bluuebunny/crossref_metadata_2025_split huggingface dataset:
Polyoxometalate Confined Synthesis of BiVO4 Nanocluster for Urea Production with Remarkable O2/N2 Tolerance
Authors: Yao Shuang , Jiang Shi‐Yi , Wang Bai‐Fan , Yin Hua‐Qing , Xiang Xue‐Yan , Tang Zhao , An Chang‐Hua , Lu Tong‐Bu , Zhang Zhi‐Ming 
Published: November 2024

AbstractUrea electrosynthesis from flue gas and NO3− under operating conditions represents a promising alternative technology to traditional energy‐intensive industrial process. Herein, we explore a polyoxometalate confined synthesis strategy to prepare ultrafine BiVO4 nanocluster by pre‐incorporating [V10O28]6− into NH2‐MIL‐101‐Al (MIL) framework. The resulting BiVO4@MIL‐n can efficiently drive co‐reduction of NO3− and CO2 to urea. A record urea yield of 63.4 mmol h−1 gcat−1 was achieved under CO2/O2 mixed gases (33 % O2) atmosphere, and comparable performance can be obtained by feeding flue gas, demonstrating remarkable O2/N2 tolerance and potential feasibility for urea production under operating conditions. Systematic investigations revealed that MIL carrier with ‐NH2 group can enrich CO2, and BiVO4 nanocluster can reduce both NO3− and CO2 to ensure efficient urea synthesis even in the presence of O2. This work demonstrates the key role of in situ growth of BiVO4 nanocluster within a NH2‐framework in facilitating urea electrosynthesis with exceptional tolerance to O2/N2.
Fluorierte Squareimine zur molekularen Trennung von aromatischen und aliphatischen Verbindungen
Authors: Pausch Tobias , Clopot Samanta , Jordan Dustin N. , Weingart Oliver , Janiak Christoph , Schmidt Bernd M. 
Published: November 2024

AbstractDie Entwicklung energieeffizienterer Trenntechnologien ist von entscheidender Bedeutung. Insbesondere die Trennung von cyclischen aliphatischen Kohlenwasserstoffen von ihren aromatischen Gegenstücken bleibt aufgrund der Bildung von Azeotropen und ähnlicher physikalischer Eigenschaften eine große Herausforderung, die oft energieintensive Prozesse erfordert. Hier stellen wir eine neue Klasse von elektronenarmen Makrocyclen mit einer einzigartigen rechteckigen Struktur vor, um Interaktionen innerhalb der Poren zu optimieren, wodurch eine hochselektive molekulare Abtrennung aromatischer Verbindungen aus diesen Mischungen ermöglicht wird. Durch die Nutzung dynamisch‐kovalenter Iminchemie wird das auf Squareimin NDI2F42‐basierende kristalline Material direkt in hoher Ausbeute (83 %) aus der Reaktionsmischung erhalten. Analog wird das größere Kongener NDI2F82 mit einer Ausbeute von 69 % gewonnen. In Dampfsorptions‐ und Diffusionsexperimenten zeigt NDI2F42 schnelle Adsorptionskinetiken mit einer Selektivität von 97 : 3 für Benzol gegenüber Cyclohexan und 93 : 7 für Toluol gegenüber Methylcyclohexan, während Röntgenstrukturanalysen an Einzelkristallen und Pulvern darauf hindeuten, dass die Selektivität hauptsächlich durch gerichtete Wechselwirkungen zwischen den elektronenarmen Paneelen und den aromatischen Gästen bestimmt wird.
Fluorinated Squareimines for Molecular Sieving of Aromatic over Aliphatic Compounds
Authors: Pausch Tobias , Clopot Samanta , Jordan Dustin N. , Weingart Oliver , Janiak Christoph , Schmidt Bernd M. 
Published: November 2024

