bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optical and physical properties of zirconium dioxide reinforced poly(methyl methacrylate) nanocomposite films
Authors: James Jemy , Johnson Rosemary , Nair Anjali R. , Eapen Nitin George , Joseph Blessy , Vignaud Guillaume , Grohens Yves , Laroze David , Kabdrakhmanova Sana , Kalarikkal Nandakumar , Thomas Sabu 
Published: December 2023

AbstractThe objective of this study was to investigate the fundamental aspects of acrylic resin and zirconia nanoparticle interaction to analyze the optical properties and subsequent changes in refractive index with incremental loading of nanoparticles. Poly(methyl methacrylate) (PMMA) reinforced with zirconia nanoparticles were prepared by dip coating, spin coating and solvent casting techniques. An overall understanding of the polymer nanocomposite film has been achieved using the spectroscopic and morphological studies. The vital aspect of this whole study is to derive a simple yet an efficient nanocomposite film capable of imparting extraordinary optical properties. Within the limitations of this research a very crucial property of the material has been revealed. The RI as well as the optical transparency of the nanocomposite film has been steadily maintained with a significant increase of RI by the magnitude of 0.06 and ~100% light transmittance on incorporation of pure zirconia nanoparticles into PMMA matrix has been achieved. The best technique found was spin coating as it could yield thin films and better transparency and higher refractive index.
Combined use of drones and geophysics in enhancing cemetery studies: Two case studies in Northern Ireland, UK
Authors: Alastair Ruffell , Benjamin Rocke 
Published: December 2023

AbstractThe real‐time use of drone‐derived orthoimagery and ground‐penetrating radar (GPR) facilitate conjunctive ground surveying and aerial visual reference of subterranean features within cemeteries. Geospatially referenced visual outputs allow sympathetic restoration and assist in understanding historical use. Two contrasting case studies demonstrate this: The first is a subterranean wall, built to separate Catholic and Protestant burials in a civic cemetery. The second example is the accurate positioning of unmarked inhumations in an Irish Famine burial ground, which facilitated preservation as a memorial garden in a hospital complex.
Developing microRNAs as engineering tools to modulate monoclonal antibody galactosylation
Authors: Klingler Florian , Schlossbauer Patrick , Naumann Lukas , Handrick René , Hesse Friedemann , Neusüß Christian , Otte Kerstin 
Published: December 2023

AbstractN‐linked glycosylation is one of the most important post‐translational modifications of monoclonal antibodies (mAbs) and is considered to be a critical quality attribute (CQA), as the glycan composition often has immunomodulatory effects. Since terminal galactose residues of mAbs can affect antibody‐dependent cellular cytotoxicity (ADCC), complement‐dependent cytolysis (CDC) activation, serum half‐life, and antiviral activity it has to be monitored, controlled and modulated to ensure therapeutic effects. The ability of small noncoding microRNAs (miRNAs) to modulate glycosylation in Chinese hamster ovary (CHO) production cells was recently reported establishing miRNAs as engineering tools for modulation of protein glycosylation. In this study, we report the characterization and validation of miRNAs as engineering tools for increased (mmu‐miR‐452‐5p, mmu‐miR‐193b‐3p) or decreased (mmu‐miR‐7646‐5p, mmu‐miR‐7243‐3p, mmu‐miR‐1668, mmu‐let‐7c‐1‐3p, mmu‐miR‐7665‐3p, mmu‐miR‐6403) degree of galactosylation. Furthermore, the biological mode of action regulating gene expression of the galactosylation pathway was characterized as well as their influence on bioprocess‐related parameters. Most important, stable plasmid‐based overexpression of these miRNAs represents a versatile tool for engineering N‐linked galactosylation to achieve favorable phenotypes in cell lines for biopharmaceutical production.
Overexpression of endogenous multi‐copper oxidases mcoA and mcoC in Rhodococcus jostii RHA1 enhances lignin bioconversion to 2,4‐pyridine‐dicarboxylic acid
Authors: Rashid Goran M. M. , Sodré Victoria , Luo Jia , Bugg Timothy D. H. 
Published: December 2023

