bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimizing locally delivered periodontitis therapy: Development of chitosan‐hydroxyapatite‐encapsulated drug via electrospraying
Authors: Zhang Binpeng , Yan Shaofu , Zhang Yao , Wu Yunxia 
Published: September 2024

AbstractThis study presents the development of an optimized drug delivery system for periodontitis treatment utilizing chitosan‐hydroxyapatite nanoparticles. Employing the electrospraying technique, researchers encapsulated the antibiotic amoxicillin within chitosan‐hydroxyapatite composite matrices while varying the concentrations of chitosan and hydroxyapatite nanoparticles. The resulting microparticles displayed sizes ranging from 276 to 386 μm. Characterization of the produced drug encapsulations indicated that higher concentrations of chitosan and hydroxyapatite resulted in the formation of larger particles with rougher surfaces, increased mechanical strength, and enhanced thermal stability. Notably, nanoindentation analysis revealed an increase in hardness from 0.21 to 0.35 GPa, and in elastic modulus from 5.32 to 8.72 GPa with escalating chitosan and hydroxyapatite content, meeting or surpassing requirements for load‐bearing regenerative biomaterials. In vitro drug release assessments exhibited sustained amoxicillin release over 24 h, predominantly through diffusion and dissolution mechanisms. Formulations with lower polymer and mineral content showcased elevated release rates, with the F1 encapsulation (0.5% chitosan, 0.2% HAP) achieving a cumulative release of 78.3 ± 3.2% in contrast to 65.1 ± 2.7% for the F5 formulation (2.5% chitosan, 1% HAP). These encapsulations selectively modulated the overproduction of proinflammatory cytokines, including IL‐1β, IL‐6, and TNF‐α, in gingival fibroblasts and osteoblasts without compromising cell viability. An artificial neural network (ANN) model accurately forecasted the material properties and biological performance of the formulations based on their compositional variations, yielding correlation coefficients exceeding 0.97. This computational platform offers a virtual screening tool for refining regenerative and drug delivery therapies. The developed chitosan‐hydroxyapatite microparticulate system demonstrates promising potential for prolonged treatment of periodontitis through controlled antibiotic delivery, improved mechanical properties, and targeted regulation of the inflammatory response.
Effectiveness of JAK Inhibitors Compared With Biologic Disease‐Modifying Antirheumatic Drugs on Pain Reduction in Rheumatoid Arthritis: Results From a Nationwide Swedish Cohort Study
Authors: Eberhard Anna , Di Giuseppe Daniela , Askling Johan , Bergman Stefan , Bower Hannah , Chatzidionysiou Katerina , Forsblad‐d'Elia Helena , Kastbom Alf , Olofsson Tor , Frisell Thomas , Turesson Carl 
Published: September 2024

ObjectiveTo compare the effectiveness of JAK inhibitors (JAKis) and biologic disease‐modifying antirheumatic drugs (bDMARDs) on pain in patients with rheumatoid arthritis.MethodsIn this retrospective study, we investigated patients with a diagnosis of rheumatoid arthritis, starting treatment with a JAKi (n = 1,827), a tumor necrosis factor inhibitor (TNFi; n = 6,422), an interleukin‐6 inhibitor (n = 887), abatacept (n = 1,102), or rituximab (n = 1,149) in 2017 to 2019, using data from several linked Swedish national registers. Differences in change in pain, assessed with a visual analogue scale (0–100 mm), from baseline to 3 months, as well as proportions of patients remaining on initial treatment with low pain (visual analogue scale pain <20) at 12 months, were compared between treatments. Comparisons of treatment responses between JAKis and bDMARDs were evaluated using multivariable linear regression, adjusted for patient characteristics, comorbidities, current comedication, and previous treatment.ResultsJAKi treatment was associated with a greater decrease in pain at 3 months compared with TNFi treatment (adjusted mean additional decrease 4.0 mm; 95% confidence interval 1.6–6.3), with similar trends in comparisons with non‐TNFi bDMARDs. More patients achieved low pain at 12 months on JAKis compared with TNFis, in particular among those previously treated with at least two bDMARDs (adjusted change contrast 5.3 percentage points; 95% confidence interval 1.0–9.6).ConclusionJAKis had a slightly better effect on pain outcomes at 3 and 12 months compared with TNFis, with significantly greater differences in patients previously treated with at least two bDMARDs. The effect of JAKis on pain reduction was at least similar to that of non‐TNFi bDMARDs.
A shifting climate: New paradigms and challenges for (early career) scientists in extreme weather research
Authors: Kretschmer Marlene , Jézéquel Aglaé , Labe Zachary M. , Touma Danielle 
Published: September 2024

