bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lorenz Fries on the defense of Avicenna, the prince of physicians: Addressed to the medics of Germany (1530)
Authors: Shoja Mohammadali M. , Tritsch Tara , Tubbs R. Shane 
Published: April 2024

AbstractDuring the 14th century CE, a pivotal shift took place in the world of medicine as its epicenter transitioned from the Middle East to Europe. The emergence of the European Renaissance sparked skepticism regarding the significance of Avicenna's contributions to the advancement of medicine. This paper explores how the rise of secularization and the Renaissance in Europe marked significant cultural transformations, fostering the spread of literacy. These societal shifts influenced the trajectory of medical thought, and Avicenna's “Canon of Medicine” received both praise and condemnation amidst the evolving intellectual landscape. In this context, Lorenz Fries composed his “Defense of Avicenna,” a testament to his profound admiration for Avicenna's legacy. This paper presents an English translation of Fries' 1530 work, and introduces Fries and Avicenna's “Canon,” contextualizing Fries' defense within the broader rejection of Arab‐language medical texts in the 16th century. It also explores Avicenna's influence on European medicine and anatomy during the Renaissance and highlights the enduring relevance of his contributions to the annals of science. Fries' defense underscores Avicenna's methodological acumen and emphasizes the importance of a robust theoretical foundation in medical practice. Avicenna's integration of Aristotelianism with Platonism highlighted the necessity of a rigorous method informed by theory in medical analysis. Fries' defense remains relevant today, particularly in advocating for systematic medical analysis against subjective approaches. Avicenna's medical philosophy seems nested within a larger, hopeful attempt to resolve the tensions between science or naturalism and religion or spiritualism. The rejection of Avicenna reflects broader conflicts between Aristotelian and Neoplatonic traditions, suggesting a complex interplay of secularization and theological influences in shaping medical thought during the Renaissance.
Understanding the financial cost of cancer clinical trial participation
Authors: Williams Courtney P. , Deng Luqin , Caston Nicole E. , Gallagher Kathleen , Angove Rebekah , Pisu Maria , Azuero Andres , Arend Rebecca , Rocque Gabrielle B. 
Published: April 2024

AbstractBackgroundThough financial hardship is a well‐documented adverse effect of standard‐of‐care cancer treatment, little is known about out‐of‐pocket costs and their impact on patients participating in cancer clinical trials. This study explored the financial effects of cancer clinical trial participation.MethodsThis cross‐sectional analysis used survey data collected in December 2022 and May 2023 from individuals with cancer previously served by Patient Advocate Foundation, a nonprofit organization providing social needs navigation and financial assistance to US adults with a chronic illness. Surveys included questions on cancer clinical trial participation, trial‐related financial hardship, and sociodemographic data. Descriptive and bivariate analyses were conducted using Cramer's V to estimate the in‐sample magnitude of association. Associations between trial‐related financial hardship and sociodemographics were estimated using adjusted relative risks (aRR) and corresponding 95% confidence intervals (CI) from modified Poisson regression models with robust standard errors.ResultsOf 650 survey respondents, 18% (N = 118) reported ever participating in a cancer clinical trial. Of those, 47% (n = 55) reported financial hardship as a result of their trial participation. Respondents reporting trial‐related financial hardship were more often unemployed or disabled (58% vs. 43%; V = 0.15), Medicare enrolled (53% vs. 40%; V = 0.15), and traveled >1 h to their cancer provider (45% vs. 17%; V = 0.33) compared to respondents reporting no hardship. Respondents who experienced trial‐related financial hardship most often reported expenses from travel (reported by 71% of respondents), medical bills (58%), dining out (40%), or housing needs (40%). Modeling results indicated that respondents traveling >1 h vs. ≤30 min to their cancer provider had a 2.2× higher risk of financial hardship, even after adjusting for respondent race, income, employment, and insurance status (aRR = 2.2, 95% CI 1.3–3.8). Most respondents (53%) reported needing $200–$1000 per month to compensate for trial‐related expenses. Over half (51%) of respondents reported less willingness to participate in future clinical trials due to incurred financial hardship. Notably, of patients who did not participate in a cancer clinical trial (n = 532), 13% declined participation due to cost.ConclusionCancer clinical trial‐related financial hardship, most often stemming from travel expenses, affected almost half of trial‐enrolled patients. Interventions are needed to reduce adverse financial participation effects and potentially improve cancer clinical trial participation.
Further Polycyclic Quinones of Micromonospora sp
Authors: Silva de Freitas Cesário Hozana Patricia , das Chagas Lima Pinto Francisco , Marques Canuto Kirley , Rocha Silveira Ediberto , Veras Wilke Diego , Gois Ferreira Elthon , Marques da Fonseca Aluísio , Alves de Vasconcelos Mayron , Teixeira Edson Holanda , Deusdênia Loiola Pessoa Otilia 
Published: April 2024

