bluuebunny/crossref_metadata_2025_split huggingface dataset:
Untargeted metabolomics reveals biomarkers for the diagnosis of coronary artery plaques as observed by coronary cardiac computed tomography
Authors: Shmet Manar , Amasha Mansor , Khattib Ali , Schweitzer Ron , Khatib Saeed , Hamudi Jihad , Halabi Majdi , Khatib Soliman 
Published: January 2025

AbstractAtherosclerosis is a major cause of morbidity and mortality worldwide; in Israel, ischemic heart disease is the second leading cause of death for both genders aged 45 and above. Atherosclerosis involves stiffening of the arteries due to the accumulation of lipids and oxidized lipids on the blood vessel walls, triggering the development of artery plaque. Coronary artery disease (CAD) is the most common manifestation of atherosclerosis. The prevalence of CAD in the general population remains high, despite efforts to improve the identification of risk factors and preventive treatments. The discovery of new biomarkers is vital to improving the diagnosis of CAD and its risk factors. We aimed to identify novel biomarkers that could provide an early diagnosis of coronary artery atherosclerotic plaques, their type, and the percentage of stenosis. We used an untargeted metabolomics approach to identify potential biomarkers that could enable highly sensitive and specific CAD detection. The study consisted of 109 patients who underwent cardiac computed tomography angiography at the Cardiology Department of Ziv Medical Center. Fifty‐four patients were diagnosed with coronary atherosclerotic plaques (CAD group), and 55 without plaques used control. Untargeted metabolomics using LC–MS/MS revealed 2560 metabolites in the patients' serum: 106 showed statistically significant upregulation in the serum of the CAD group compared with the healthy control group (p < 0.05). These metabolites belonged to the following chemical families: acyl‐carnitines, cyclodipeptides, lysophosphatidylcholine, and primary bile acids. In contrast, 98 metabolites displayed statistically significant downregulation in the serum of the CAD group compared with the control group, belonging to the following chemical families: GABA amino acids and derivatives (inhibitory neurotransmitters), lipids, and secondary bile acids. Our comprehensive untargeted serum metabolomic analysis revealed biomarkers that can be used for the diagnosis of patients with CAD. Further cohort studies with a larger number of participants are needed to validate the detected biomarkers.
Proteo‐Transcriptomic Analysis Reveals the Mechanisms Underlying Escherichia coli Phenotypic Shifts Under Blue Light
Authors: Shi Shuqi , Qi Wenlu , Zhang Jinming , Liang Caice , Liu Wei , Han Hui , Zhuang Wei , Chen Tianpeng , Sun Wenjun , Chen Yong 
Published: January 2025

ABSTRACTBacteria can adapt their lifestyles, including microbial growth, metabolism, and biofilm formation, in response to light signaling. However, the molecular pathways through which blue light affects the lifestyle of Escherichia coli (E. coli) remain incomplete and poorly understood. To address this gap, transcriptomic and proteomic approaches were employed to analyze the physiological differences of E. coli under dark and blue light conditions. Our results indicate that, compared to dark conditions, blue light attenuates flagellar assembly, reduces cell motility and communication, and decreases biofilm formation in E. coli. In addition, this study elucidates the signaling pathways involved in the blue light‐mediated regulation of E. coli behavior, providing a theoretical framework for understanding how E. coli responds to blue light signaling to modulate biofilm formation for the production of food chemicals.
A Journey From Traditional Supply Chain Processes to Sustainability‐Oriented Blockchain Supply Chain: The Critical Role of Organizational Capabilities
Authors: Polas Mohammad Rashed Hasan , Afshar Jahanshahi Asghar , Islam Mohammad Ekramol , Kabir Ahmed Imran , Sohel‐Uz‐Zaman Abu Saleh Md. , Fahad Abdullah Al 
Published: January 2025

