labeling techniques that enhance detection ionization efficiency, separation, and sensitivity for matrix‐assisted laser desorption/ionization (MALDI)‐MS and capillary electrophoresis (CE)‐based glycan analysis. In addition, we highlight emerging trends in single‐cell glycomics and bioinformatics tools that have the potential to revolutionize glycan quantification. These developments not only expand our understanding of glycan structures and functions but also open new avenues for biomarker discovery and therapeutic applications. Through detailed discussions of methodological advancements, this review underscores the critical role of derivatization methods in advancing glycan identification and quantification.
(Prote)omics for Superior Management of Kidney and Cardiovascular Disease—A Thought‐Provoking Impulse From Nephrology
Authors: Beige Joachim , Masanneck Michael
Published: November 2024

Chronic kidney disease (CKD) and cardiovascular disease (CVD) are complex conditions often managed by nephrologists. This viewpoint paper advocates for a multi‐omics approach, integrating clinical symptom patterns, non‐invasive biomarkers, imaging and invasive diagnostics to enhance diagnosis and treatment. Early detection of molecular changes, particularly in collagen turnover, is crucial for preventing disease progression. For instance, urinary proteomics can detect early molecular changes in diabetic kidney disease (DKD), heart failure (HF) and coronary artery disease (CAD), enabling proactive interventions and reducing the need for invasive procedures like renal biopsies. For example, urinary proteomic patterns can differentiate between glomerular and extraglomerular pathologies, aiding in the diagnosis of specific kidney diseases. Additionally, urinary peptides can predict CKD progression and HF development, offering a non‐invasive alternative to traditional biomarkers like eGFR and NT‐proBNP. The integration of multi‐omics data with artificial intelligence (AI) holds promise for personalised treatment strategies, optimizing patient outcomes. This approach can also reduce healthcare costs by minimizing unnecessary invasive procedures and hospitalizations. In conclusion, the adoption of multi‐omics and non‐invasive biomarkers in nephrology and cardiology can revolutionize disease management, enabling early detection, personalised treatment and improved patient outcomes.
Tensile and Crystallization Behavior of Melt‐Spun Fibers Derived From Poly(Butylene Terephthalate‐Co‐2,6‐Naphthalate) Copolyester
Authors: Mao Hsu‐I , Wu Wen‐Tzu , Chou Jui‐Yang , Chen Chin‐Wen
Published: November 2024

In this study, a series of poly(butylene terephthalate‐co‐2,6‐naphthalate) (PBTN) copolymers was synthesized via a one‐step polycondensation process. These PBTN copolymers demonstrate excellent thermal stability and semi‐crystalline behavior, with the enthalpy of melting values exceeding 17 J g−1. Crystallization kinetics analysis revealed that the copolymers exhibit significantly higher crystallization rates than neat poly(butylene terephthalate) (PBT) and poly(butylene naphthalate) (PBN), making them well‐suited for fiber production. The copolymers were melt‐spun, followed by a post‐drawing process at a ratio of 2.0, to enhance fiber strength. By adjusting the 2,6‐naphthalene dicarboxylate (NDC) content, the mechanical properties and crystallinity of the PBTN fibers were fine‐tuned. Tensile testing revealed that the copolymer fiber containing 50 mol% NDC, post‐drawn at a ratio of 2.0, exhibits superior toughness, with maximum tenacity and elongation values of 3.13 g den−1 and 69.3%, respectively.
[18F]‐NOTA‐FAPI‐04 PET/CT downgraded the staging of a breast cancer patient and changed their treatment management
Authors: Qin Jingjie , Zhao Jingjing , Yu Jinming , Wei Yuchun
Published: November 2024

A 47‐year‐old woman underwent [18F]‐FDG and [18F]‐NOTA‐FAPI‐04 PET/CT to assess the staging of suspected axillary lymph node enlargement following breast‐conserving surgery. The imaging with these two PET agents revealed starkly contrasting results. Significant [18F]‐FDG uptake in the right axillary fossa, intrathoracic muscles, and clavicle lymph nodes led nuclear medicine physicians to suspect metastasis. However, no uptake of [18F]‐NOTA‐FAPI‐04 was observed. Subsequently, the patient underwent an ultrasound‐guided biopsy of the enlarged axillary lymph nodes, which pathologically confirmed the diagnosis as inflammation. After a multidisciplinary discussion, the patient received radiotherapy for the right breast and 2.15Gy/F×28F for the tumor bed. She was discharged following the completion of her radiotherapy. Accurate diagnosis and staging are pivotal in selecting the optimal clinical treatment for breast cancer patients. Notably, [18F]‐NOTA‐FAPI‐04 PET/CT downgraded this patient's staging, significantly influencing the treatment strategy.
3D gamma analysis between treatment plans for nominally beam‐matched medical linear accelerators using PyMedPhys
Authors: Guan Fada , Donahue William , Biggs Simon , Jennings Matthew , Draeger Emily , Chen Huixiao , Wang Yuenan , Nguyen Ngoc , Carlson David J. , Chen Zhe , Han Dae Yup
Published: November 2024