AbstractResearch on weather and climate extremes has become integral to climate science due to their increasing societal relevance and impacts in the context of anthropogenic climate change. In this perspective we examine recent changes and evolving paradigms in the study of extreme events, emphasizing the increasingly interdisciplinary nature of research and their societal implications. We discuss the importance of understanding the physical basis of extreme events and its linkages to climate impacts, highlighting the need for collaboration across multiple disciplines. Furthermore, we explore the challenge of big climate data analysis and the application of novel statistical methods, such as machine learning, in enhancing our understanding of extreme events. Additionally, we address the engagement with different stakeholder groups and the evolving landscape of climate services and private‐sector involvement. We conclude with reflections on the risks and opportunities for early career researchers in navigating these interdisciplinary and societal demands, stressing the importance of meaningful scientific engagement, and removing barriers to inclusivity and collaboration in climate research.
Short‐Term Tests, Long‐Term Predictions – Accelerating Ageing Characterisation of Lithium‐Ion Batteries
Authors: Paarmann Sabine , Schreiber Markus , Chahbaz Ahmed , Hildenbrand Felix , Stahl Gereon , Rogge Marcel , Dechent Philipp , Queisser Oliver , Frankl Sebastian Dominic , Morales Torricos Pablo , Lu Yao , Nikolov Nikolay I. , Kateri Maria , Sauer Dirk Uwe , Danzer Michael A. , Wetzel Thomas , Endisch Christian , Lienkamp Markus , Jossen Andreas , Lewerenz Meinert 
Published: September 2024

AbstractFor the battery industry, quick determination of the ageing behaviour of lithium‐ion batteries is important both for the evaluation of existing designs as well as for R&D on future technologies. However, the target battery lifetime is 8–10 years, which implies low ageing rates that lead to an unacceptably long ageing test duration under real operation conditions. Therefore, ageing characterisation tests need to be accelerated to obtain ageing patterns in a period ranging from a few weeks to a few months. Known strategies, such as increasing the severity of stress factors, for example, temperature, current, and taking measurements with particularly high precision, need care in application to achieve meaningful results. We observe that this challenge does not receive enough attention in typical ageing studies. Therefore, this review introduces the definition and challenge of accelerated ageing along existing methods to accelerate the characterisation of battery ageing and lifetime modelling. We systematically discuss approaches along the existing literature. In this context, several test conditions and feasible acceleration strategies are highlighted, and the underlying modelling and statistical perspective is provided. This makes the review valuable for all who set up ageing tests, interpret ageing data, or rely on ageing data to predict battery lifetime.
Product portfolio decarbonization: Deleting hot products for a cooler supply chain
Authors: Bai Chunguang , Ma Xiaoyu , Zhu Qingyun 
Published: September 2024

AbstractModern economic development emphasizes the reduction of carbon emissions. In rationalizing product portfolios, organizations must prioritize low‐carbon development by selecting products with minimal emissions. Eliminating high‐emission items can create opportunities for new low‐carbon products, thereby enhancing competitiveness. In this study, we propose a hybrid mixed method that integrates text mining and multi‐objective optimization algorithms, utilizing a broad range of quantitative and qualitative data sources, including online consumer reviews. We apply this method to a real case in the Chinese air‐conditioning industry for practical validation. The results indicate that for comprehensive product portfolio decarbonization, organizations should consider deleting high‐performing products (e.g., those with strong sales and market performance) to achieve full decarbonization across the entire supply chain. This approach offers valuable insights for managers aiming to simultaneously improve economic and environmental performance.
Data‐driven control and a prey–predator model for sourcing decisions in the low‐carbon intertwined supply chain
Authors: El Harraki Imad , Abedin Mohammad Zoynul , Belhadi Amine , Kamble Sachin , Zkik Karim , Oudani Mustapha 
Published: September 2024