AbstractThe development of more energy‐efficient separation technologies is essential. Especially the separation of cyclic aliphatic hydrocarbons from their aromatic counterparts remains a significant challenge due to azeotrope formation and similar physical properties, often requiring energy‐intensive processes. Herein, we introduce a novel class of electron‐deficient macrocycles with a unique rectangular structure to optimise interactions within the pore, enabling the highly selective molecular sieving of aromatic compounds from mixtures. Utilising dynamic covalent imine chemistry, the squareimine NDI2F42‐based crystalline functional material is directly obtained from the reaction mixture in a single self‐assembly step in high yields of 83 %, alongside the larger NDI2F82 congener, which can be obtained in 69 % yield. In vapour sorption and diffusion experiments, NDI2F42 demonstrates rapid adsorption kinetics with selectivities of 97 : 3 for benzene over cyclohexane and 93 : 7 for toluene over methylcyclohexane, while single‐crystal and powder X‐ray diffraction studies indicate that the selectivity is primarily governed by directed interactions between the electron‐deficient panels and aromatic guests.
Properties of thermoplastic polyurethane synthesized from bio‐based diisocyanate for FDM 3D printing
Authors: Rahman MD Ashikur , Prasad Cheera , Mahadi Naiem , Rao A. Karteek , Choi Soon Mo , Choi Hyeong Yeol , Shin Eun Joo 
Published: November 2024

AbstractBio‐based polymeric materials have recently gained popularity due to their unique properties, including environmental friendliness, biodegradability, and sustainability. In this study, the bio‐based TPUs were successfully synthesized by one‐shot polymerization method, utilizing 100% bio‐based polytrimethylene ether glycol (PO3G) as polyols, 71% bio‐based 1,5‐pentamethylene diisocyanate (PDI) as isocyanates, and 100% bio‐based 1,4‐butanediol BDO as chain extenders. The as‐prepared TPUs, which contained up to 92% bio‐based material were investigated using a variety of analytical methods, including morphological investigations, mechanical testing, thermal analysis, rheological behavior, docking analysis, and cytotoxicity studies. For PPB 3 (1:3:2), PPB 4 (1:4:3), PPB 5 (1:5:4), and PPB 7 (1:7:6), the initial modulus values were 78, 151, 194, and 314 GPa, and the shore‐A hardness values were 92, 93, 93, and 94. Additionally, a notable variation in the degree of phase separation (DPS) of 0.575, 0.647, 0.716, and, 0.738 between hard segment (HS) and soft segment (SS) was noticed among synthesized bio‐based TPUs and an increase in DPS with higher molar ratios corresponded to a higher content of HS. Besides, the bio‐based TPU proved outstanding cell viability results, representing its potential appropriateness for various biomedical applications. Eventually, docking simulations were shown in silico to evaluate the interaction of bio‐based TPU with the DNA gyrase enzyme. Furthermore, the results of bio‐based TPUs demonstrated excellent applications in the production of 3D printing using FDM. We effectively prepared 3D printing to provide a viable answer to environmental concerns.
PEDOT:PSS Electropolymerization Protocol for Microelectrodes Enabling Low‐Cost Impedance‐Based Cellular Assays
Authors: Kauth Andrea , Wegener Joachim , Jiang Huijie , Pachauri Vivek , Ingebrandt Sven 
Published: November 2024

ABSTRACTElectric cell‐substrate impedance sensing (ECIS) is a label‐free method for in vitro cell analysis in different research fields such as virology, cancer research, and stem cell research. In the ECIS configuration, the working electrode (WE) is typically much smaller than the counter electrode, thus the measured impedance between both is mainly dominated by the impedance of the WE. However, if the impedance of the WE is too high, it is challenging to detect small changes in impedance caused by cells attached to the electrode surface. In this study, we present an easily reproducible and cost‐effective method to lower the impedance of commercial ECIS electrodes, and by this increase the cell contribution in adhesion assays. Hereby we deposit a thin layer of poly(3,4‐ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) only onto the gold electrodes by electropolymerization and study the layer characteristics in detail. We compare cell‐free and cell‐covered impedance spectra of gold and PEDOT:PSS electrodes recorded with a low‐cost potentiostat and analyze the ECIS spectra of two different cell lines in detail.
Harbour Porpoise Bycatch: Determining Spatial Distribution of Risk to Inform Management Measures
Authors: Irvine Hope E. , Pinn Eunice H. , Smith I. Philip , Lart William 
Published: November 2024