Beam‐matched linear accelerators (linacs) enable flexible patient scheduling and efficient treatment delivery in the event of unexpected machine downtime. The purpose of this study was to test the feasibility of 3D gamma index as an additional metric beyond standard measurement‐based comparisons for more efficient evaluation of treatment plans between linacs with nominally matched beam models to ensure safe patient transfer. Seventeen 3D conformal radiotherapy (3DCRT) plans and thirty‐six volumetric‐modulated radiation therapy (VMAT) plans for different disease sites were selected from the original linac. An in‐house script was used to automatically create new plans for the target linac and calculate dose using parameters of the original plans. 3D gamma analysis was performed to compare plan dose distributions between the target and original linacs using PyMedPhys. The 2%/2 mm gamma pass (γ≤1) rate was >99.99% for all 3DCRT plans. The median 1%/1 mm pass rate was 99.86% but two cases failed (< 90%). For VMAT plans, the median and minimum 2%/2 mm gamma pass rates were 99.43% and 93.81%. For 1%/1 mm, the median pass rate was 92.02% but ten cases failed. The results indicated using 3D gamma index can enhance the confidence and add an extra layer for safe patient transfer.
IL7 as a Risk Factor for Prostate Cancer: Implications for T Cell Apoptosis and Infiltration in the Tumor Microenvironment
Authors: He Enyang , Li Yaowen , Zhao Rui , Kong Qinyan , Shao Yi , Wang Cong , Liu Baoqun , Jiang Yvhang , Liu Qian , Cui Hualei
Published: November 2024

Background

Prostate cancer's complex interplay with the immune microenvironment prompted an investigation into immune‐related pathogenic mechanisms and potential therapeutic targets.

Methods

Within the GSE176031 data set, Seurat meticulously dissected single‐cell profiles from radical prostatectomy patients. Leveraging CellMarker and SingleR cell identities were precisely annotated. Then, monocle traced pseudotime trajectories, illuminating cellular paths, complemented by CellChat's insights into intricate intercellular communications. Furthermore, mendelian randomization (MR) robustly substantiated causal associations within prostate cancer contexts.

Results

Employing single‐cell analysis on intraoperative tumor and normal tissue, we identified 15 distinct cell types, notably observing a significant T cell reduction in tumor samples. Intercellular communication analysis revealed multiple pathways between epithelial cells and T cells, highlighting interleukin (IL)‐IL7R–IL2RG interactions. IL7R, crucial in T cell apoptosis, showed differential expression across T cell development stages. Patients with IL7 amplification had poorer outcomes (p < 0.05), supported by MR in two cohorts (ieu‐b‐4809 cohort: odds ratio [OR] = 1.005, p = 0.002, 95% confidence interval [CI] [1.002–1.008]; ebi‐a‐GCST90018905: OR = 1.063, p = 0.032, 95% CI [1.005–1.125]), confirming IL7 as a prostate cancer risk factor.

Conclusions

These findings suggest T cell depletion via IL7–IL7R signaling may drive prostate cancer progression, offering novel therapeutic insights.
Illuminating the Arctic: Unveiling seabird responses to artificial light during polar darkness through citizen science and remote sensing
Authors: Balazy Kaja , Jakubas Dariusz , Kotarba Andrzej , Wojczulanis‐Jakubas Katarzyna
Published: November 2024

Artificial light at night (ALAN) has global impacts on animals, often negative, yet its effects in polar regions remains largely underexplored. These regions experience prolonged darkness during the polar night, while human activity and artificial lighting are rapidly increasing. In this study, we analyzed a decade of citizen science data on light‐sensitive seabird occurrences in Longyearbyen, a High‐Arctic port settlement, to examine the impact of environmental factors including ALAN during polar night. Our investigation incorporated remote sensing data on nighttime lights levels, sea ice presence, and air temperature measurements from local meteorological station. Our findings reveal that artificial light may potentially impact seabird diversity in this region, with overall diversity decreasing alongside light intensity. However, the relationship between artificial light and seabird diversity was not uniformly negative; individual species exhibited varied responses. We also detected a correlation between artificial light and air temperature, emphasizing the complexity of environmental interactions. Notably, the piscivorous Black Guillemot (Cepphus grylle), the dominant species in Longyearbyen during the polar night, showed increased contribution in the local seabird assemblage with higher light levels. In contrast, the zooplanktivorous Little Auk (Alle alle) exhibited reduced contribution with higher light intensity and increased presence with higher air temperatures. We hypothesize that these differing responses are closely tied to the distinct dietary habits, varying sensitivity to artificial light due to individual adaptations, and overall ecological flexibility of these species, underscoring the need for further research. This study, which uniquely combines citizen science with remote sensing data, represents the first effort to systematically assess the effects of artificial lighting on seabirds during the polar night. The findings underscore the potential importance of this issue for seabird conservation in polar regions.
Surfactant‐Free, Simple Hydrothermal Synthesis of Morphologically Porous, Three‐Dimensional SnS2 Nanomaterial as Long term Stable Electrode for Supercapacitor Application
Authors: James Jithu P , Jose Lolly Maria , Rani S Deepa , Kumar S Santhosh , Isaac R S Rimal , Sajan D. , Aravind Arun
Published: November 2024