AbstractThis paper addresses the challenges of low‐carbon sourcing in intertwined supply chains by proposing a data‐driven control framework and a prey–predator model for sourcing decisions. The objective is to optimize low‐carbon objectives and reduce environmental impact. Existing static models fail to capture the dynamic nature of supply chain systems and overlook the ripple effects when sourcing decisions propagate throughout the interconnected network. To bridge this gap, our study develops a dynamic model that explicitly captures the bullwhip effect and leverages real‐time and historical data. This model conceptualizes suppliers as prey and manufacturers and consumers as predators, employing an ecological analogy to decipher the intricate interactions and dependencies within the supply chain. Through this approach, we identify strategies to promote sustainable practices and motivate suppliers to adopt low‐carbon measures. We assess two data‐driven algorithms, the nonlinear auto‐regressive exogenous (NARX) network and sparse identification of nonlinear dynamic systems with input variables (SINDYc). The results reveal that SINDYc outperforms prediction accuracy and control, offering significant advantages for rapid decision‐making. The study highlights how shifts in market demands and regulatory pressures critically influence the strategies of chemical firms and fertilizer markets. Moreover, it discusses the economic challenges in transitioning from high carbon footprint suppliers (HCFSs) to low carbon footprint suppliers (LCFSs), exacerbated by a notable cost disparity where HCFSs are approximately 30% cheaper. By advancing beyond conventional static models, this research provides a deeper understanding of the environmental impacts and operational dynamics within supply chains, emphasizing the significant “ripple effect” where decisions at one node profoundly affect others within the chain.
Ameliorative Potential of Sudachitin Against Paraquat Induced Renal Toxicity in Rats Via Regulating Nrf2/Keap1 Pathway: An Inflammatory, Apoptotic and Histopathological Assessment
Authors: Faisal Hayat Muhammad , Bibi Marrium , Batool Moazama , Eman Rimsha , Hamdi Hamida , Umar Ijaz Muhammad 
Published: September 2024

AbstractParaquat (PQ) is a noxious herbicide which is well known for its adverse effects on vital organs including kidneys. Sudachitin (SCN) is a plant derived flavone that is obtained from Citrus sudachi and demonstrates a range of pharmacological potentials. This investigation was executed to assess the protective effects of SCN to counteract PQ instigated renal damage in albino rats (Rattus norvegicus). Twenty‐four rats were apportioned in 4 different groups i. e., control group, PQ (5 mg/kg) intoxicated group, PQ (5 mg/kg)+SCN (20 mg/kg) cotreated group and SCN (20 mg/kg) only administrated group. Our findings revealed that exposure to PQ reduced the expressions of Nrf2 (nuclear factor erythroid 2–related factor 2) and its cytoprotective genes while escalating the expression of keap1. Furthermore, PQ intoxication reduced the activities of superoxide dismutase (SOD), catalase (CAT), glutathione reductase (GSR), heme‐oxygenase‐1 (HO‐1) and glutathione (GSH) contents while increasing the levels of malondialdehyde (MDA) and reactive oxygen species (ROS). Moreover, PQ exposure significantly increased the levels of neutrophil gelatinous‐associated lipocalin (NGAL), urea, kidney injury molecule‐1(KIM‐1) as well as creatine while reducing creatine clearance. Additionally, PQ upregulated the levels of inflammatory markers including interleukin‐6 (IL‐6), tumor necrosis‐ α (TNF‐ α), nuclear factor‐ κB (NF‐κB), interleukin 1beta (IL‐1β), and cyclo‐oxygenase‐2 (COX‐2). Moreover, PQ administration upregulated the expression of Bax (Bcl‐2–associated X protein) and (cysteine–aspartic acid protease) Caspase‐3 while downregulating the expressions of (B‐cell lymphoma 2 protein) Bcl‐2. Besides, PQ exposure prompted various histopathological damages in renal tissues. Nonetheless, SCN substantially restored aforementioned alterations in the renal tissues owing to its anti‐oxidative, anti‐inflammatory and anti‐apoptotic potential.
Chemical and Biological Prospection of Marine Sponges Belonging to the Class Demospongiae: A Review
Authors: de Oliveira Souza Geane Gabriele , Gonçalves Castro José Walber , Nascimento Lariza Leisla Leandro , Pereira da Silva Mariana , Ferreira Viturino José Jonas , Inácio da Silva Maria , do Nascimento Joice Barbosa , Janaine Camilo Cicera , Martins da Costa José Galberto 
Published: September 2024

