bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced Rubber–Plastic Compatibility for Novel Multifunctional Thermoplastic Vulcanized Rubber
Authors: Gao Wenke , Zou Muhua , Yue Song , Liu Yudong , Li Bingxiang , Liu Jinhui , Liu Kai 
Published: December 2024

ABSTRACTThermoplastic vulcanizate (TPV), with both rubber‐like elasticity and plastic‐like molding processing, suggests great potential in automobile manufacturing, medical equipment, aerospace, and other fields. However, due to the poor rubber–plastic compatibility and the lack of functional elastomers, the commercial TPV is mainly prepared based on the ethylene propylene diene monomer/polypropylene (EPDM/PP) composites. Herein, we employed high vinyl polybutadiene rubber (HVBR) as the rubber phase and PP as the plastic phase to realize a novel multifunctional TPV. Benefiting from the strong rubber–plastic interfacial interaction and compatibility, the dynamically vulcanized HVBR region transformed into the island‐like phase and was uniformly distributed in the PP phases, thereby forming an even and continuous “sea‐island” structure. By optimizing the HVBR/PP blending ratio, the prepared TPV showed multifunctionality, including high mechanical strength, high elasticity, high damping, good shape memory, and repeatable processability. Collectively, the research strategy and results in this work suggest a feasible pathway toward high‐performance and multifunctional thermoplastic elastomers.
Lignin‐Modified Epoxy Resin With Good Mechanical and Shape Memory Performance Fabricated by Synergistic Dispersion and Crosslinking With Polyetheramine
Authors: Xu Hongjun , Pan Jianqiang , Chen Changbiao , Zhao Songmei , Xiao Jiahao , Wang Hui , Wu Xinxing , Han Shuaibo , Zhang Yan , Sun Fangli 
Published: December 2024

ABSTRACTTo improve the reactivity and compatibility of lignin, it was first functionalized via the method of epoxidation. The epoxidized lignin (LEP) modified epoxy resin with good mechanical and shape memory performance was fabricated ingeniously by introducing the LEP into the epoxy resin homogeneously with the aid of synergistic dispersion and crosslinking of polyetheramine without using organic solvents. The effect of LEP addition on the curing reaction, thermal, mechanical, and shape memory performance of epoxy resin were intensively evaluated. The epoxy‐diamine curing reaction was promoted by the LEP incorporation, and the thermal stability and mechanical performance of epoxy resin were improved. The tensile strength and modulus of the LEP‐modified epoxy were increased by 14.3% and 32.5%, respectively. Such reinforcing effect of LEP on the thermal and mechanical performance was contributed to the rigid LEP chains which were chemically crosslinked into the network of epoxy resin uniformly. Also, the rigid LEP component in the cured epoxy resin inhibited the movement of chain segments, which could enhance the mechanical stability and slow down the rapid shape recovery rate of the epoxy resin network to some extent.
Effect of Hard Segment Content and Molecular Weight of Liquid Polysulfide on the Microphase Separation Structure–Property of One‐Component Polysulfide Adhesives
Authors: Han Xu , Pan Zhijian , Chang Le , Ji Yumei , Wang Zeqian , Liu Feng 
Published: December 2024

ABSTRACTThe degree of microphase separation plays a vital role in one‐component polysulfide adhesives determining their mechanical properties and thermal stability. However, the degree of microphase separation was mainly determined by the hard segment content and molecular weight of liquid polysulfide. In this work, we successfully prepared a series of one‐component polysulfide adhesives with 30 wt%–50 wt% hard segment content by using 4,4‐diphenylmethane diisocyanate (MDI), different molecular weights (1000, 2500, and 4000 g/mol) of liquid polysulfides (JLY‐121/1225/124) and 1,4‐butanedithiol (BSO), and systematically investigated the relationship between microphase separation and material's properties. The results revealed that higher hard segment content and larger molecular weight of liquid polysulfide contributed to forming a higher degree of microphase separation, respectively. Among them, the optimal mechanical properties and thermal stability were obtained at 40 wt% hard segment content when JLY‐1225 (2500 g/mol) was used. After immersion in the oil and water for 21 days, the tensile strength of C40‐1225 could still reach 16.99 ± 0.80 and 14.87 ± 0.30 MPa, with a tensile strength retention rate of 75.75% (oil) and 66.30% (water), confirming that one‐component polysulfide adhesives had good solvent resistance.
Piezoelectric Energy Harvesting and Body Motion Sensing of a Pair of 0D Chiral Hybrid Metal Halides
Authors: Zhao Chen , Li Zi‐Ying , Gong Yong‐Ji , Yang Hai‐Run , Zhang Zhuo , Feng Rui , Li Wei 
Published: December 2024