Tin disulfide (SnS2) is a prominent candidate in the class of transition metal dichalcogenides (TMD), whose multiple electrical and electrochemical applications have recently steered much attention to energy storage devices like batteries and supercapacitors. Previous studies on the material came under the efforts to improve its applications by doping, creating composites, and other heterogeneous structures, which are complicated and less economical. Thus, pristine SnS2, utilizing its morphological features in conjunction with a suitable synthesis method, was investigated to improve efficiency and reduce cost without confusing processes or structural iterations. In this work, SnS2 is synthesized in its bare form using the hydrothermal method to investigate its potential supercapacitor application. The synthesis route followed a cost‐efficient and simple protocol, and the material shows a porous morphology favoring electrode–electrolyte interaction desirable for supercapacitors. A comprehensive study on the structural, morphological, and surface features done by XRD, FESEM, EDX, XPS, and nitrogen adsorption–desorption analysis confirmed the formation of SnS2 and interior structure. Supercapacitor analysis by CV, GCD, EIS, and cyclic stability tests reveal an intermittent energy storage mechanism, with a capacitance of 109.6 F g−1 at 1 A g−1 and high cyclic retention of 106% at 5 A g−1 after 7000 cycles.
Modification of Vancomycin Structure to Combat against Emerging Vancomycin Resistance
Authors: Ozverel Cenk Serhan , Bagkur Cemile , Erdag Emine
Published: November 2024

The rise of multidrug‐resistant bacteria, such as Enterococcus faecium and Staphylococcus aureus, has compromised the efficacy of glycopeptide antibiotics like vancomycin. Consequently, novel strategies are urgently needed to combat vancomycin‐resistant strains. In this study, novel vancomycin derivatives with disulfide groups targeting the D‐alanyl‐D‐alanine for wild‐type, D‐alanyl‐D‐lactate, and D‐alanyl‐D‐serine regions for resistant strains were designed. Using ChemDraw Pro 12.0, the derivatives were created, and their binding affinities were assessed through molecular docking with AutoDock Vina. Molecular dynamics (MD) simulations were conducted with GROMACS 5.1.4, followed by MM/PBSA and quantum mechanical calculations. Pharmacokinetic properties were evaluated via ADMETlab 3.0. The derivatives showed enhanced binding energies across all target regions, irrespective of aromatic moieties or aliphatic groups. All three derivatives demonstrated higher logP values, improved gastrointestinal absorption, increased plasma protein binding percentages, better tissue distribution, and comparable half‐lives to vancomycin, along with favorable safety profiles. Among the vancomycin derivatives designed, derivative I emerged as a particularly promising candidate against vancomycin‐resistant strains, demonstrating superior binding energies and improved pharmacokinetic properties, thereby making it a strong candidate for further development.
Electrocyclization for the Synthesis of Mono‐ and Disulfonyl‐substituted Pyrazoles From Sulfonyl Hydrazines and 1,3‐Diketones
Authors: Wu Yuanyuan , Liu Qiping , Ning Zhitao , Du Zhengyin
Published: November 2024

The tunable electrocyclic reactions for the synthesis of a series of mono‐ and disulfonyl‐substituted pyrazoles from sulfonyl hydrazines and 1,3‐diketones were investigated by utilizing inexpensive electrolytes under electrochemical conditions in an undivided cell. When nBu4NBF4 was used as an electrolyte, it afforded monosulfonyl‐substituted pyrazoles. By contrast, when NH4I was used as an electrolyte, it gave disulfonyl‐substituted pyrazoles. The mechanistic investigation shows that they all underwent a free radical process but formed N‐centered sulfonyl hydrazine radical and S‐centered sulfonyl radical in the synthesis of mono‐ and disulfonyl‐substituted pyrazoles, respectively.
Cation‐Modified Co‐Based Borophosphates for Efficient and Robust Oxygen Evolution Reaction
Authors: Meng Yan , Pan Dong‐Sheng , Wang Ao , Song Jun‐Ling
Published: November 2024