AbstractThe crude acetone extract of a marine Micromonospora sp. strain associated with Eudistoma vannnamei was fractioned with hexane and ethyl acetate. The crude extract and both soluble fractions were assayed against several bacteria strains. The new polycyclic quinones 12‐hydroxy‐9‐propyltetracene‐6,1‐dione (1), 5,12‐dihydroxy‐4‐methoxy‐9‐propyltetracene‐5,12‐dione (2), and 4,6‐dihydroxy‐3‐methoxycarbonyl‐ methyl‐6a‐(oxobutyl)‐5,12‐anthraquinone (3), along with the known 4,6‐dihydroxy‐3‐methoxycarbonyl‐methyl‐6a‐(oxo‐3‐methyl‐butyl)‐5,12‐anthraquinone (4) and 4,6‐dihydroxy‐3‐methoxycarbonyl‐methyl‐6a‐(oxopentyl)‐5,12‐anthraquinone (5) were isolated from the hexane‐soluble fraction, while from the active ethyl acetate fraction were isolated the known 4,6,11‐trihydroxy‐9‐propyltetracene‐5,12‐dione (6), 4‐methoxy‐9‐propyltetracene‐6,11‐dione (7), 7,8,9,10‐tetrahydro‐9‐hydroxy‐4‐methoxy‐9‐propyltetracene‐6,11‐dione (8), and 10β‐carbomethoxy‐7,8,9,10‐tetrahydro‐4,6,7α,9α,11‐pentahydroxy‐9‐propyltetracene‐5,12‐dione (9). The structures of the new compounds were established by interpretation of HRMS and NMR techniques. A study of molecular docking was performed with the compounds from the active ethyl acetate fraction to correlate tentatively with the antimicrobial activity. Molecular docking, RMSD, RMSF, and MM‐GBSA evaluations were performed to investigate the inhibitory activity of 6–8 against the protein PDB‐codex 1MWT, being considered a promising target for studying drug development responsible for inhibiting replication of Staphylococcus aureus. Penicillin G was used as the standard inhibitory. Anthracyclinones 6–8 were the best hydrolase inhibitor with affinity energy −8.1 to −7.9 kcal/mol compared to penicillin G, which presented −6.9 kcal/mol. Both 8 and 7 present potent inhibitory effects against hydrolase through molecular dynamics simulation and exhibit favorable drug‐like properties, promising new hydrolase blockers to fight bacterial infections from Staphylococcus aureus.
Design, Synthesis and Catalytic Activity of Protein Containing Thiotyrosine as an Active Site Residue
Authors: Bachelart Thomas , Kumar Shailesh , Jouin Alexis , Yousef Mo'ath , Kieffer Bruno , Torbeev Vladimir 
Published: April 2024

AbstractNative chemical ligation is a key reaction in the toolbox of chemical methods for the synthesis of native and modified proteins. The catalysis of ligation is commonly performed by using small aryl‐thiol molecules added at high concentrations. In this work, we incorporated thiotyrosine, a non‐canonical amino acid containing an aryl‐thiol moiety, into a designed cyclic protein « sans queue ni tête ». Importantly, the protein environment reduced the pKa of the thiol group to 5.8–5.9, which is significantly lower than the previously reported value for thiotyrosine in a short peptide (pKa 6.4). Furthermore, we demonstrated the catalytic activity of this protein both as hydrolase and in native chemical ligation of peptides. These results will be useful for the development of efficient protein catalysts (enzymes) for protein synthesis and modification.
Denosumab‐induced autoimmune hepatitis: Case report
Authors: Alotaibi Jawaher J. , Albuqami Bushra , Alotaibi Wadha , Al Ghamdi Rawan M. , Alaskar Mohammed , Kuriry Hadi , Almasri Nasser 
Published: April 2024

AbstractThis report described a patient not known to have a hepatic disease, found to have a drug‐induced autoimmune hepatitis from denosumab. This is an unreported side effect, and here, we presented the possible predisposing factors and suggested monitoring parameters.
Tailored Two‐Dimensional Transition Metal Dichalcogenides for Water Electrolysis: Doping, Defect, Phase, and Heterostructure
Authors: Lim Ji Hyeon , Kim Kyeonghan , Kang Jong Hun , Kwon Ki Chang , Jang Ho Won 
Published: April 2024