ABSTRACTBlockchain technology has a great potential to transform how businesses approach sustainability by offering transparency, efficiency, and accountability across various processes. By adopting blockchain, businesses can not only meet growing consumer and regulatory demands for sustainability but also create competitive advantages by promoting resource efficiency, fostering trust, and building eco‐conscious operations. Building on dynamic capabilities lens within the resource‐based view (RBV) framework, and in order to know about antecedents and consequences of blockchain technology adoption, this study investigates how three types of organizational capabilities—namely, innovation capability, information‐sharing capability, and technological capability—may facilitate the blockchain technology adoption and most importantly, how such adoption could impact firm performance. To test our research hypotheses, we collected survey data from 198 electronics companies in Dhaka, Bangladesh. The structural equation modelling has been used to test the model hypothesis. The findings showed that all three organizational capabilities—innovation capability, information‐sharing capability, and technological capability—significantly facilitate blockchain technology adoption, which in turn leads to enhanced firm performance in small‐ and medium‐sized enterprises, demonstrating the strategic value of blockchain in driving sustainability and competitiveness in electronics companies.
Artificial Intelligence and Identification of the Deceased: a Narrative Review With Implications in Forensic Science
Authors: Siwan Damini , Rana Akansha , Krishan Peehul , Sharma Vishal , Krishan Kewal 
Published: January 2025

ABSTRACTIdentification of the dead is of utmost importance in mass disasters, war crimes, and forensic examinations. The biological profile, established by a forensic anthropologist is one the necessary steps involved in the identification of the dead. Several parameters can be estimated such as sex, age, stature, biogeographical affinity, and DNA profile of the unknown person. It is crucial to estimate these parameters of identification which may narrow down the investigation process. On the other hand, Artificial Intelligence (AI) in the modern world is showing magical uses in different fields. This communication aims to highlight the uses of AI tools for predicting parameters such as sex, age, stature, biogeographical affinity, and DNA profile of unknown persons with more accuracy and in less time. A literature search was conducted using databases PubMed, Scopus, Web of Science, and ScienceDirect for analyzing the use of artificial intelligence, machine learning, and deep learning algorithms for establishing the biological profile in disaster victim identification (DVI) and forensic casework. Moreover, this research foresees a paradigm shift in investigative techniques as technology advances, highlighting the convergence of AI and anthropological ideas for an improved understanding of the biological profiles of unknown deceased individuals.
Establishing a scalable perfusion strategy for the manufacture of CAR‐T cells in stirred‐tank bioreactors using a quality‐by‐design approach
Authors: Hood Tiffany , Springuel Pierre , Slingsby Fern , Sandner Viktor , Geis Winfried , Schmidberger Timo , Bevan Nicola , Vicard Quentin , Hengst Julia , Dianat Noushin , Rafiq Qasim A. 
Published: January 2025

AbstractChimeric antigen receptor T cell (CAR‐T) therapies show high remission rates for relapsed and refractory leukemia and lymphoma. However, manufacturing challenges hinder their commercial viability and patient accessibility. This study applied quality‐by‐design principles to identify perfusion critical process parameters for CAR‐T expansion in stirred tank bioreactors to maximize yields. A design of experiments in the Ambr® 250 High Throughput Perfusion small‐scale bioreactor revealed that earlier perfusion starts (48 h vs. 96 h post‐inoculation) and higher perfusion rates (1.0 VVD vs. 0.25 VVD) significantly increased cytotoxic CAR‐T cell yields without compromising critical quality attributes. Optimizing perfusion improved growth kinetics and yields across donor samples, achieving densities >21 × 106 cells/mL in 7 days, outperforming traditional fed‐batch and static flask cultures. This study underscores the importance of optimizing perfusion parameters to maximize CAR‐T yields and quality and highlights the utility of scale‐down models in reducing time, costs and risks associated with process development.
Design and Evaluation of Quinoline‐Schiff Bases Targeting Mtb DNA Gyrase: In Vitro and Computational Approaches
Authors: Shaik Baji Baba , Tembe Ntombikayise , Kajee Afsana , Ngcobo Zakhona , Ghai Meenu , Obakachi Vincent A. , Ghumran Safiyah , Ntuli Vusisizwe , Ornella Mefotso , Nadigar Siddaram , Bala Muhammad Dabai , Singh Parvesh , Karpoormath Rajshekhar 
Published: January 2025