The development of cost‐effective electrocatalysts for oxygen evolution reaction (OER) is critical and challenging in the field of electrocatalytic water splitting for industrial applications. Herein, a series of cations (Fe, Ni, and Zn)‐doped Co‐based borophosphates with an anion skeleton (Na2CoB3P2O11(OH)·nH2O are prepared by a simple hydrothermal method, in which the cation dopants could be easily achieved via a simple cation exchange during the hydrothermal reaction process. Especially, the Fe dopant increases active sites, improves charge‐mass transfer, and tunes the electronic structures of the Co‐based borophosphate electrode. The optimal Fe‐doped NaCBPO (NaC3FBPO), with the cobalt to iron molar ratio of 3, shows a low overpotential of 289 mV at the current density of 10 mA cm−2, and it can be stable for 16 h at this current density. Above all, it has a fast reaction rate with a low Tafel slope of 84.25 mV·dec−1. This work provides a promising transition metal‐based borophosphates materials with high efficiency and durability toward water splitting.
Phenoxaphosphonium Mixed Ylides in Reactions With Alkynes
Authors: Nenashev Anton , Zavaruev Mikhail , Levina Irina , Roznyatovsky Vitaly , Pisarev Sergey , Pavlova Anna , Potapov Ilia , Motyakin Mikhail , Shutkov Ilya , Timchenko Yury , Rodin Igor , Nazarov Alexey , Podrugina Tatyana
Published: November 2024

The reactivity of ylides possessing additional iodonium functionality is driven by the departure of the iodonium group, which generates highly reactive intermediates. The scope of these reactions depends on both the nature of the reacting partner and the functional groups present at the ylidic center. In this study, we investigate the reactivity of phosphonium–iodonium ylides, where the ylidic carbon atom is bonded to a cyclic phenoxaphosphonium moiety and various electron‐withdrawing substituents. The study examines these ylides in reactions with nitriles and alkynes, continuing our investigation of acyclic phosphonium–iodonium ylides with triple‐bond‐containing compounds. The incorporation of phosphorus into a cyclic structure reveals new bond‐making and bond‐breaking patterns in reactions with alkynes, leading to novel reaction pathway and the formation of enone‐functionalized phosphonates. Phenoxaphosphonium–iodonium ylides and furans have been shown to have antiproliferative activity in vitro against several human cancer cell lines.
Revisiting Metal Dihalide Complexes with Phosphine Ligands: Isostructurality, Steric Effects, Anagostic Interactions, Crystal Voids, and Energetic Calculations
Authors: Pérez Hiram , Gil Diego M. , Gomila Rosa M. , Frontera Antonio
Published: November 2024

The crystal structures of seven metal dihalide complexes with triphenylphosphine (PPh₃) and two with tribenzylphosphine (PBz₃) have been reanalyzed. The studied complexes include [FeCl₂(PPh₃)₂], [CoCl₂(PPh₃)₂], [CoBr₂(PPh₃)₂], [NiCl₂(PPh₃)₂], [NiBr₂(PPh₃)₂], [NiI₂(PPh₃)₂], [ZnCl₂(PPh₃)₂], [NiCl₂(PBz₃)₂], and [NiBr₂(PBz₃)₂]. A detailed geometric analysis revealed high isostructurality among several pairs. Ligand steric effects were assessed using cone angles and percentage surface coverage. Crystal packing is stabilized by weak C─H⋯π and C─H⋯X (X = Cl, Br, and I) interactions. Notably, [NiCl₂(PBz₃)₂] and [NiBr₂(PBz₃)₂] feature rare intramolecular C─H⋯Ni anagostic interactions. Reduced density gradient (RDG) and noncovalent interaction (NCI) plots confirmed weakly attractive C─H⋯π contacts in all complexes. Void‐volume analysis assessed the mechanical strength of the crystals, while pixel energy and energy frameworks clarified structural stability and dominant interactions. Density Functional Theory (DFT) calculations, along with QTAIM/NCIplot and NBO analyses, as well as electron density (ED) versus electrostatic potential (ESP) plots, were performed to better understand the C─H···Ni interactions and distinguish between agostic and anagostic interactions.
High Performance Perovskite Photodiodes via Molecule‐Assisted Interfacial and Bulk Modulations
Authors: Yan Yuting , Zhou Bin , Lin Xi , Shi Jian , Wang Shasha , Qu Duo , Tu Yongguang , Luo Xiaoguang , Huang Wei
Published: November 2024