AbstractThe demand for hydrogen production technology to replace fossil fuels and address the global climate crisis has become one of the most urgent tasks in the modern era. Among the promising breakthroughs, electrochemical water splitting using renewable energy sources offers a path to green hydrogen production that is both feasible and economically viable. However, the current state‐of‐the‐art catalysts for the water‐splitting reaction predominantly rely on scarce and costly noble metals, posing a significant challenge to the mass production of green hydrogen. In this context, two‐dimensional transition metal dichalcogenides (2D TMDs) have emerged as compelling candidates to replace noble metals, owing to their impressive reactivity and cost‐effectiveness. These TMD‐based electrocatalysts demonstrate exceptional reactivity at their active edge sites, while the basal planes remain catalytically inert. Several tailored strategies can activate these basal planes by modifying the chemical bonding nature and electronic band structure of the constituent atoms, thus enhancing the overall reactivity of TMDs. This review summarizes recent advancements in the modulation methodologies of 2D TMDs to enhance their water‐splitting reactivity. We highlight various chemical modification strategies, including heteroatom doping, defect‐engineering, and heterostructure formation, and provide insights into future research directions for the development of advanced 2D TMD‐based water‐splitting catalysts.
Cathode nanoarchitectonics with Na3VFe0.5Ti0.5(PO4)3: Overcoming the energy barriers of multielectron reactions for sodium‐ion batteries
Authors: Soundharrajan Vaiyapuri , Kim Sungjin , Nithiananth Subramanian , Alfaruqi Muhammad H. , Piao JunJi , Pham Duong Tung , Mathew Vinod , Han Sang A. , Kim Jung Ho , Kim Jaekook 
Published: April 2024

AbstractHigh electrochemical stability and safety make Na+ superionic conductor (NASICON)‐class cathodes highly desirable for Na‐ion batteries (SIBs). However, their practical capacity is limited, leading to low specific energy. Furthermore, the low electrical conductivity combined with a decline in capacity upon prolonged cycling (>1000 cycles) related to the loss of active material‐carbon conducting contact regions contributes to moderate rate performance and cycling stability. The need for high specific energy cathodes that meet practical electrochemical requirements has prompted a search for new materials. Herein, we introduce a new carbon‐coated Na3VFe0.5Ti0.5(PO4)3 (NVFTP/C) material as a promising candidate in the NASICON family of cathodes for SIBs. With a high specific energy of ∼457 Wh kg−1 and a high Na+ insertion voltage of 3.0 V versus Na+/Na, this cathode can undergo a reversible single‐phase solid‐solution and two‐phase (de)sodiation evolution at 28 C (1 C = 174.7 mAh g−1) for up to 10,000 cycles. This study highlights the potential of utilizing low‐cost and highly efficient cathodes made from Earth‐abundant and harmless materials (Fe and Ti) with enriched Na+‐storage properties in practical SIBs.
Current Developments in Emerging Lanthanide‐Doped Persistent Luminescent Scintillators and Their Applications
Authors: Ye Huiru , Li Yantao , Chen Xukai , Du Weidong , Song Longfei , Chen Yu , Zhan Qiuqiang , Wei Wei 
Published: April 2024

AbstractLanthanide‐doped scintillators have the ability to convert the absorbed X‐ray irradiation into ultraviolet (UV), visible (Vis), or near‐infrared (NIR) light. Lanthanide‐doped scintillators with excellent persistent luminescence (PersL) are emerging as a new class of PersL materials recently. They have attracted great attention due to their unique “self‐luminescence” characteristic and potential applications. In this review, we comb through and focus on current developments of lanthanide‐doped persistent luminescent scintillators (PersLSs), including their PersL mechanism, synthetic methods, tuning of PersL properties (e. g. emission wavelength, intensity, and duration time), as well as their promising applications (e. g. information storage, encryption, anti‐counterfeiting, bio‐imaging, and photodynamic therapy). We hope this review will provide valuable guidance for the future development of PersLSs.
Fagopyrins from Buckwheat Flowers: Structural and Stereochemical Characterization Through Combined NMR/CD Spectroscopy and Theoretical Calculations
Authors: Galbusera Valerio , Lattuada Benedetta , Pinto Andrea , Barbiroli Alberto , Borgonovo Gigliola , Ragg Enzio M. 
Published: April 2024