AbstractA new series of quinoline‐Schiff bases was designed and synthesized using a straightforward and efficient methodology involving the condensation of 2‐chloroquinoline‐3‐carbaldehyde with substituted aromatic amines. A total of 17 quinoline‐Schiff bases were synthesized with 56%–86% yields and characterized by using 1H NMR, 13C NMR, and high‐resolution mass spectra (HRMS) as potent anti‐mycobacterial agents with Mtb DNA gyrase inhibitory activity. Among all, compound 7f displayed a significantly potent broad‐spectrum antitubercular and antimicrobial activity against most of the tested strains of bacteria and fungi, with minimum inhibitory concentration (MIC) values in the range of 1.95–15.62 µg/mL. Seven quinoline‐Schiff bases (7a, 7b, 7d, 7g, 7o, 7p, and 7q) displayed a key improvement in both drug‐sensitive and drug‐resistant strains with MIC range of 3.90–15.62 µg/mL, respectively. A subsequent in vitro study evaluated the most promising compounds (7a, 7d, 7f, 7p, and 7q) against Mtb DNA gyrase. Among these, compounds 7a, 7d, and 7f exhibited the highest activity, with IC50 values of 1.98, 1.26, and 3.96 µM, respectively. Molecular docking studies revealed strong binding affinities of the synthesized derivatives with the Mtb DNA gyrase enzyme, highlighting key hydrogen and carbon–hydrogen bond interactions with Tyr21, Gly84, Asn85, Asp110, Gln125, and pi–pi and pi‐alkyl interactions with Arg62, Phe116, Pro118, Ala146, and Val147. Furthermore, ADMET profiling of the most effective derivatives 7a, 7d, and 7f demonstrated comparable bioavailability scores (0.55) with varied lipophilicity (MLOGP: 2.90–3.39) and lower TPSA compared to ciprofloxacin (CFX). These comprehensive analyses and properties suggest favorable drug‐likeness with potential for further optimization.
Radical Strategy Towards N‐glycosides: Current Advances and Future Prospects
Authors: Xu Chunfa , Zhang Qinshuo , Yusupu Yimuran 
Published: January 2025

AbstractN‐glycosides exhibit diverse biological and pharmacological activities, making their efficient synthesis crucial for both biological research and drug development. Traditional acid‐promoted N‐glycosylation methods, which rely on the formation of oxocarbenium intermediates, often face significant challenges. These methods are water‐sensitive and typically require neighboring group participation to achieve high selectivity. Furthermore, they depend on acid activation, rendering them incompatible with alkyl amine. Additionally, low‐nucleophilicity amides often need to be converted into their TMS‐derivatives to enhance reactivity, limiting the direct use of such substrates. In contrast, radical‐based strategies have emerged as a promising alternative, addressing many of these limitations and leading to notable advances in N‐glycosylation. This review explores the unique properties of N‐glycosides, the inherent challenges of traditional N‐glycosylation techniques, and the transformative advantages offered by radical‐based approaches. Specifically, it highlights recent advancements in radical‐mediated N‐glycosylation, including photoredox radical strategies, radical/ionic hybrid approaches, and metallaphotoredox catalysis, accompanied by a detailed discussion of the underlying mechanisms. Finally, the ongoing challenges and potential future directions of N‐glycoside synthesis using radical strategies are presented.
Foetal Alcohol Spectrum Disorder (FASD) and the Courts: How England and Wales Could Benefit From Following an Australian Model
Authors: Hill Gabrielle , Gerry KC Felicity , Herlihen Paula , Allely Clare S. , Gilbert David J. 
Published: January 2025