Metal halide perovskites have attracted significant attention in photodetection due to their superior photophysical properties and improved stability. However, the performance of their photodiodes is predominantly limited by non‐radiative recombination within the perovskite layer or at interfaces. Here, molecular engineering via phenylethylammonium chloride for interfacial modulation and methylenediammonium dichloride for bulk modulation is introduced into vertical perovskite photodiodes to boost the photodetection performance. The responsivity at 635 nm excitation increased from 0.09 to 0.33 A W−1 with interfacial modulation, compared to the original perovskite device, and is further improved to 0.40 A W−1 with the combined effects of interfacial and bulk modulations (i.e., synergistic bimolecular engineering). The optimized photodiodes demonstrated high detectivity of over 1011 Jones, a rapid response time of ≈1 µs, and a linear dynamic range of ≈100 dB. Furthermore, the photocurrent exhibited a U‐shaped dependence on temperature ranging from 10 to 300 K, with linearity breaking under strong illumination at low temperatures. These results confirmed that molecular engineering is the promising strategy for achieving high‐performance perovskite photodetectors.
Synergistic Inclusion of Reaction Activator and Reaction Accelerator to Ni‐MOF Toward Extra‐Ordinary Performance of Urea Oxidation Reaction
Authors: Acharya Animesh , Mandal Koustav , Kumari Neetu , Chatterjee Kuntal
Published: November 2024

Recently electrochemical urea oxidation reaction (UOR) has emerged as the technology of demand for commercialization of urea‐based energy conversion. However, the nascent idea is limited by the energy burden of threshold voltage and the sluggish reaction kinetics involving a six‐electron transfer mechanism. Herein, for the first time, the engineering of electrocatalysts are proposed with simultaneous inclusion of UOR activator and UOR accelerator. Nitrogen‐doped carbon‐decorated Ni‐based Metal Organic Framework (MOF) has been synthesized as the base catalyst material. MoO2 and rGO with varied loading have been attached to the MOF to get the desired MoO2/Ni‐MOF/rGO heterostructure incorporating defects and crystal strain within the materials. Investigations reveal that the invoked lattice strain and atomic defects promote plenteous Ni3+ active sites. The optimized sample demonstrates extraordinary performance of UOR having the potential value as low as 1.32 V versus RHE to reach the current density of 10 mA cm−2 and the tafel slope is only 31 mV dec−1 reflecting very fast reaction kinetics. Here MoO2 plays the role of UOR activator whereas optimized loading of rGO proliferates the reaction speed. This work, experimentally and theoretically, presents a new insight to enhance electrocatalytic urea oxidation reaction opening an avenue of urea‐based energy‐harvesting technology.
Fine Tuning of Torus‐Shaped Mo‐Doped Ni2P Nanorings for Enhanced Seawater Electrolysis
Authors: Yadav Abhinav , Das Manash R. , Deka Sasanka
Published: November 2024

Seawater, as one of nature's most plentiful resources, provides a virtually inexhaustible source for generating hydrogen via water electrolysis. Developing an efficient bifunctional electrocatalyst for direct seawater splitting is challenging but highly desirable. Herein, a donut‐shaped Mo‐doped Ni2P nanoring electrocatalyst is developed, which is promising for direct overall seawater splitting. The optimized Mo0.1Ni1.9P catalyst shows low overpotentials and Tafel slopes in addition to high turnover frequencies, mass activities, and exchange current densities. The Mo0.1Ni1.9P||Mo0.1Ni1.9P couple‐based electrolyzer requires a cell voltage of only 1.45 V in 1.0 m KOH and 1.47 V in untreated alkaline real seawater electrolysis at 10 mA cm−2 current density. Industrially required current densities of 500 and 1000 mA cm−2 are achieved at record low voltages of 1.81 and 1.86 V, respectively, at 25 °C and 1.77 and 1.82 V, respectively, at 75 °C for overall alkaline seawater splitting. The catalyst exhibited long‐term stability at 400 mA cm−2 during alkaline seawater electrolysis. The synergy between Mo ions with multiple oxidation states and Ni ions, and nanoring morphology play a crucial role in increasing active sites for enhanced seawater dissociation. This work highlights the potential of Mo‐doped Ni2P nanorings as unique catalysts for seawater electrolysis.
Ni Vacancy and the Se/S Ratio Regulate the p‐Band Center of Hollow NiSxSe2‐x/Phase Junction CdS to Achieve High Efficiency and Broad‐Spectrum Photocatalytic Performance
Authors: Li Ning , Qiu Yanping , Li Linping , Zhang Jiatong , Gao Yangqin , Ge Lei
Published: November 2024