AbstractMarine sponges belonging to the class Demospongiae have shown to be promising sources of bioactive compounds. This review aimed to compile studies on the biological activities and chemical components of sponge species from this class, highlighting the structure/activity relationship. Data collection was conducted using the Science Direct, PubMed, Scielo, Web of Science and Google Scholar databases, employing the following descriptors: antimicrobial marine sponges, antioxidant marine sponges, and biological activity of marine sponges. The inclusion criteria were: (1) publications from the year 2022 onwards; (2) written in English or Portuguese; and (3) that evaluated biological activities. Exclusion criteria included: (1) duplicate studies; (2) studies that were not within the scope; and (3) studies that did not evaluate biological activities. As a result of this survey, it was possible to isolate and identify 262 compounds from different metabolic classes, with terpenes, lipids, and alkaloids being highlighted. The extracts, fractions, and isolates were investigated for their antioxidant, antimicrobial, anti‐inflammatory, and cytotoxic properties. The sponges demonstrated broad‐spectrum antimicrobial potential and cytotoxic potential against various cancer cell lines. Based on data analysis, it is concluded that the studied compounds show promise for the development of drugs for microorganism control and cancer treatment, acting through different mechanisms of action.
Amyloid‐like Aggregation Propensities of Metabolites‐ Homogentisic Acid, N‐Acetyl Aspartic Acid and Isovaleric Acid
Authors: Dave Raj , Jaiswal Ankita , Naseer Anam , Tripathi Ankita , Patel Monisha , Revi Neeraja , Rengan Aravind Kumar , Dutta Dubey Kshatresh , Nazir Aamir , Verma Sandeep , Gour Nidhi 
Published: September 2024

AbstractThe transformation of metabolites into amyloidogenic aggregates represent an intriguing dimension in the pathophysiology of metabolic disorders, including alkaptonuria, canavan disease, and isovaleric acidemia. Central to this phenomenon are the metabolites homogentisic acid (HA), N‐acetyl aspartic acid (NAA), and isovaleric acid (IVA), which we found, weave an intricate network of self‐assembled structures. Leveraging an array of microscopy techniques, we traced the morphological behavior of these assemblies that exhibit concentration and time‐dependent morphological transitions from isolated globules to clustered aggregates. MD simulation studies suggest significant role of hydrogen bonding interactions in the aggregation process. While displaying strong amyloidogenic propensity in solution, these aged aggregates were significantly cytotoxic to mouse neural N2a cell lines. In vivo effect in Caenorhabditis elegans (C. elegans) nematode further validated cytotoxicity of aggregates. Our findings provide fresh insights to amyloidogenic nature of HA, NAA, and IVA aggregates and their possible role in associated metabolic disorders such as alkaptonuria, canavan disease and isovaleric acidemia.
Ene‐Reductase‐Catalyzed Oxidation Reactions
Authors: van Hengst Jacob M.A. , Wolder Allison E. , Sánchez Marisa , Huijbers Mieke M. E. , Opperman Diederik J. , Gilles Pierre , Martin Juliette , Hilberath Thomas , Hollmann Frank , Paul Caroline E. 
Published: September 2024

AbstractEne‐reductases from the old yellow enzyme (OYE) family have been traditionally employed in the reduction of conjugated C═C double bonds. This study explores the underutilized oxidative potential of OYEs, demonstrating their capability to catalyze the enantioselective desaturation of carbonyl compounds. Utilizing a deprotonated tyrosine residue as a catalytic base, we developed a method to enable OYE‐catalyzed desaturation at ambient temperature and alkaline pH without the need for high‐temperature conditions. Through screening of various OYE enzymes, we identified several candidates from different genera with enhanced desaturase activity across different substrates. This work broadens the scope of biocatalytic applications for OYEs, introducing a novel approach to the synthesis of chiral α,β‐unsaturated carbonyl compounds.
Infusing antiracism into counselor education: A model for CACREP Programs
Authors: Jangha Awa G. , Reyna Maria , David Gena St. , Ramirez Stephanie , Johnson Marlon , Barcenas Gustavo 
Published: September 2024

AbstractAlthough research applying antiracist frameworks to a variety of disciplines has multiplied, best practices for the application of antiracist principles to counselor education have yet to be established. This article outlines one program's steps to dismantle racism throughout curriculum and andragogy. Outcomes and lessons learned are offered as recommendations for programs seeking to infuse antiracism throughout counselor training.
Toward machine learning based decision support for pre‐grouting in hard rock
Authors: Rongved Ida , Hansen Tom F. , Erharter Georg H. 
Published: September 2024