AbstractFoetal alcohol spectrum disorder (FASD) is a set of symptoms and signs that may follow from exposure of the unborn child to alcohol during pregnancy. Characterised by cognitive and behavioural impairments, one secondary outcome from FASD, is encounters with the criminal justice system (CJS). In some countries, for example, England and Wales, it seems likely that many cases are missed at this point and, thus, courts are at risk of making unsafe judgements. We could learn a lot from countries where services are generally more used to dealing with FASD. Australia is one such country.
Vascular Healing After Biodegradable Polymer Sirolimus‐Eluting Versus Durable Polymer Everolimus‐Eluting Stents in Chronic Total Occlusions
Authors: Wang Geng , Li Yi , Lu Wen , Xu Yawei , Su Xi , Chen Shaoliang , Li Yang , Han Yaling ,   the TARGET CTO OCT substudy Investigators
Published: January 2025

ABSTRACTBackgroundBiodegradable polymer stents may reduce the risk of neoatherosclerosis and stent thrombosis. Limited data is available for biodegradable polymer sirolimus‐eluting stent (BP‐SES) and durable polymer drug‐eluting stents (DP‐EES) in chronic total occlusions (CTO).AimThis study was to evaluate healing patterns of BP‐SES versus DP‐EES in CTO at 3 and 13 months based on optical coherence tomography (OCT).MethodsThe TARGET‐CTO study is a prospective, multicenter, randomized noninferiority controlled trial for BP‐SES compared to DP‐EES in CTO. In the current predefined subanalysis, 44 consecutive patients underwent OCT follow‐up at 3 and 13 months. The primary endpoint was mean neo‐intimal thickness at 3 months.ResultsAt 3 months, mean neo‐intimal thickness was 47.6 ± 15.7 µm in BP‐SES and 62.5 ± 37.3 µm in DP‐EES (p = 0.384), meeting the noninferiority for BP‐SES (pnoninferiority < 0.001). Mean neo‐intimal thickness at 13 months was 76.4 ± 34.1 µm in BP‐SES and 106.6 ± 54.9 µm in DP‐EES (p = 0.086). No significant differences in strut coverage were observed at 3 or 13 months. At 13 months significantly higher percentages of frames with layered neo‐intima and neoatherosclerosis were observed in DP‐EES compared to BP‐SES (p = 0.015 and p = 0.021, respectively).ConclusionsBP‐SES was noninferior to DP‐EES in terms of neo‐intimal thickness at 3 months and healing responses at 3‐month follow‐up were comparable. At 13 months, less advanced neoatherosclerosis patterns were observed in BP‐SES as compared to DP‐EES.
Selective Borylation of C(sp3)−H Bond of Methyl Ethers Catalyzed by Iron Complexes Bearing Anionic Benzene‐Based PCP‐Pincer Ligands
Authors: Kuriyama Shogo , Suga Yuto , Sakata Ken , Nishibayashi Yoshiaki 
Published: January 2025

AbstractHighly selective catalytic C(sp3)−H borylation of methoxy groups has been achieved using newly synthesized iron complexes bearing benzene‐based PCP‐type pincer ligands as catalysts. Reactions of various aryl and alkyl methyl ethers as substrates with bis(pinacolato)diboron under mild reaction conditions proceeded to afford the corresponding methoxy borylated products in good to high yields. A successful example of the iron‐catalyzed C(sp3)−H borylation of a methylene group of tetrahydrofuran (THF) was also presented. A plausible reaction pathway is proposed based on the experimental result of some stoichiometric reactions and DFT calculations on a model reaction, where iron‐boryl and ‐alkyl complexes may work as key intermediates.
Exploring Divergent Role of Amine in Chemodivergent Synthesis of 4‐Alkyl/Aryl‐3H‐1,2‐Dithiole‐3‐Thione and Ketothioamide
Authors: Gupta Ankush , Gururaja Guddeangadi N. 
Published: January 2025