Rational design of defect engineering and interfacial built‐in electric fields of photocatalysts is imperative for renewable energy conversion. Herein, a multi‐strategy involving the introduction of Ni vacancies, the adjustment of the Se/S ratio, and the construction of dual junctions are employed to simultaneously realize NiSxSe2‐x/phase junction CdS (HCC) an excellent photocatalytic activity and broad light absorption. With the help of VNi and the regulation of S/Se, the local electrons are redistributed to occupy more antibonding orbitals and adjust the p‐band center, thus optimizing the H* adsorption energy of the catalyst to accelerate the photocatalytic reaction kinetics. Meanwhile, the synergistic effects of phase junction and heterojunction formations generate dual built‐in electric fields (BIEF), which further amplify the stepwise separation and migration of photogenerated carriers. Notably, VNi‐NiSSe/HCC achieves an optimal H2 evolution rate of 11.43 mmol·g−1·h−1 under visible light irradiation with the apparent quantum yield (AQY) at 15.3% at 420 nm, which is 53 times and 26.6 times higher than H‐CdS and HCC, respectively. Additionally, it also exhibits a hydrogen evolution rate of 147 µmol·g−1·h−1 under near‐infrared (NIR) light with λ ≥780 nm. This work provides new insight into designing robust photocatalysts by regulating the electronic states and energy states.
Flexible Polyacrylonitrile‐Supported MOF‐on‐COF Composite Membrane for Hydrogen Purification
Authors: Cai Jianan , Wong Kar Chun , Zhang Sui
Published: November 2024

Hydrogen (H2) is a clean and efficient energy source that has garnered global technological development to enhance its production. However, effective purification is necessary to remove impurities from hydrogen products. H2 purification membranes need to exhibit both high H2 permeance and sufficient H2 selectivity. Herein, this study presents an in situ growth method to prepare a composite metal‐organic framework (MOF)‐on‐ covalent organic framework (COF) membrane for hydrogen purification, consisting of a polyacrylonitrile (PAN) substrate, a sulfonated triphenylphosphine acid (TpPa‐SO3H) gutter layer, and a zeolitic imidazolate framework‐8 (ZIF‐8) selective layer. The TpPa‐SO3H layer is prepared on the PAN substrate via an in situ growth method and used to anchor the metal precursors of ZIF‐8 to form a continuous and dense ZIF‐8 layer on its surface. The resulting [TpPa‐SO3H]‐[ZIF‐8]/PAN membrane achieves a hydrogen permeance of 1429.4 GPU and an H2/N2 selectivity of 22.9. These results highlight the potential of composite membranes in advancing hydrogen separation technology and provide a promising approach for efficient hydrogen purification.
Lattice Regularization by Manipulating Over‐Stoichiometric Defects Yields High‐Performance (Bi,Sb)2Te3 Thermoelectrics
Authors: Li Ruyuan , Pan Qiaoyan , Zhang Qiang , Wang Min , Pang Kaikai , Miao Liya , Tan Xiaojian , Hu Haoyang , Wu Jiehua , Liu Guo‐Qiang , Jiang Jun
Published: November 2024

Bi2Te3‐based alloys have historically dominated the commercial sector of near‐ambient‐temperature thermoelectric technology. However, the massive intrinsic defects form the “donor‐like” effect and affect the transport properties of Bi2−xSbxTe3 significantly. Here, it is demonstrated that the over‐stoichiometric Sb fills Te vacancies and weakens the defect scattering, resulting in a desirable carrier mobility. The boost‐generated antisite defects also compensate for the extra hole carries. Combined with dilute Cu doping, the global microstructural modulation is synergistically promoted, characterized by Sb coherent nanoprecipitates and high‐density twins. Benefitting from the decoupled electrical‐thermal transport, the peak ZT is improved to ≈1.50 at 350 K, with an average ZT of 1.25 from 300 to 500 K. The further designed and integrated 17‐pair power generators exhibit ultrahigh conversion efficiency, reaching 6.7% under a 200 K temperature gradient, and show excellent operational stability. These achievements hold great potential for advancing Bi2Te3‐based power generators in low‐grade waste heat recovery.
High‐Performance Flexible and Symmetric Supercapacitors Based on Micro‐Flower‐Like MnSe@Ti3C2Tx Heterostructure
Authors: Li Siyan , Song Qian , Fang Chunlei , Lu Yong , Ding Xiaokang , Liu Ting , Zhang Jicai , Xu Fu‐Jian
Published: November 2024