ABSTRACTBycatch in static nets (i.e., gillnets, trammel nets and tangle nets) has been identified as the leading cause of harbour porpoise mortality globally. Various options are available for mitigating and managing this risk. However, selecting the most effective management measures to balance harbour porpoise conservation needs with sustainable fishing practice is challenging. By understanding the spatial variation of bycatch risk, it is possible to tailor mitigation and management options for a specific localised area or region. This study identified areas of potential interaction between harbour porpoise and static net fishing activity. An interaction index, a measure of the coincidence of porpoise and fishing activity, was developed. Using this approach, it was possible to differentiate between areas that potentially represented concentrations of higher bycatch risk and other areas with a lower but more widespread level of risk. For the Irish and Celtic Seas, an area recognised as having the highest harbour porpoise bycatch rate in European waters, there was a low to moderate interaction index, with the risk spread over a relatively large area. In the North Sea, in contrast, high values of the interaction index occurred in smaller areas, indicating that bycatch risk was more concentrated in this region. With the exception of some coastal areas, the interaction index was generally low for the West of Scotland and Ireland region. The identification of potential areas of interaction between harbour porpoise and static net fishing provides an opportunity to focus monitoring efforts and inform management decisions. For example, the use of area‐based management encompassing small areas may be appropriate when spatially concentrated risk of bycatch is evidenced, whereas the use of technical measures, such as pingers, could be considered for areas with widespread lower risk of bycatch.
Fruit Extract Mediated Formation of Luminescent Titanium Dioxide Nanometer‐Sized Particles: An Innovative Strategy in Domain of Photodecomposition and Germicidal Properties
Authors: Monikadevi G. , Vijayakumar S. , Vanathi P. , Prathipkumar S. , Al‐Sadoon Mohammad Khalid , Srinivasan P. , Vidhya E. 
Published: November 2024

ABSTRACTDiscoveries in nanotechnologies are placing a great deal of attention on greener strategies that use harmless substances and moderated reactions to promote healthy development. This work used a straightforward, innovative, and cost‐effective sustainable approach to produce bio‐augmented TiO2 nanometer‐sized particles (NMSP) by applying a water‐based extract of the star fruit as a stabilization and reduction agent. A variety of techniques, comprising UV–Vis, XRD, FT‐IR, FE‐SEM with EDAX, and TEM, have been employed to investigate the formed TiO2 NMSP. The germicidal properties of formed TiO2 NMSP towards germs have been investigated by implementing an agar‐based pore plate technique. Congo red and methylene blue dyes have been applied to assess photodecomposition activity. The TiO2 NMSP exhibited significant germicidal efficacy versus many pathogenic microbes. The maximum degradation percentages of Congo red and methylene blue were 89.2% and 83.7%, achieved after 60 and 70 min, respectively. Consequently, it is determined that the selected NMSP composition enhanced germicidal and photodecomposition capabilities. The combined effort may serve as an effective method for eliminating color degradation concerning effluent and could potentially be employed in the field of medicine to address antibiotic resistance.
Genome‐Scale Modeling of CHO Cells Unravel the Critical Role of Asparagine in Cell Culture Feed Media
Authors: Pang Kuin Tian , Hong Yi Fan , Shozui Fumi , Furomitsu Shunpei , Myint Matthew , Ho Ying Swan , Silberberg Yaron R. , Walsh Ian , Lakshmanan Meiyappan 
Published: November 2024