AbstractChiral hybrid metal halides have received considerable attention in circularly polarized luminescence and spintronics due to their structural diversity, ease of synthesis, and chemical versatility. However, only a limited number of chiral metal halides have been utilized in piezoelectric energy harvesters and motion sensors. Furthermore, the exploration of 0D chiral piezoelectric materials is still in their early stage, offering substantial potential for further development. Herein, a pair of enantiomorphic hybrid metal halide piezoelectrics, R‐(1‐2‐NEA)2CdCl4 and S‐(1‐2‐NEA)2CdCl4 (1‐2‐NEA+=1‐(2‐naphthyl) ethylamine cation), were synthesized and structurally characterized. In addition, the devices comprising R‐(1‐2‐NEA)2CdCl4/PDMS or S‐(1‐2‐NEA)2CdCl4/PDMS (PDMS=polydimethylsiloxane) composite films were fabricated, and the energy harvesting performance of the devices with varying halide contents was explored. The results demonstrate that the devices comprising 10 wt % R‐(1‐2‐NEA)2CdCl4/PDMS or S‐(1‐2‐NEA)2CdCl4/PDMS exhibit significant energy harvesting capabilities, with an open‐circuit voltage and a short‐circuit current up to 8.24 V and 0.72 μA, respectively. Furthermore, the devices display exceptional mechanical durability after 4500 cycles and demonstrate excellent sensitivity in detecting various human body movements, such as walking, elbow bending, and finger bending. This study highlights the considerable potential of chiral hybrid metal halides for using in energy harvesting and wearable sensors.
Clinical validation of a biopsy‐based six‐gene signature prognostic for aggressive prostate cancer
Authors: Krzyzanowska Agnieszka , Higgins Debra F. , Barron Stephen , Loughman Tony , O'Neill Amanda , Sheehan Katherine M. , Wang Chan‐Ju Angel , Fender Bozena , McGuire Leah , Fay Joanna , O'Grady Anthony , O'Leary Des , Watson R. William , Bjartell Anders , Gallagher William M. 
Published: December 2024

AbstractObjectivesThis study aimed to clinically validate the six‐gene prognostic molecular clinical risk score (MCRS) for the prediction of aggressive prostate cancer in diagnostic biopsy tissue.MethodsMCRS was evaluated in prostate biopsy tissue from a Swedish cohort of men with prostate cancer (UPCA, n = 100). The primary outcome of adverse pathology and secondary outcomes of high primary Gleason (≥G4) and high pathological T‐stage (≥T3) were assessed by likelihood ratio statistics and area under the receiver operating characteristic curves from logistic regression models; time to biochemical recurrence was assessed by likelihood ratio statistics and C‐indexes from Cox proportional hazard regression models.ResultsBiopsy MCRS was significantly prognostic (p < 0.0001) and added significant prognostic value to clinico‐pathological features for adverse pathology, high primary Gleason and high pathological T‐stage (p < 0.0001). MCRS was prognostic for biochemical recurrence and added some, albeit non‐significant, prognostic value to clinical risk stratifiers, which could reflect the low number of recurrence events in the cohort.ConclusionBiopsy‐based MCRS improves risk stratification over standard clinical and pathological information and optimises patient management after diagnosis of prostate cancer.
The Symbiotic Production of Food and Green Electricity: Consumer Preferences for Food Produced in Agrivoltaic Systems
Authors: Schulze Maureen , Jürkenbeck Kristin 
Published: December 2024

ABSTRACTIn light of the commitment by EU member states to achieve climate neutrality for the European continent by 2050, the expansion of renewable energy sources emerges as a significant challenge of our time. Agrivoltaic systems, which combine the production of renewable energy and food, offer a solution to alleviate the competition for limited land resources. However, scientific insights into whether consumers value food produced in agrivoltaic systems are lacking, so far. Knowledge of consumers' preferences is, however, crucial to successfully commercialize food production within agrivoltaic systems. This study addresses this research gap by conducting a hypothetical choice experiment with a sample of 448 German consumers. It examines consumers' preferences for food produced in agrivoltaic systems, using raspberries as a case study. Results of the random parameter logit (RPL) modeling revealed that consumers are willing to pay a premium for food labeled with information about the production of green electricity. Additionally, information on reduced plastic and water usage of food produced within agrivoltaics systems were also valued, next to domestic and regional production. A latent class segmentation was carried out for the targeted marketing for food produced in agrivoltaic systems. This resulted in four distinct consumer segments that differ according to their preference structure. Targeted recommendations are provided to enhance consumer acceptance and facilitate the diffusion of agrivoltaic systems.
Design and Characterization of Ni(II) and Cu(II) Complexes With Methionine and 1,10‐Phenanthroline: Antibacterial and Anti‐Fungal Properties
Authors: AL‐Ghamdi Saleh 
Published: December 2024