Flexible supercapacitors, renowned for their exceptional power density and cycling stability, are a focus in the field of energy storage. Ti3C2Tx MXene is a promising electrode material for supercapacitors owing to its excellent metallic conductivity. However, its stacking layered structure limits device performance on specific capacitance, operating voltage, and energy density. Herein, a MnSe@Ti3C2Tx heterostructure is developed to enhance the electrochemical performance of Ti3C2Tx‐based electrode materials. With the solvothermal synthesis method, MnSe nanosheets are in situ grown on Ti3C2Tx surface to form micro‐flower‐like MnSe@Ti3C2Tx heterostructures by adjusting the ratio of ethanolamine solvent and the amount of Ti3C2Tx. The specific capacitance of the optimized heterostructure (E3/MnSe@Ti3C2Tx‐45) is as high as 721.4 F g−1 at 1 A g−1, approximately ten times higher than that of pure Ti3C2Tx. The MnSe@Ti3C2Tx flexible symmetric supercapacitor (MT‐FSC) based on E3/MnSe@Ti3C2Tx‐45 exhibits a wide working voltage window of 1.2 V and a large energy density of 28.68 Wh kg−1 at 308.23 W kg−1. The capacitance retention rate keeps 90.77% after 4000 charge–discharge cycles. Furthermore, MT‐FSC can power LEDs even under large‐angle (90°) bending. This heterostructure electrode material not only improves the electrochemical performance of Ti3C2Tx‐based flexible supercapacitors but also offers a robust energy supply for flexible wearable electronic devices.
Propene epoxidation with molecular oxygen: Advancements from nanoparticle to single‐atom catalysts
Authors: He Qiuming , Lin Dong , Yin Defu , Yang Chaohe , Chen De , Feng Xiang
Published: November 2024

Propylene oxide plays a pivotal role as an organic synthesis intermediate, boasting extensive downstream applications and promising market prospects. Propene epoxidation via molecular oxygen has garnered considerable attention due to its cost‐effectiveness, environmental friendliness, ease of operation, and straightforward product separation. This paper provides an in‐depth exploration of recent advancements, ranging from nanoparticle to Single‐atom catalysts (SACs), in the context of propene epoxidation using molecular oxygen. Conventional nanoparticle catalysts, including those based on Ag, Cu, and other metals, are examined with regard to their contributions to support effects, electron effects, or crystal‐plane effects within the mechanistic investigation. Furthermore, emerging SACs (specifically Mo, Cu, and Co) are discussed in terms of synthesis strategies, characterization methods, and mechanism studies. This comprehensive review sheds new light on design strategies, relevant characterizations, and thorough mechanism investigations aimed at fostering the development of efficient catalysts, thereby expediting progress in the industrial implementation of propene epoxidation.
Ultrasound‐Responsive Polymeric Piezoelectric Nanoparticles for Remote Activation and Neuronal Differentiation of Human Neural Stem Cells
Authors: Bargero Arianna , Battaglini Matteo , Curiale Tommaso , Carmignani Alessio , Montorsi Margherita , Labardi Massimiliano , Pucci Carlotta , Marino Attilio , Ciofani Gianni
Published: November 2024

The regenerative capacity of the central nervous system (CNS) is limited. Understanding and enhancing the mechanisms that induce neural differentiation of neural stem cells (NSCs) is crucial for advancing regenerative medicine; one significant challenge in this effort is the remote delivery of pro‐differentiation cues. In this framework, a nanotechnology‐based solution able to remotely trigger the differentiation of human NSCs (hNSCs) into neurons is proposed. The approach involves organic piezoelectric nanotransducers, which can be remotely activated by low‐intensity ultrasound (US) for local and noninvasive electrical stimulation. Highly biocompatible piezoelectric polymeric nanoparticles, when activated by US, demonstrate the ability to induce calcium influx, exit from the cell cycle, and neuronal differentiation in hNSCs, as evidenced by calcium imaging experiments and the expression analysis of the NeuN post‐mitotic neural marker; additionally, an increased outgrowth of the developing axons is observed. Gene expression analysis moreover suggests that the neural differentiation mechanism induced by piezoelectric stimulation acts by upregulating the calcium signaling‐sensitive NeuroD1 neural inducer and the Lamb1 marker, independently of the c‐Jun/c‐Fos pathway. Considering the high biocompatibility and the good piezoelectricity of the polymeric nanotransducers used in this work, it is believed that this “wireless” stimulation approach holds high potential in CNS regenerative medicine.
Predicting the Electrical Behavior of Colored Photovoltaic Modules Integrating Absorptive or Diffusive Layers or PMMA Films Doped with Organic Chromophores
Authors: Pelle Martina , Motta Irene , Gonnella Gabriella , Dessì Alessio , Armelao Lidia , Bottaro Gregorio , Calamante Massimo , Mordini Alessandro , Moser David
Published: November 2024

The advancement of photovoltaic (PV) technology is critical for sustainable energy production, with silicon‐based solar cells being the most prevalent due to their efficiency and cost‐effectiveness. In recent years, the use of materials to change the color of conventional silicon‐based PV cells, materials that can be laminated or not during the construction of the PV module, has become widespread. Colored PV cells offer aesthetic versatility, making them suitable for integrated architectural applications. However, these materials affect the performance of the final product. This study focuses on developing a predictive model for the performance of colored silicon PV cells. A comprehensive approach combining experimental data and computational simulations is employed to understand the impact of various colors on the electrical performance of colored PV modules, based on the optical properties of the colored layers. The model demonstrates high accuracy across a range of coloring technologies, including selective absorbers, diffusive layers, and fluorescent materials. The developed model accurately predicts the performance metrics of colored PV cells, providing valuable insights for optimizing design and material selection.
Advancements in Laser Beam Welding for Dissimilar Material Joining: Exploring Weldability Assessment, Challenges, Parametric Influences on the Mechanical–Microstructural Properties in Steel‐Alloyed Metal Combinations
Authors: Biswas Amit Rattan , Banerjee Nirvik , Sen Abhishek , Maity Saikat Ranjan , Bains Pardeep Singh , Sharma Shubham , Kalyani Teku , Abbas Mohamed
Published: November 2024