ABSTRACTAmino acids, including asparagine, aspartate, glutamine, and glutamate, play important roles in purine and pyrimidine biosynthesis as well as serve as anaplerotic sources fueling the tricarboxylic acid (TCA) cycle for mitochondrial energy generation. Despite extensive studies on glutamine and glutamate in CHO cell cultures, the roles of asparagine and aspartate, especially in feed media, remain underexplored. In this study, we utilized a CHO genome scale model to first deeply characterize the intracellular metabolic states of CHO cells cultured in different combinations of basal and feed media to understand the traits of asparagine/aspartate‐dependent and glutamate‐dependent feeds. Subsequently, we identified the critical role of asparagine and aspartate in the feed media as anaplerotic sources and conducted in silico simulations to ascertain their optimal ratios to improve cell culture performance. Finally, based on the model simulations, we reformulated the feed media by tailoring the concentrations of asparagine and aspartate. Our experimental data reveal a CHO cell preference for asparagine compared with aspartate, and thus maintaining an optimal ratio of these amino acids is a key factor for achieving optimal CHO cell culture performance in biopharmaceutical production.
An Experimental and Modeling Approach to Study Tangential Flow Filtration Performance for mRNA Drug Substance Purification
Authors: Nourafkan Ehsan , Kenyon Charlotte , Nair Adithya , Loveday Kate A. , Welbourne Emma N. , Tao Min , Ahmed Mahdi , Middleton Joseph , Dickman Mark J. , Brown Solomon F. , Maamra Mabrouka , Cordiner Joan , Kis Zoltán 
Published: November 2024

ABSTRACTFollowing the recent COVID‐19 pandemic, mRNA manufacturing processes are being actively developed and optimized to produce the next generation of mRNA vaccines and therapeutics. Herein, the performance of the tangential flow filtration (TFF) was evaluated for high‐recovery, and high‐purity separation of mRNA from unreacted nucleoside triphosphates (NTPs) from the in vitro transcription (IVT) reaction mixture. For the first time, the fouling model was successfully validated with TFF experimental data to describe the adsorption of mRNA on filtration membrane. The fouling model enables monitoring of the mRNA purification processes, designing an appropriate strategy for filter clean‐up, replacing the column at the right time and reducing the process cost. Recovery greater than 70% mRNA without degradation was obtained by implementing a capacity load of ∼19 g/m2, <2.5 psi transmembrane pressure (TMP) and feed flux of 300 LMH. This approach also enables the purification of multiple mRNA drug substance sequences for the treatment of a wide range of different diseases.
Genetic Alterations in Chromatin Regulatory Genes in Upper Tract Urothelial Carcinoma and Urothelial Bladder Cancer
Authors: Wang Shuo , Yan Xuzhi , Lan Weihua , Wang Yapeng , Wang Ze , Tong Dali , Zhang Yao , Ran Qiang , Li Haoyang , Jin Junhao , Xiao Haiyang , Xu Jing , Yan Qian , Zhang Dianzheng , Ma Qiang , Xiao Hualiang , Qin Jun , Wang Luofu , Jiang Jun , Liu Qiuli 
Published: November 2024

ABSTRACTPurposeUpper tract urothelial carcinoma (UTUC) and urothelial carcinoma of the bladder (UCB) share histomorphological and therapeutic features but distinct epidemiologic and clinicopathologic characteristics. We examined alterations of chromatin regulatory genes in molecular subtypes, clonal relatedness, and T‐cell receptor (TCR) diversity in UTUC and UCB.Materials and MethodsTargeted next‐generation sequencing or whole‐exome DNA sequencing and TCR sequencing were conducted with 34 UTUC and 49 UCB specimens from 63 patients. Tumors were subtyped based on the expression of CK5 and GATA3. Results of tissue microarray of 78 muscle‐invasive bladder cancer (MIBC) samples were used as prognostic factors of different subtypes of MIBC.ResultsChromatin regulatory genes were frequently mutated in both UTUC and UCB. Rapid relapse and progression of non‐MIBC are correlated with alterations of KMT2C and EP300. Frequency of alterations in chromatin regulatory genes is higher in UTUC patients with SBS22 and SBS2 signatures and lower in UCB patients with SBS2 and SBS6 signatures. GATA3 and CK5 double‐positive patients with higher frequencies of SMARCA4, ARID1A, and EP300 mutations have better prognoses than patients with basal subtypes. Although UTUC and UCB in the same patient can be either clonally related or developed independently, mutated genes in chromatin pathway were enriched in the related clones. Compared to UTUC, UCB had more deleterious mutations in DNA damage repair (DDR) genes, higher levels of tumor mutation burden (TMB) and copy number variations (CNVs), as well as higher TCR clonality and lower TCR diversity.ConclusionsSince genetic alterations of the chromatin pathway genes are important in both UTUC and UCB, they could serve as potential biomarkers for predicting disease progression and therapeutic targets. Differences in mutation frequencies of DDR pathway, TMB, CNV, and TCR might be the contributing factors for the distinct responses to immune checkpoint inhibitor (ICI) between UTUC and UCB.
Pretreatment Quality of Life and Substance Use Among Patients Diagnosed With Head and Neck Cancer
Authors: Adjei Boakye Eric , Nassar Sami I. , Alzouhayli Suma J. , Williams Amy M. , Chang Steven S. , Ghanem Tamer A. , Gilbert Marissa , Momin Suhael , Siddiqui Farzan , Wu Vivian F. , Tam Samantha H. 
Published: November 2024