AbstractTo improve the titre of lignin‐derived pyridine‐dicarboxylic acid (PDCA) products in engineered Rhodococcus jostii RHA1 strains, plasmid‐based overexpression of seven endogenous and exogenous lignin‐degrading genes was tested. Overexpression of endogenous multi‐copper oxidases mcoA, mcoB, and mcoC was found to enhance 2,4‐PDCA production by 2.5‐, 1.4‐, and 3.5‐fold, respectively, while overexpression of dye‐decolorizing peroxidase dypB was found to enhance titre by 1.4‐fold, and overexpression of Streptomyces viridosporus laccase enhanced titre by 1.3‐fold. The genomic context of the R. jostii mcoA gene suggests involvement in 4‐hydroxybenzoate utilization, which was consistent with enhanced whole cell biotransformation of 4‐hydroxybenzoate by R. jostii pTipQC2‐mcoA. These data support the role of multi‐copper oxidases in bacterial lignin degradation, and provide an opportunity to enhance titres of lignin‐derived bioproducts.
Development and validation of a stability‐indicating ultra‐high‐performance liquid chromatography method for the estimation of ibrutinib and trace‐level quantification of related substances using quality‐by‐design approach
Authors: Prasad Shishir Kumar , Kalpana Divekar 
Published: December 2023

AbstractA new ultra‐high‐performance liquid chromatography method was developed using quality‐by‐design principles for quantifying trace‐level impurities of ibrutinib. The method utilized an ACQUITY UPLC BEH C18 column with a mobile phase consisting of equal parts of 0.02 M formic acid in water and 0.02 M formic acid in acetonitrile. The critical method parameters, including mobile phase pH, column temperature, and flow rate, were optimized using the design of experiments. Statistical analysis revealed the impact of these parameters on critical quality attributes. Perturbation and response surface plots illustrated the individual and interactive effects of the parameters. The optimal parameter levels were determined to be pH, 2.5; column temperature, 28°C; and flow rate, 0.55 mL/min. Confirmation experiments demonstrated the method's robustness, with the separation of impurities and unknown degradation products within a 5‐min runtime. The optimized ultra‐performance liquid chromatography method was validated according to ICH guidelines. The method exhibited linear response within the range of 0.025–100 μg/mL for ibrutinib and 0.0187–0.225 μg/mL for impurities (r2 > 0.9995), with limits of detection/limits of quantification of 0.01/0.025 and 0.015/0.0187 for ibrutinib and four impurities, respectively. Recoveries for the drug and impurities ranged from 92.69 to 102.7%, and precision was below 2% and 8% relative standard deviation for ibrutinib and impurities, respectively.
Fostering sustainable tourism in Pakistan: Exploring the influence of environmental leadership on employees' green behavior
Authors: Ashraf Sadia , Ali Sania Zaheer , Khan Tariq Iqbal , Azam Kamran , Afridi Sajjad Ahmad 
Published: December 2023

AbstractThis study addresses a critical gap in the theory by exploring the impact of Environmentally Specific Servant Leadership (ESSL) on Employees' Voluntary Green Behavior (EVGB) within the dynamic framework of Pakistan's tourism industry. It also advances understanding by investigating the pivotal mediating roles of Psychological Green Climate (PGC) and Green Commitment (GC) in the relationship between ESSL and EVGB. Drawing upon the principles of Self‐Determination Theory (SDT) and Social Identity theory (SIT) we designed the research framework and collected data from employees working in various firms in Pakistan's tourism sector. We employed a multistage (phase I‐convenience; phase II purposive) sampling technique to gather data from 492 employees representing various small and medium‐sized Hotels, Restaurants, and Catering firms within the hospitality and tourism sector. The collected data underwent validation and analysis using Confirmatory Factor Analysis (CFA) in SPSS AMOS and was further examined through the Andrew Hayes Process Macro model 4. The findings reveal a significant role of ESSL in fostering EVGB. Furthermore, our findings highlighted the significant mediating roles of PGC and GC in the relationship between ESSL‐EVGB. These findings underscore the potential effectiveness of promoting environmental sustainability as a means to encourage environmentally responsible behavior among individuals working in the tourism sector. The implications of our findings are particularly noteworthy for the tourism and hospitality sector. Companies in such industry can leverage ESSL as a valuable tool for inspiring green behavior in their staff, emphasizing both environmental responsibility and service to others as key drivers of environmentally friendly actions.
Revisiting the elaboration likelihood model in the context of a virtual influencer: A comparison between high‐ and low‐involvement products
Authors: Park Sungjun (Steven) , Wei Xiao , Lee Heejung 
Published: December 2023