With the growing demands in several sectors such as the automotive, biomedical, construction, shipbuilding, aerospace, and other manufacturing units, employment of welding techniques has observed a rapid boom in recent times. Laser welding technique is one such recent sign of progress in the fabrication field. Laser beam welding is a radiant energy welding process widely adapted to join a variety of metals and nonmetals. The demand for the dissimilar material welding increases with the increase in industrial needs. Several severe challenges need to be overcome to have such dissimilar welded components mainly as the significant difference in melting point, different combinations of mechanical, metallurgical, chemical, and thermal properties. The present approach attempts to study the weldability of steel and its alloys with other metals and parametric effects on mechanical and microstructural properties. The study reveals that the laser beam offset plays a vital role to achieve sound quality welded joint with desirable weld strength. It has been found that 0.32 mm beam offset generates 243 MPa ultimate tensile strength in the 316L to TC4 dissimilar welds. Again, the addition of interlayers also improves the joint strength of both steel‐to‐aluminum and steel‐to‐titanium dissimilar welded joints.
Thermodynamic Constraints and Prospects for Intensified Steel Deoxidation
Authors: Holappa Lauri , Nurmi Sonja
Published: November 2024

The thermodynamic constraints of steel deoxidation are discussed based on calculated [%Me]–[%O] diagrams for different deoxidizing elements in pure Fe and five examples of steel grades, highlighting the influence of alloying on the equilibria. The role of deoxidation product oxides is considered with special emphasis on the activity of SiO2 and the possibility of utilizing slags with a very low aSiO2 to amplify the deoxidizing power of silicon. This effect was verified for SiCr spring steel and 18Cr8Ni stainless steel. The results indicate a strong reduction in equilibrium oxygen content. Different means for industrial implementation of this principle are discussed. The conventional steel/slag equilibration via gas stirring is tested in practice. As potentially more efficient methods, slag powder injection (argon, lance) and cored wire injection combined with argon bubbling are studied. In such treatments, specific tailored slag additives can be used for divergent steel grades to optimize steel cleanliness and inclusion engineering.
Influence of V and V–N Addition on the High‐Cycle Fatigue Performance for EH40‐Grade High‐Strength Hull Structure Steels
Authors: Guanglong Li , Jiuhan Xiao , Ling Yan , Pengcheng Liu , Jinyi Liu , Boyong Li , Peng Zhang , Xiangyu Qi
Published: November 2024

As the demand for polar ships with long‐term service in ice environment increases, the steel materials are required to have key properties of high strength, toughness, and fatigue properties. The mechanical properties of hull structure steel with three different composition systems are investigated by tensile test, impact test, hardness test, and high‐cycle fatigue test, and the microstructure is observed and analyzed by optical microscope, scanning electron microscope–electron backscatter diffraction, and transmission electron microscope. The results show that the addition of V and V–N elements improves the mechanical properties of steel plates, especially the fatigue performance. The fatigue limits of V0, V and V–N steels are 250, 275, and 292 MPa, respectively. The microstructures of the steel plates are composed of ferrite and bainite, and the proportion of ferrite in steels increases with the addition of V and V–N elements. The fatigue cracks initiate in the soft phase nearby the soft/hard phase interface and propagate along the soft phase to form transgranular fracture. The fatigue limit of steels is elevated by doping V and V–N elements which increases the strength of ferrite. Moreover, the enhancement effect of V–N compound addition is better than that of V individual addition.
Adaptive Learning in Robust Linear Regression With a Semiparametric Skew‐Normal Scale Mixture Distribution
Authors: Seo Byungtae , Oh Sangkon
Published: November 2024

The ordinary least squares method is commonly used for estimating regression coefficients for the linear regression. However, this approach is highly sensitive to influential outliers and loses efficiency when the error follows a skewed or heavy‐tailed distribution. To address these limitations, we propose the adoption of semiparametric skew‐normal scale mixture distributions for the error. By using a nonparametric maximum likelihood estimator for the scale factor in skew‐normal scale mixture, we can mitigate the risk of misspecification issues and produce robust estimators without any model selection procedure. Furthermore, we present simulation studies and real data analyses to demonstrate the performance of the proposed method.