ABSTRACTThis research focused on the design and characterization of two new transition metal complexes, NiMetPhe and CuMetPhe, derived from methionine (Met) and 1,10‐phenanthroline (Phe), coordinated with Ni(II) and Cu(II) ions, respectively. Structural elucidation through analytical techniques, conductivity, elemental analysis, FTIR spectra, electronic spectra, magnetic moment, mass spectra, and thermal degradation, confirmed their octahedral geometries with the formulas [Ni(Met)(Phe)(Cl)(H₂O)] and [Cu(Met)(Phe)(Cl)(H₂O)]. Thermal analysis revealed their stability and decomposition patterns, whereas density functional theory (DFT) calculations validated the structures and provided insights into quantum chemical parameters, such as highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO‐LUMO) energies, molecular orbitals, and electronic distributions. In vitro antibacterial and anti‐fungal assays showed significantly enhanced bioactivity for both complexes compared to the free ligands, indicating that metal coordination boosts biological efficacy. Molecular docking studies targeting the Escherichia coli FabH–CoA complex (PDB ID: 1HNJ), a key enzyme in fatty acid biosynthesis, revealed strong binding affinities, interaction energies, and involvement of critical amino acid residues. These findings highlight NiMetPhe and CuMetPhe as promising candidates for antimicrobial therapies, particularly against resistant strains, underscoring their potential for future medical applications.
Unraveling the Molecular Basis for G‐Quadruplex‐Binders to ALS/FTD‐Associated G4C2 Repeats of the C9orf72 Gene
Authors: D'Anna Luisa , Wragg Darren , Mauro Daniela , Rubino Simona , Terenzi Alessio , Barone Giampaolo , Thomas Sophie R. , Casini Angela , Bonsignore Riccardo , Spinello Angelo 
Published: December 2024

AbstractThe most recurrent familial cause of amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD) is the presence of an abnormal number of intronic GGGGCC (G4C2) repetitions in the C9orf72 gene, which has been proposed to drive ALS/FTD pathogenesis. Recently, it has been shown that such G4C2 repetitions can fold into G‐quadruplex (G4) secondary structures. These G4s have been selectively stabilized by small‐molecule binders, furnishing proof‐of‐principle that targeting these non‐canonical nucleic acid sequences represents a novel and effective therapeutic strategy to tackle neurodegenerative disorders. However, precise information on the mechanism of action of these compounds is still lacking. Here, by performing in silico investigations, we unraveled the molecular basis for the selectivity of a series of known structurally related C9orf72 G4‐binders. Moreover, we investigated the binding properties of a strong and selective metal‐based G4 stabilizer, the AuI bis‐N‐heterocyclic carbene (NHC) complex – Au(TMX)2 – showing that it moderately stabilizes G4C2 G4 RNA by Förster resonance energy transfer (FRET) DNA melting assays. Using metadynamics (metaD) simulations, the Au(TMX)2 binding mode and the associated free‐energy landscape were also evaluated. This information paves the way for developing improved compounds to tackle ALS/FTD neurodegenerative disorders.
Abnormal Breast Temperature and Cortical Enlargement of the Axillary Lymph Nodes Through the Thermography
Authors: Renero‐C Francisco‐J , Martínez‐Azmitia Tania‐Cristell 
Published: December 2024

ABSTRACTBreast thermography may be used for the early detection of breast diseases in women younger than 50 years. Performed breast thermography on a woman in her 20s, revealing an average temperature difference of about 1°C. Ultrasound imaging further identified a simple cyst and enlarged, vascularized lymph nodes in both axillae.
Rare Association of Dermatitis Herpetiformis and Chronic Plaque Psoriasis
Authors: Chekairi Fatima Ezzahraa , Hali Fouzia , Chraibi Zineb , Hliwa Wafaa , Chiheb Soumiya 
Published: December 2024