AbstractWhile existing research on the elaboration likelihood model (ELM) has primarily focused on human influencers, the literature on virtual influencers (also known as digital humans or AI influencers) remains limited. To address this research gap, this study investigates the factors influencing consumer attitudes toward ads promoted by virtual influencers. Extending the ELM framework, we examine perceived expertise and attractiveness as antecedents, and explore consumer online‐to‐offline dynamics as consequences. Using a multigroup structural equation model, the study compares high‐ and low‐involvement product ads by analyzing questionnaires (n = 406). A novelty lies in our findings that, contrary to existing ELM research, perceived attractiveness significantly influences attitudes toward the ads across both high‐ and low‐involvement levels. We attribute this result to a shift of consumer attention towards virtual influencers, driven by their attention‐grabbing aesthetic appeals. Our study extends the ELM framework and contributes to the literature on digital marketing, advertising, and human‐computer interaction.
Exploring the Antiproliferative Potency of Pyrido[2,3‐d]Pyrimidine Derivatives: Studies on Design, Synthesis, Anticancer Evaluation, SAR, Docking, and DFT Calculations
Authors: Abd‐Alsalam Eman , Hafez Hend N. , Assay Mohamed G. , Ali Ali Khalil , El‐Farargy Ahmed F. , Abbass Eslam M. 
Published: December 2023

AbstractHerein, an efficient method for the synthesis of a new series of pyrido[2,3‐d]pyrimidine derivatives has been adopted through the reaction of hydrazinyl pyrido[2,3‐d] pyrimidine derivative (1) with different electrophilic species, such as ethyl cyanoacetate and different 1,3 diketone derivatives, gave the corresponding derivatives (2–5). Meanwhile, pyrido[2,3‐d][1,2,4]triazolo[4,3‐a]pyrimidines (6–11) were synthesized via reaction of hydrazine derivative 1 with phenylisothiocyanate, potassium thiocyanate, and carbon disulfide. Compound 1 was also submitted to react with different carbonyl compounds to afford pyrido‐pyrimidine derivatives (12–15). All the newly synthesized compounds were tested in vitro for their antiproliferative activities against HCT‐116 and MCF‐7 cell lines. Compounds 2, 3, 7, and 8 displayed very strong inhibitory activity against the two cell lines compared with the standard drug doxorubicin. Furthermore, a docking study of the most active compounds was performed with the thymidylate synthase enzyme (PDB: Code 6qxg). Moreover, DFT calculation was carried out for the most biologically active compounds and a reference drug (Doxorubicin) using the B3LYP/6‐31G+(d,p) level of theory. The calculated EHOMO and ELUMO energies were used to calculate the global reactivity parameters. Finally, Molecular electrostatic potential (MEP) and structure activity relationship (SAR) were studied to correlate the relation between chemical structure and reactivity.
Biotin‐Based Strategies to Explore the World of Ubiquitin and Ubiquitin‐Like Modifiers
Authors: Merino‐Cacho Laura , Barroso‐Gomila Orhi , Hernández‐Sánchez Sandra , Ramirez Juanma , Mayor Ugo , Sutherland James D. , Barrio Rosa 
Published: December 2023

AbstractA complex code of cellular signals is mediated by ubiquitin and ubiquitin‐like (Ub/UbL) modifications on substrate proteins. The so‐called Ubiquitin Code specifies protein fates, such as stability, subcellular localization, functional activation or suppression, and interactions. Hundreds of enzymes are involved in placing and removing Ub/UbL on thousands of substrates, while the consequences of modifications and the mechanisms of specificity are still poorly defined. Challenges include rapid and transient engagement of enzymes and Ub/UbL interactors, low stoichiometry of modified versus non‐modified cellular substrates, and protease‐mediated loss of Ub/UbL in lysates. To decipher this complexity and confront the challenges, many tools have been created to trap and identify substrates and interactors linked to Ub/UbL modification. This review focuses on an assortment of biotin‐based tools developed for this purpose (for example BioUbLs, UbL‐ID, BioE3, BioID), taking advantage of the strong affinity of biotin‐streptavidin and the stringent lysis/washing approach allowed by it, paired with sensitive mass‐spectrometry‐based proteomic methods. Knowing how substrates change during development and disease, the consequences of substrate modification, and matching substrates to particular UbL‐ligating enzymes will contribute new insights into how Ub/UbL signaling works and how it can be exploited for therapies.
The contributing factors to suicide in Italian prisons: An 11‐year analysis (2010–2020)
Authors: Bailo Paolo , Gibelli Filippo , Celletti Asaea , Caraffa Anna , Sirignano Ascanio , Ricci Giovanna 
Published: December 2023