AbstractPre‐grouting in hard rock tunneling is crucial for mitigating water ingress, significantly affecting project time and cost. Predicting pre‐grouting requirements is challenging and relies heavily on the expertise of on‐site personnel for decision‐making. This paper explores using supervised machine learning (ML) to create a data‐driven pre‐grouting decision process, aiming to predict “grouting time” and “total grout take.” Tree‐based regression models were developed using data from a Norwegian railway project, including typical tunneling data. These models showed limited predictive performance, with R2 scores of 0.40, though a significant relationship was observed. The limited performance highlights the need to identify parameters that significantly impact grouting outcomes rather than indicating the unsuitability of tree‐based models. Future research should consider a larger data set and additional parameters, such as more data on rock mass quality, hydrogeological conditions ahead of the face, and human, organizational, and contractual factors. Despite initial findings, supervised ML shows promise in enhancing data‐driven decision‐making in pre‐grouting by using appropriate input features and target variables.
We are MedChem: The Frontiers in Medicinal Chemistry 2024
Authors: Schiedel Matthias , Barbie Philipp , Pape Felix , Pinto Marta , Unzue Lopez Andrea , Méndez María , Hessler Gerhard , Merk Daniel , Gehringer Matthias , Lamers Christina 
Published: September 2024

AbstractThe Frontiers in Medicinal Chemistry (FiMC) is the largest international Medicinal Chemistry conference in Germany and took place from March 17th to 20th 2024 in Munich. Co‐organized by the Division of Medicinal Chemistry of the German Chemical Society (Gesellschaft Deutscher Chemiker; GDCh) and the Division of Pharmaceutical and Medicinal Chemistry of the German Pharmaceutical Society (Deutsche Pharmazeutische Gesellschaft; DPhG), and supported by a local organizing committee from the Ludwigs‐Maximilians‐University Munich headed by Daniel Merk, the meeting brought together approximately 225 participants from 20 countries. The outstanding program of the four‐day conference included 40 lectures by leading scientists from industry and academia as well as early career investigators. Moreover, 100 posters were presented in two highly interactive poster sessions.
Cardiovascular disease and stroke following cancer and cancer treatment in older adults
Authors: Muhandiramge Jaidyn , Zalcberg John R. , Warner Erica T. , Polekhina Galina , Gibbs Peter , van Londen G. J. , Bernstein Wendy B. , Macrae Finlay , Haydon Andrew , Tie Jeanne , Millar Jeremy L. , Mar Victoria J. , Gately Lucy , Tonkin Andrew , Ford Leslie , Umar Asad , Chan Andrew T. , Woods Robyn L. , Orchard Suzanne G. 
Published: September 2024

AbstractBackgroundCancer survivors can be at risk of cardiovascular disease (CVD) because of either their malignancy or its treatment. Although studies linking cancer and CVD exist, few examine risk in older adults, the impact of cancer treatment, or the effect of aspirin on reducing risk in this cohort.MethodsThe authors conducted a secondary analysis of the Aspirin in Reducing Events in the Elderly (ASPREE) trial to investigate the impact of cancer and cancer treatment on a composite CVD end point comprising hospitalization for heart failure (HHF), myocardial infarction (MI), and stroke.ResultsOf 15,454 Australian and US ASPREE participants, 1392 had an incident cancer diagnosis. Rates of CVD were greater in the cancer risk‐set compared to the cancer‐free risk‐set (20.8 vs. 10.3 events per 1000 person‐years; incidence rate ratio, 2.03; 95% confidence interval, 1.51–2.66), with increased incidence seen across MI, HHF, overall stroke, and ischemic stroke. Increased incidence remained after adjustment for clinically significant risk factors for CVD. Incidence was greatest in metastatic, hematological, and lung cancer. Chemotherapy was associated with increased risk of CVD. Similar rates of CVD were seen across aspirin and placebo groups.ConclusionsIncidence of CVD, including MI, HHF, and ischemic stroke, was increased in older adults with cancer. Aspirin did not impact CVD incidence. Risk may be higher in those with metastatic, hematological, and lung cancer, and following chemotherapy.