AbstractThe selective synthesis of 4‐alkyl/aryl‐3H‐1,2‐dithiole‐3‐thione in THF and water‐dependent switchable product ketothioamide is demonstrated. The presented method describes explicitly the synthesis of the extremely rare positional isomer 4‐alkyl/aryl‐3H‐1,2‐dithiole‐3‐thione, a unique structure distinct from another positional isomer, 5‐alkyl/aryl‐3H‐1,2‐dithiole‐3‐thione. The unique umpolung of the nitromethyl group is exploited for solvent‐selective nucleophilic sulfur and amine addition. The dual role of the ‐CBr3 moiety in the substrate as both a synthetic equivalent and an eliminating group is demonstrated.
Incorporation of Cages into Gels: Access to a New Class of Soft Materials with Well‐Defined Functionality
Authors: Zhao Jie , Zhang Yijie , Wang Zhe , Yang Dong 
Published: January 2025

AbstractThe combination of supramolecular self‐assemblies and polymer science has resulted in the development of soft materials with diverse properties and applications. In particular, the coordination cages of predefined shape, size, and internal cavity can be utilized intelligently as promising building units for designing responsive and smart soft materials with dual porosity, contributing to the introduction of versatile host‐guest chemistry into gels. In this review, we present the recent advancements in gels incorporating coordination cages into their networks, ranging from synthesis strategies to state‐of‐art applications. In particular, the host‐guest chemistry endows the hybrid gel materials with possibilities for guest‐specific responsive systems.
Sodium‐Potassium Competition as a Tool for Chemoselective Cucurbit[n]uril‐Xenon Host–Guest Complexation in Imaging Applications
Authors: Dziubińska‐Kühn Katarzyna , Musabirova Guzel , Effertz Sophie , Matysik Jörg , Jolivet Renaud Blaise 
Published: January 2025

AbstractCucurbit[n]urils (CB[n]) are a family of macromolecules, capable of encapsulating neutral or charged species. Due to their low toxicity, good solubility, and transport properties resulting from the structure forming the cage, they have gained popularity in imaging‐oriented studies. In vitro studies have shown that one of the guests compatible with the CB[n] hosts are Xe atoms, leading to high‐resolution 129Xe magnetic resonance signals in pulmonary medical imaging. This prompts the question of whether similar results could be achieved in vivo in other tissues and body fluids. Here, we demonstrate how the varying efficacy of Xe encapsulation by a CB[6] cage is governed by the Na+ : K+ molecular ratio in simulated body fluids. Moving from a high concentration of Na+ to an excess of K+ in the solution significantly increases Xe encapsulation by the macromolecules. This finding indicates chemoselectivity of cucurbit[6]uril host‐guest interactions. Since Na+ and K+ are the most abundant ions in human body fluids, our results provide a theoretical foundation for future liquid‐state in vivo Xe imaging in medical applications.
Construction of Porous Tetrazine‐Functionalized Networks: From Two‐ to Three‐Dimensional Counterparts with Tunable Properties
Authors: Suo Xian , Fan Juntian , Qiu Liqi , Li Meijia , Thapaliya Bishnu P. , Do‐Thanh Chi‐Linh , Lu Ziyang , Popovs Ilja , Mahurin Shannon M. , Yang Zhenzhen , Dai Sheng 
Published: January 2025