AbstractBackgroundSuicide is a leading cause of death globally, with approximately 800,000 deaths annually and accounting for 1.5% of all deaths. Risk factors are multifaceted, encompassing individual factors (such as genetics, family history and mental illnesses) and environmental factors (such as economic conditions, social support and life events). In prisons, suicide rates are markedly higher than in the general population, particularly in Italy, where the prisoner suicide rate is approximately 20 times that of the non‐incarcerated population. There is, however, little research on suicide in Italian prisons.AimsTo analyse the characteristics of all people who died by suicide in Italian prisons between 2010 and 2020.MethodsWe carried out a records‐based cohort study analysing official data from the Italian Ministry of Justice on prison suicides between 2010 and 2020. The data were cross‐referenced and, when required, supplemented with information from Ristretti Orizzonti, a journal specialising in health and living conditions in prisons, as well as from the website of ISTAT (Italian National Statistical Institute), newspapers, radio broadcasts and news agencies.ResultsFactors associated with an increased risk of suicide in prisons were nighttime periods, the months of June, July and October, a relatively brief duration of detention (<6 months), having been convicted of murder, male gender, being about 40 years old, having access to hanging materials and being interned (i.e. subjected to the execution of custodial security measures) or awaiting trial. Prison overcrowding was not a risk factor for suicide.ConclusionOur findings hold substantial implications for suicide prevention in Italian prisons as they suggest both characteristics of individuals and characteristics of the institutions that could be taken as risk indicators. This knowledge can inform the development of targeted interventions to manage both individual and environmental factors better, leading to improved prison conditions and reduced suicide rates. Furthermore, our research establishes a foundation for more systematic and in‐depth investigations that could further improve suicide prevention strategies in Italian prisons, ultimately influencing policy changes in both practice and research, including perhaps establishing a national database on every completed suicide in prisons.
Bleeding and thrombotic risk of different antiplatelet regimens posttranscatheter edge‐to‐edge mitral valve repair in patients with an indication for oral anticoagulation: Results from an all‐comers national registry
Authors: Claeys Marc J. , Aminian Adel , Bartunek Jozef , Bennett Johan , Buysschaert Ian , Claeys Mathias , De Bock Dina , Delodder Lies , Debonnaire Philippe , Dewilde Willem , Ferdinande Bert , Geerinck Stéphanie , Goetschalckx Kaatje , Lambrechts Olivier , Lochy Stijn , Paelinck Bernard P. , Rosseel Liesbeth , Stroobants Didier , Vanderheyden Marc , Van der Heyden Jan , Verbrugghe Peter , Verheye Stefan , Dubois Christophe 
Published: December 2023

AbstractBackgroundEvidence‐based recommendations for antithrombotic treatment in patients who have an indication for oral anticoagulation (OAC) after transcatheter edge‐to‐edge mitral valve repair (TEER) are lacking.AimsTo compare bleeding and thrombotic risk for different antithrombotic regimens post‐TEER with MitraClip in an unselected population with the need for OACs.MethodsBleeding and thrombotic complications (stroke and myocardial infarction) up to 3 months after TEER with mitraclip were evaluated in 322 consecutive pts with an indication for OACs. These endpoints were defined by the Mitral Valve Academic Research Consortium criteria and were compared between two antithrombotic regimens: single antithrombotic therapy with OAC (single ATT) and double/triple ATT with a combination of OAC and aspirin and/or clopidogrel (combined ATT).ResultsCollectively, 108 (34%) patients received single ATT, 203 (63%) received double ATT and 11 (3%) received triple ATT. Bleeding events occurred in 67 patients (20.9%), with access site related events being the most frequent cause (37%). Bleeding complications were observed more frequently in the combined ATT group than in the single ATT group: 24% versus 14% [p = 0.03, adjusted RR: 0.55 (0.3–0.98)]. Within the combined group, the bleeding risk was 23% in the double ATT and 45% in the triple ATT group. Thrombotic complications occurred in only three patients (0.9%), and all belonged to the combined ATT group.ConclusionsIn patients with an indication for OACs, withholding of antiplatelet therapy post‐TEER with Mitraclip was associated with a 45% reduction in bleeding and without a signal of increased thrombotic risk.
Design and Synthesis of Heterogeneous Frustrated Lewis Pairs for Hydrogenation: From Molecular Immobilization to Defects Engineering
Authors: Chen Miaomiao , Wang Min , Ji Min 
Published: December 2023