ABSTRACTDermatologists should consider investigating for coexisting autoimmune conditions such as dermatitis herpetiformis and/or coeliac disease, in patients with psoriasis presenting clinical signs and symptoms, in order to ensure an accurate diagnosis and improve patients' long‐term management.
Monitoring a Coffee Roasting Process Based on Near‐Infrared and Raman Spectroscopy Coupled With Chemometrics
Authors: Munyendo Leah , Schuster Katharina , Armbruster Wolfgang , Babor Majharulislam , Njoroge Daniel , Zhang Yanyan , von Wrochem Almut , Schaum Alexander , Hitzmann Bernd 
Published: December 2024

ABSTRACTRoasting is a fundamental step in coffee processing, where complex reactions form chemical compounds related to the coffee flavor and its health‐beneficial effects. These reactions occur on various time scales depending on the roasting conditions. To monitor the process and ensure reproducibility, the study proposes simple and fast techniques based on spectroscopy. This work uses analytical tools based on near‐infrared (NIR) and Raman spectroscopy to monitor the coffee roasting process by predicting chemical changes in coffee beans during roasting. Green coffee beans of Robusta and Arabica species were roasted at 240°C for different roasting times. The spectra of the samples were taken using the spectrometers and modeled by the k‐nearest neighbor regression (KNR), partial least squares regression (PLSR), and multiple linear regression (MLR) to predict concentrations from the spectral data sets. For NIR spectra, all the models provided satisfactory results for the prediction of chlorogenic acid, trigonelline, and DPPH radical scavenging activity with low relative root mean square error of prediction (pRMSEP < 9.649%) and high coefficient of determination (R2 > 0.915). The predictions for ABTS radical scavenging activity were reasonably good. On the contrary, the models poorly predicted the caffeine and total phenolic content (TPC). Similarly, all the models based on the Raman spectra provided good prediction accuracies for monitoring the dynamics of chlorogenic acid, trigonelline, and DPPH radical scavenging activity (pRMSEP < 7.849% and R2 > 0.944). The results for ABTS radical scavenging activity, caffeine, and TPC were similar to those of NIR spectra. These findings demonstrate the potential of Raman and NIR spectroscopy methods in tracking chemical changes in coffee during roasting. By doing so, it may be possible to control the quality of coffee in terms of its aroma, flavor, and roast level.
Highly stabilized and selective ammonia electro‐oxidation over CuNi metallic glass nanoarray
Authors: Tian Yunrui , Chen Rui , Liu Xiaoqing , Mao Zixian , Tan Haotian , Yang De'an , Hou Feng , Liu Xiaoguang , Yin Lichang , Yan Xiao , Liang Ji 
Published: December 2024

AbstractElectrochemical nitrogen looping represents a promising carbon‐free and sustainable solution for the energy transition, in which electrochemical ammonia oxidation stays at the central position. However, the various nitrogen‐containing intermediates tend to poison and corrode the electrocatalysts, even the state‐of‐the‐art noble‐metal ones, which is worsened at a high applied potential. Herein, we present an ultrarapid laser quenching strategy for constructing a corrosion‐resistant and nanostructured CuNi alloy metallic glass electrocatalyst. In this material, single‐atom Cu species are firmly bonded with the surrounding Ni atoms, endowing exceptional resistance against ammonia corrosion relative of conventional CuNi alloys. Remarkably, a record‐high durability for over 300 h is achieved. Ultrarapid quenching also allows a much higher Cu content than typical single‐atom alloys, simultaneously yielding a high rate and selectivity for ammonia oxidation reaction (AOR). Consequently, an outstanding ammonia conversion rate of up to 95% is achieved with 91.8% selectivity toward nitrite after 8 h. Theoretical simulations reveal that the structural amorphization of CuNi alloy could effectively modify the electronic configuration and reaction pathway, generating stable single‐atom Cu active sites with low kinetic barriers for AOR. This ultrarapid laser quenching strategy thus provides a new avenue for constructing metallic glasses with well‐defined nanostructures, presenting feasible opportunities for performance enhancement for AOR and other electrocatalytic processes.
Sn(IV) Complexes of 5,10,15,20‐Tetraaryl‐5,15‐diazaporphyrinoids: A Promising Platform for Evaluating the 20π‐Electron Antiaromaticity
Authors: Suzuki Hiroya , Minoura Mao , Furukawa Ko , Nakano Haruyuki , Matano Yoshihiro 
Published: December 2024