AbstractFagopyrins are phenantroperylenequinones present in the flowers of Fagopyrum esculentum (buckwheat) endowed with photodynamic activity. It has been reported that fagopyrin extracts actually contain a complex mixture of closely related compounds, differing only on the nature of the perylenequinone substituents. We report our systematic and detailed study on the chemical composition of fagopyrin extracts by a combination of preparative and analytical techniques. The combined use of 1H‐NMR and CD spectroscopy was found to be particularly suited to fully characterize all stereochemical aspects of the extracted fagopyrins. For the first time nine isomers have been structurally characterized and their stereochemistry fully elucidated. The presence of two different heterocyclic ring substituents, two stereogenic centers and the inherent axial chirality of the aromatic system provides a complex stereochemical relationships among isomers, thus giving account of the high level of molecular multiplicity found in the extract.
Pyrene Functionalized Norbornadiene‐Quadricyclane Fluorescent Photoswitches: Characterization of their Spectral Properties and Application in Imaging of Amyloid Beta Plaques
Authors: Ghasemi Shima , Shamsabadi Monika , Olesund Axel , Najera Francisco , Erbs Hillers‐Bendtsen Andreas , Edhborg Fredrik , Aslam Adil S. , Larsson Wera , Wang Zhihang , Amombo Noa Francoise M. , Salthouse Rebecca Jane , Öhrström Lars , Hölzel Helen , Perez‐Inestrosa E. , Mikkelsen Kurt V. , Hanrieder Jörg , Albinsson Bo , Dreos Ambra , Moth‐Poulsen Kasper 
Published: April 2024

AbstractThis study presents the synthesis and characterization of two fluorescent norbornadiene (NBD) photoswitches, each incorporating two conjugated pyrene units. Expanding on the limited repertoire of reported photoswitchable fluorescent NBDs, we explore their properties with a focus on applications in bioimaging of amyloid beta (Aβ) plaques. While the fluorescence emission of the NBD decreases upon photoisomerization, aligning with what has been previously reported, for the first time we observed luminescence after irradiation of the quadricyclane (QC) isomer. We deduce how the observed emission is induced by photoisomerization to the excited state of the parent isomer (NBD) which is then the emitting species. Thorough characterizations including NMR, UV‐Vis, fluorescence, X‐ray structural analysis and density functional theory (DFT) calculations provide a comprehensive understanding of these systems. Notably, one NBD‐QC system exhibits exceptional durability. Additionally, these molecules serve as effective fluorescent stains targeting Aβ plaques in situ, with observed NBD/QC switching within the plaques. Molecular docking simulations explore NBD interactions with amyloid, unveiling novel binding modes. These insights mark a crucial advancement in the comprehension and design of future photochromic NBDs for bioimaging applications and beyond, emphasizing their potential in studying and addressing protein aggregates.
Ion Mobility Mass Spectrometry‐Based Disaccharide Analysis of Glycosaminoglycans
Authors: Polewski Lukasz , Moon Eunjin , Zappe Andreas , Götze Michael , Szekeres Gergo Peter , Roth Christian , Pagel Kevin 
Published: April 2024

AbstractGlycosaminoglycans (GAGs) are linear and acidic polysaccharides. They are ubiquitous molecules, which are involved in a wide range of biological processes. Despite being structurally simple at first glance, with a repeating backbone of alternating hexuronic acid and hexosamine dimers, GAGs display a highly complex structure, which predominantly results from their heterogeneous sulfation patterns. The commonly applied method for compositional analysis of all GAGs is “disaccharide analysis.” In this process, GAGs are enzymatically depolymerized into disaccharides, derivatized with a fluorescent label, and then analysed through liquid chromatography. The limiting factor in the high throughput analysis of GAG disaccharides is the time‐consuming liquid chromatography. To address this limitation, we here utilized trapped ion mobility‐mass spectrometry (TIM‐MS) for the separation of isomeric GAG disaccharides, which reduces the measurement time from hours to a few minutes. A full set of disaccharides comprises twelve structures, with eight possessing isomers. Most disaccharides cannot be differentiated by TIM‐MS in underivatized form. Therefore, we developed chemical modifications to reduce sample complexity and enhance differentiability. Quantification is performed using stable isotope labelled standards, which are easily available due to the nature of the performed modifications.
Post‐Formation of Fused Pentagonal Structure on Fjord Region of Polyaromatic Hydrocarbons under Hydrothermal Conditions
Authors: Hamaguchi Naoto , Kubota Takumi , Yamada Masaaki , Kimura Hikaru , Tsuji Hayato 
Published: April 2024