AbstractThe concept of “Frustrated Lewis pairs” (FLPs), which emerged from the discovery that H2 can be reversibly activated by combinations of sterically encumbered Lewis acids and bases. Since then, the field of FLP chemistry has expanded enormously. One of the most remarkable achievements is the development of FLP catalysts for hydrogenation, which are environmentally friendly and have potential industrial application prospects. In recent years, this unique catalysis concept has pushed the study of FLP chemistry to a new direction: heterogeneous FLP catalysts. This review outlines the recent research progress of new strategies to design and synthesize heterogeneous FLPs for hydrogenation reaction, and prospects the development of novel heterogeneous FLP catalysts.
Effect of ore quality on non‐aqueous oil sand extraction performance
Authors: Tamayo Carolina , Baydak Elaine N. , Yarranton Harvey W. 
Published: December 2023

AbstractCurrent commercial aqueous based extraction processes are energy and greenhouse gas (GHG) intensive and require large tailings ponds. Non‐aqueous extraction (NAE) of bitumen from mineable oil sands is an alternative that eliminates tailings ponds with potentially lower energy requirements and GHG emissions. The economics of the NAE process depend partly on the impact of ore quality on bitumen recovery and product quality (low water and solids content). It has been claimed that NAE performance is insensitive to the quality (bitumen content) of the oil sand ores. However, the available data are ambiguous because different extraction methods and solvents were used in different studies and, in many cases, a limited range of ore qualities was examined. In this study, bitumen was extracted from eight ores of different quality with cyclohexane using a multistage method equivalent to a countercurrent process with a solvent/ore ratio of 0.67 w/w. The bitumen recovery and the water and solids content of the product bitumen were determined for each ore. It was found that bitumen recovery correlated negatively to clay content of the ore. The loss of recovery was attributed to bitumen adsorption on clays. The product quality was insensitive to the ore quality and instead depended on the density of the fluid medium, as expected with a centrifuge‐based separation method. The recovery and product quality from the NAE method were similar to those from aqueous extractions.
Polyaspers A and B, the First Ergosterol‐Polyether Adducts with Unprecedented 6/6/6/5/5/6/6/6/6 Nonacyclic Architecture from Aspergillus sp. TJ507
Authors: Hu Hong , Li Lanqin , Shi Zhengyi , Lan Xueqi , Zhang Yeting , Huang Xinye , Hao Xincai , Zhou Qun , Sun Weiguang , Qi Changxing , Zhang Yonghui 
Published: December 2023

Comprehensive SummaryPsoriasis is a chronic immune‐mediated inflammatory skin disease and the TNF‐α is an important therapeutic target of this disease. In our continuous study of bioactive natural products from fungi, the first ergosterol‐polyether adducts, polyaspers A (1) and B (2), along with two known ergosterols, (3β,5α,6α,22E)‐5,6‐epoxy‐3‐hydroxyergosta‐8,22‐dien‐7‐one (3) and calvasterol B (4), were isolated from Aspergillus sp. TJ507. Structure elucidation was accomplished by extensive spectroscopic analysis and single‐crystal X‐ray diffraction tests. Polyaspers A and B possessing an unequalled 6/6/6/5/5/6/6/6/6 nonacyclic system, and their biosynthetic pathways were proposed to include intermolecular cyclization and Diels‐Alder reactions. Activity screen of these isolates showed that 1—3 could improve the cell viability in an actinomycin D/TNF‐α induced L929 cells death model, with the EC50 values of 49.85, 46.75 and 4.99 μmol/L, respectively, and the activity of 3 was even comparable with that of the positive control SPD304. Further bioactive investigations discovered 3 could suppress the inflammatory response simulated with TNF‐α in HaCaT cells. In an imiquimod‐induced psoriasis murine model, 3 significantly restrained the development of psoriasis symptoms and reduced the expression of IL‐17 and IL‐23, presenting an anti‐psoriatic effect. As such, those ergosterol derivatives, might serve as lead compounds for the development of novel TNF‐α inhibitory agents in the clinical treatment of psoriasis.