AbstractPorphyrinoids in the 20π‐electron state have been extensively studied from the fundamental viewpoint of investigating their structure–antiaromaticity relationships. However, most of the 20π porphyrinoids are highly distorted and unstable in air, which hinder the comprehensive analysis of paratropic ring‐current effects derived from planar π‐electron systems. Herein, we present the first examples of antiaromatic Sn(IV) complexes of 5,10,15,20‐tetraaryl‐5,15‐diazaporphyrinoids (SnX2TADAPs), prepared by the complexation of the corresponding freebases with Sn(II) chloride under aerobic conditions and subsequent metathesis of the axial ligands, that show paratropic ring‐current effects. Notably, both neutral 20π‐electron derivatives and 19π‐electron radical cations of SnX2TADAP are extremely stable in air owing to the intrinsic electronic effects of the central Sn(IV) unit and meso nitrogen atoms. NMR spectroscopy, cyclic voltammetry, and density functional theory calculations were performed to assess the ring‐current effects and orbital energies of a series of the 20π‐electron SnX2TADAPs, and the results reveal that the paratropic ring‐current effects arising from the planar 20π‐electron DAP ring increases with a decrease in the HOMO–LUMO energy gap.
Pd/Cu Catalyzed Asymmetric Allylation for Stereodivergent Synthesis of Glutamic Acid Derivatives
Authors: Li Chaopeng , Liu Yong , Han Zhaobin , Wang Zheng , Ding Kuiling 
Published: December 2024

AbstractA synergistic Pd/Cu catalyst system has been developed for stereodivergent transformation of Morita‐Baylis‐Hillman (MBH) carbonates and Schiff bases derived from simple amino acids to afford a series of optically active β‐branched γ‐methyleneglutamic acid derivatives with adjacent tertiary/tertiary and quaternary/tertiary stereocenters in high yields (up to 96 %) with excellent diastereo‐ and enantioselectivities (>20/1 dr and >99 % ee in most cases) under mild conditions. The use of SKP ligand is disclosed to be crucial for the success of the transformation, and in particular allowing the reaction to proceed at low catalyst loading (0.02 mol % for Pd and 0.08 mol % for Cu). The high efficiency of the catalysis was attributed to the formation of intimate ion pair complex A1, composed of Pd‐phosphonium cation and a t‐butoxide anion, which would facilitate the subsequent deprotonation and C−C coupling events. All four stereoisomers of the β‐branched glutamic acid derivatives were readily prepared by permutation of the catalyst enantiomers. Synthetic utility of the methodology was exemplified by efficient synthesis of a fused pyrrolooxazolidinone with three contiguous chiral centers, highlighting the power of synergistic Pd/Cu catalysis for asymmetric allylic alkylation with MBH carbonates.
Gastric Outlet Obstruction as a First Symptom of a Non‐Muscle Invasive Bladder Cancer (NMIBC) Progression—A Case Report
Authors: Apostolski Duje , Roitner Florian 
Published: December 2024

ABSTRACTBackgroundMetastatic disease of a urinary bladder cancer localized in the upper abdomen is very rare. This case report describes the first patient with a urinary bladder cancer progression, initially presenting as a gastric outlet obstruction due to peritoneal carcinomatosis.CaseWe present the case of a 78‐years‐old male patient who was admitted to Hospital St. Josef Braunau in Austria with persistent vomiting. In the medical history, the most prominent finding was a diagnosed high‐risk NMIBC. At the time, patient was between 2. and 3. BCG maintenance instillation cycle, following two transurethral resections. Routine follow‐up cystoscopy 1 month before admission to our department showed no evidence of disease recurrence. Due to the therapy resistant vomiting, gastroscopy was performed, revealing duodenal stenosis without mucosal changes. Subsequently performed abdominal CT‐scan showed homogenous swelling of the mesenteric fat tissue around duodenum, spreading retroperitoneal to both kidneys. In the absence of the typical peritoneal carcinomatosis features, the finding was firstly described as an inflammation of mesenteric fat or panniculitis mesenterialis. Further deterioration of patient's condition and later occurred bilateral hydronephrosis raised a suspicion of peritoneal carcinomatosis. Consequently, conducted laparoscopic exploration confirmed the suspicion describing the tissue conglomerate typical for peritoneal carcinomatosis surrounding the duodenum. Pathohistological analysis of taken samples proved urothelial cancer cells, confirming the diagnosis of metastatic bladder cancer disease.ConclusionThis case report presents a very unusual presentation of metastatic urinary bladder cancer that could help clinicians to consider this diagnosis when encountering similar clinical features.