ABSTRACTBackgroundThere is a paucity of research on the effects of commonly used substances, such as cannabis and other drugs, on quality of life as a contributor to head and neck cancer (HNC) prognosis. We examined associations between non‐alcohol or tobacco substance use (cannabis and other illicit drug) and self‐reported quality of life in patients with HNC prior to starting treatment.MethodsThis was a cross‐sectional study of patients who presented for routine psych‐oncologevaluation prior to treatment between 11/2015 and 9/2022. Primary exposures were cannabis use (never, past, or current users) and current illicit drug use (yes/no). The primary outcome measure was the Functional Assessment of Cancer Therapy—Head and Neck (FACT‐HN) subscales (physical, social/family, functional and emotional). Linear regression models examined associations between pretreatment substance use and FACT‐HN subscales adjusting for demographic, socioeconomic, and clinical factors.ResultsOf 570 patients, 13.9% endorsed current cannabis and 13.9% current illicit drug use. The mean (SD) scores for FACT‐HN subscales were physical well‐being = 22.8 (5.0), social well‐being = 22.7 (5.5), emotional well‐being = 17.5 (4.5), and functional well‐being = 18.7 (6.9). In the adjusted models, cannabis use was not independently associated with any FACT‐HN subscales. However, patients who currently used illicit drugs reported worse emotional well‐being (β = −1.32; 95% CI −2.45 to −0.20). No independent association was found between current illicit drug use and other subscales (physical, social, and functional).ConclusionsIllicit drug use, but not cannabis use, is negatively associated with pretreatment emotional well‐being in patients with HNC. Further research exploring the relationships between longitudinal cannabis and illicit drug use and methods of consumption on QoL and cancer outcomes in patients with head and neck cancer is warranted.
Analysis of Candidate miRNAs' Expression in Pancreatic Cancer
Authors: Al‐Temaimi Rabeah , Abdulkarim Bicher , Al‐Ali Ali , John Bency , Mallik Mrinmay Kumar , Kapila Kusum 
Published: November 2024