AbstractThis study explores the synthesis of cyclopenta‐fused polyaromatic hydrocarbons (CP‐PAHs) via Pt‐catalyzed cyclization in water, focusing on the formation of fused pentagonal rings within heavily fused PAH frameworks. Utilizing platinum catalysts at lower temperatures (200‐260 °C) in water, led to the successful synthesis of singly cyclized CP‐PAHs. The reaction conditions facilitated the mono‐cyclization of substrates such as dibenzo[g,p]chrysene and its isomers, yielding the desired products while suppressing the formation of bis‐cyclized compounds. The use of Fe2O3 as an additive in conjunction with PtO2 was effective to suppress hydrogenation of the substrates and products. The products exhibited a redshift in UV‐visible absorption and photoluminescence bands due to a decrease in the HOMO−LUMO energy gap. These findings highlight the potential of Pt‐catalyzed cyclization for the controlled synthesis of CP‐PAHs, with implications for various applications in materials science.
A Structure‐Activity Investigation of the Fungal Metabolite (−)‐TAN‐2483B: Inhibition of Bruton's Tyrosine Kinase
Authors: McCone Jordan A. J. , Teesdale‐Spittle Paul H. , Flanagan Jack U. , Harvey Joanne E. 
Published: April 2024

AbstractThe natural product (−)‐TAN‐2483B is a fungal secondary metabolite which displays promising anti‐cancer and immunomodulatory activity. Our previous syntheses of (−)‐TAN‐2483B and sidechain analogues uncovered inhibitory activity against Bruton's tyrosine kinase (Btk), an established drug target for various leukaemia and immunological diseases. A structure‐based computational study using ensemble docking and molecular dynamics was performed to determine plausible binding modes for (−)‐TAN‐2483B and analogues in the Btk binding site. These hypotheses guided the design of new analogues which were synthesised and their inhibitory activities determined, providing insights into the structural determinants of the furopyranone scaffold that confer both activity and selectivity for Btk. These findings offer new perspectives for generating optimised (−)‐TAN‐2483B‐based kinase inhibitors for the treatment of leukaemia and immunological diseases.
Modeling Enzymatic Cascade Reactions Immobilized in Plug‐Flow Reactors for Flow Biocatalysis
Authors: Paschalidis Leandros , Arana‐Peña Sara , Sieber Volker , Burger Jakob 
Published: April 2024

AbstractFlow biocatalysis has emerged as a promising technology for the sustainable production of chemicals. Multiple immobilized enzymes are often used as biocatalysts to perform enzymatic cascade reactions in flow biocatalytic systems. When designing packed‐bed reactors with multiple immobilized enzymes, the enzymes are distributed in porous particles, and the porous particles are distributed in catalyst zones. A recently developed methodology is extended for selecting spatial immobilization distributions in batch reactors to packed‐bed reactors. Mechanistic models are used to compare the three most basic designs for a packed‐bed reactor, i.e., mixed individually immobilized enzymes, separated individually immobilized enzymes, and mixed co‐immobilized enzymes. For first‐order microkinetics, the design with co‐immobilized enzymes was found to always outperform the other two. Separating individually immobilized enzymes in two zones was proven to outperform mixing them in one zone for any positive order reaction kinetic.
Phenotypic diversity for morpho‐agronomic traits in the US proso millet (Panicum miliaceum L.) core collection
Authors: Rajput Santosh G. , Khound Rituraj , Santra Dipak K. 
Published: April 2024

AbstractProso millet (Panicum miliaceum L.) is a short‐season annual crop known for high water‐use efficiency and drought tolerance. The low water requirement makes this ancient grain an excellent rotational crop for the winter wheat‐based dryland cropping system in the High Plains of the United States. The genetic base of the commonly grown US cultivars is very narrow. Assessment of proso millet germplasm for agronomic traits is essential for its efficient utilization in the genetic improvement of this crop. The objectives of this study were to (1) characterize the US proso millet germplasm based on nine important morpho‐agronomic traits and (2) classify the germplasm into clusters based on these morpho‐agronomic traits. A total of 77 genotypes from 24 different countries were evaluated in the field during 2014 and 2015 at Scottsbluff and Sidney, NE. The genotypes showed significant variations for all the traits across locations. Many traits showed genotype × environment interactions and were highly correlated. Several genotypes were identified as sources of desired traits, such as maturity, lodging, and grain shattering. The genotypes formed six clusters based on morpho‐agronomic data. Principal component analysis revealed that these nine traits explained maximum phenotypic variance and could be used as selection indices in proso millet breeding. This is the most comprehensive study of the US proso millet core collection based on morpho‐agronomic traits and would be useful for developing improved proso millet cultivars.