AbstractPorous organic networks (PONs) linked by aza‐fused rings are extensively studied and demonstrated wide applications in diverse fields. It is a long‐term attractive and challenging subject to explore novel PONs functionalized by unexplored aza‐fused moieties. Herein, a series of tetrazine‐linked PONs (Tz‐PONs) were constructed from two‐dimensional to three‐dimensional counterparts with tunable properties. The reaction pathway composed of the amidrazone intermediates formation using multiply substituted aromatic nitrile monomers was catalyzed by zinc salts with Lewis super acidity in the presence of hydrazine, and the subsequent tetrazine formation was assisted by sodium nitrite solution. Textural property of the as‐constructed scaffolds could be tuned by the acidity of the zinc salts, as well as the organic solvents. As an initial assessment, those Tz‐PONs displayed different photo absorption behavior, which may influence the corresponding photocatalysis.
Pharmacokinetics of Depemokimab Delivered by Safety Syringe Device or Autoinjector in Healthy Adults: A Phase I, Single‐Dose Study
Authors: Schalkwijk Stein , Zecchin Chiara , Sen Anusmita , Choi Sei , Wang Kai , Min Jeff , Spears Brian 
Published: January 2025

AbstractThis Phase I, randomized, multicenter, open‐label, parallel‐group, single‐dose study assessed the relative bioavailability of the anti–interleukin‐5 antibody depemokimab (100 mg) when administered subcutaneously via either a safety syringe device (SSD) or an autoinjector (AI). Healthy adult participants were randomized I:I to SSD or AI treatment arms and I:I:I to the injection site (upper arm, abdomen, or thigh). Participants were followed up for 30 weeks; blood samples were collected for pharmacokinetic (PK) assessment before dosing on Day 1 and up to Week 26. Depemokimab concentration profile as measured by plasma maximum concentration (Cmax), the area under the concentration–time curve from time zero extrapolated to infinity (AUC0‐inf), PK parameters, immunogenicity, and safety were assessed. Overall, 140 participants were enrolled (n = 70 per arm). Mean plasma concentration‐time profiles of depemokimab were similar in both treatment arms, regardless of the injection site, adjusted geometric mean AI:SSD ratios for Cmax and AUC0‐inf were 1.03 and 1.03, respectively, with all 90% confidence intervals within the bioequivalence bounds of 0.80–1.25. PK parameters were comparable across treatment arms. Treatment‐related adverse events were reported in 19% of SSD and 20% of AI participants, with headache being the most common across both arms; no adverse events led to study withdrawal. These results support the use of either SSD or AI for subcutaneous administration of depemokimab.
Noble‐Metal‐Free ZnII‐Anchored Pyrene‐Based Covalent Organic Framework (COF) for Photocatalytic Fixation of CO2 from Dilute Gas into Bioactive 2‐Oxazolidinones
Authors: Kishan Ram , Rani Pooja , Duhan Nidhi , Dhilip Kumar T. J. , Nagaraja C. M. 
Published: January 2025

AbstractPhotocatalytic conversion of CO2 into value‐added chemicals offers a propitious alternative to traditional thermal methods, contributing to environmental remediation and energy sustainability. In this respect, covalent organic frameworks (COFs), are crystalline porous materials showcasing remarkable efficacy in CO2 fixation facilitated by visible light owing to their excellent photochemical properties. Herein, we employed Lewis acidic Zn(II) anchored pyrene‐based COF (Zn(II)@Pybp‐COF) to facilitate the photocatalytic CO2 utilization and transformation to 2‐oxazolidinones. Notably, Zn‐COF displayed absorption of visible light, with an optimal band gap of 1.8 eV, effectively catalyzing light‐mediated functionalization of propargylic amines to 2‐oxazolidinones under green conditions. Detailed experimental and theoretical mechanistic investigations demonstrated that light plays a decisive role in enhancing the efficacy of the photocatalyst, as it activates inert CO2 molecule to radical anion and hence, decreases the energy barrier for its subsequent cyclization reaction with propargylic amine. Additionally, Zn‐COF demonstrates promising catalytic performance utilizing dilute gas as the CO2 source. This is the first report regarding noble metal‐free, Zn‐COF exhibiting excellent photocatalytic carboxylative cyclization of CO2 with propargyl amines to prepare 2‐oxazolidinones using dilute gas (13 % CO2). This study offers a new direction for rationally constructing noble metal‐free eco‐friendly photocatalyst for achieving CO2 fixation reactions under eco‐friendly conditions.