ABSTRACTBackgroundPancreatic cancer (PC) is one of the most aggressive types of cancer. Despite advances in molecular diagnostics, PC diagnosis relies on imaging technologies and morphological assessment of fine needle aspirates (FNAs). MicroRNA (miRNA) involvement in PC pathogenesis and potential diagnostics application have been suggested, albeit current supporting evidence is lacking. Here, we investigated the association of selected miRNAs with PC incidence and clinical characteristics.MethodsFold expression of miR‐216a‐3p, ‐217‐5p, ‐221‐3p, ‐222‐3p, and miR‐196a‐5p was assessed in 73 PC FNA cell‐block sections and 6 healthy pancreas tissues using Taqman advanced miRNA assays. Potential miRNA targets were ascertained using immunocytochemistry.ResultsmiR‐196a‐5p was upregulated in PC compared to healthy pancreatic tissue (β = −0.05, 95% CI: −0.065 – (−0.035); p < 0.001). miR‐221‐3p and miR‐222‐3p fold expression were strongly correlated (r = 0.897, p < 0.001), whereas miR‐196a‐5p fold expression correlated with that of miR‐221‐3p (r = 0.688, p < 0.001) and miR‐222‐3p (r = 0.489, p < 0.001). Moreover, miR‐196a‐5p fold expression positively correlated with tumor stage (r = 0.32, p = 0.034). miR‐217‐5p fold expression inversely correlated with KRAS expression (r = ‐0.69, p = 0.0027).ConclusionOur study shows miR‐196a‐5p has reasonable specificity to PC and thus may have diagnostic and prognostic potential in PC as proposed in the literature. Moreover, KRAS and NFKBIA may be potential targets for miR‐217‐5p and miR‐196a‐5p, respectively. Thus, these miRNAs may be involved in tumor progression and may have valuable applications in novel therapeutics or treatment monitoring.
Methylene Blue Adsorption Using Boric Acid Functionalized Activated Carbon: Kinetics, Isothermal, and Thermodynamic Studies
Authors: Ullah Nasim , Ali Zarshad , Kamran Urooj , khan Amir Sada , Ansari Mushtaq Ahmad , Adalat Bushra , Nasrallah Asma 
Published: November 2024

AbstractIn this study, the activated carbon (AC) was prepared from Sesbania sesban plant stem. Boric acid (H3BO3) was used as an activating agent. During calcination, the optimized temperature was kept upto 500 °C for 2 h. The prepared adsorbents were characterized using various techniques such as FT‐IR, scanning electron microscopy, energy dispersive x‐ray spectroscopy, and thermogravimetric analyzer. The prepared adsorbents were used for the removal of methylene blue (MB) dye adsorption. The adsorption experiments were conducted at different pHs such as (2–11), doses (0.0025–0.020 mg), times (30–300 min), MB initial concentrations (100–600 mg L−1), and temperatures (298–318 K), respectively. The maximum MB uptake capacity of the prepared adsorbent was 1380 mg g−1 under optimized adsorption conditions. Furthermore, the kinetic study is well described by pseudo‐second order, whereas the isothermal study showed the Freundlich isotherm was better followed by the equilibrium data. Based on thermodynamic studies, the negative values of ΔG° and ΔH° revealed that the MB adsorption process is spontaneous and exothermic in nature. However, the negative ∆Sxg° value indicates that solid‐solute interaction decreased randomness in the adsorption systems. The overall studies of AC showed that it was better to remove MB from an aqueous solution.
Tailoring ORR Activity in Fe−N−C Catalysts through Phosphorus Incorporation
Authors: Xiang Tingting , Zhu Qingchao , Zhou Tanyu , Chen Chenglong , Wang Ruibo , Hu Tieyu , Li Bing , Xu Ziwei , Yang Juan 
Published: November 2024

AbstractAtomically dispersed iron and nitrogen co‐doped carbon materials (Fe−N−C) represent promising non‐precious metal catalysts for the oxygen reduction reaction (ORR), offering potential alternatives to noble metal‐based benchmarks. In our study, we investigated the influence of phosphorus doping on the catalytic activity of Fe−N−C. The experimental research demonstrate that the doping of phosphorus significantly enhances the ORR activity. Specifically, the resulting Fe‐NPC exhibits high metal loading and excellent ORR activity in 0.1 M KOH with an onset potential of 1.00 V and a half‐wave potential of 0.864 V. Density functional theory (DFT) simulations reveal that phosphorus improves the electrocatalytic activity by activating O2 molecules and reducing the energy barrier (the hydrogenation reaction *OH→H2O) of the rate‐determining step. Furthermore, Fe‐NPC exhibits promising application prospects as an air cathode in Zn‐air batteries, delivering a high maximum discharge power density of 180.3 mW cm−2 and outstanding discharge specific capacity (758.8 mAh g−1Zn) at a discharge current density of 10 mA cm−2.