bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Ultrasensitive Self‐Calibrating Terbium Metal Organic Framework for the Detection of Amphotericin B
Authors: Gao Chan , Liu Luyao , Tan Zhenqi , Wang Xiaomei , Yang Tao , Zhou Xinhui , Xiao Hongping , You Yujian 
Published: November 2024

ABSTRACTWe successfully synthesized a 3D porous lanthanide metal–organic framework, [Tb (obdb)][Tb1/3(H2O)7/3]·NMP (Tb‐MOF) with hydrated terbium ions in the pores by solvothermal method using 4′,4″′‐oxybis[1,1′‐biphenyl]‐3,5‐dicarboxylic acid (H4obdb) as ligand. It is worth mentioning that Tb‐MOF exhibits excellent performance in structural stability and fluorescence response. Even after soaking in various solvents and pH solutions for 3 months, Tb‐MOF can maintain its structural integrity and excellent stability. The fluorescence spectra show that Tb‐MOF not only exhibits the luminescence of the ligand centered at 368 nm (IL), but also emits the characteristic emissions of the metal terbium, among which the luminescence at 542 nm is the strongest. In the detection of antibiotic amphotericin B (AB), Tb‐MOF showed significant detection efficiency. Upon increasing the concentration of AB, the fluorescence intensity at 542 nm gradually decreased, whereas the fluorescence at 368 nm decreased rapidly. The I542/IL value showed a very high linear correlation with AB concentration, with the slope reaching 1.29 × 108 M−1 (0–100 μM). In the field of fluorescent sensors for AB detection, Tb‐MOF is notable not only for its impressively low LOD (limt of detection) of 0.072 nM but also for pioneering the application of a self‐calibrating ratio‐based detection method. To better elucidate this fluorescence sensing phenomenon, we also conducted a detailed discussion of the sensing mechanism for AB.
Laser Characteristics of Er3+/Yb3+:K‐BaF2‐Al‐Phosphate Glasses
Authors: Ravipati Praveena , Sajja Surendra Babu , Palamandala Babu , Chalicheemalpalli Kulala Jayasankar 
Published: November 2024

ABSTRACTEr3+ and Er3+/Yb3+‐doped phosphate‐based glasses have been synthesized by melt quenching technique and are characterized by absorption spectra, infrared emission, decay curves, Fourier transform infrared spectrum and up‐conversion studies. From the absorption spectra, intensity parameters and radiative properties have been derived utilizing the Judd–Ofelt theory. Er3+‐doped glass is found to have larger radiative lifetime for the laser originating from 4I13/2 level at 1537 nm. Infrared and visible characteristic emissions have been measured by exciting at 790 nm through down‐ and up‐conversion, respectively. The up‐conversion spectra consist of intense green emission at around 525 and 545 nm ascribed to the 2H11/2 → 4I15/2 and 4S3/2 → 4I15/2 transitions, respectively, and a weak red emission at around 656 nm due to the 4F9/2 → 4I15/2 transition of Er3+ ions. Various spectroscopic and laser characteristics of these glasses have been calculated and compared with those of similar reported ones.
Development and Validation of a Headspace GC–MS Method for Simultaneous Quantification of Antimicrobial Preservatives in Biopharmaceutical Peptide Formulations
Authors: Selaya Susan Daniela , Abrigo Nicolas , Jones Clark , Korang‐Yeboah Maxwell , Faustino Patrick J. , Shakleya Diaa 
Published: November 2024

ABSTRACTThe four most used antimicrobial preservatives in biopharmaceutical parenteral formulations are phenol, meta‐cresol, chlorobutanol, and benzyl alcohol. Preservatives are included in various combinations in biopharmaceuticals highlighting the importance of an analytical method to quantify the four preservatives simultaneously. A headspace GC–MS method was developed to quantify phenol, chlorobutanol, meta‐cresol, and benzyl alcohol. The method was validated according to USP <1225>. System suitability <USP 621> was conducted daily for retention time (%RSD < 2.0%), peak area (%RSD < 5.0%), USP tailing factor (< 2.0 and %RSD < 10.0%), and peak resolution (> 2.0). Analytical ranges were 1.5–90 μg/mL for phenol and meta‐cresol, 30–240 μg/mL for benzyl alcohol, and 30–300 μg/mL for chlorobutanol. Method accuracy ranged from 94% to 108% and precision from 4% to 15 %RSD for all the tested preservatives. The method was applied to three marketed teriparatide drug products selected as a model. Preservative concentrations of the biopharmaceutical marketed products were determined and were found to be comparable with the labeled concentrations, except for an expired product with 2.5% of the label claim. The developed headspace GC–MS method can be used to evaluate the drug quality of the parenteral formulations and to support the assessment of biopharmaceutical peptide drug products.
Sustainable strategies and circular economy ecosystems: A literature review and future research agenda
Authors: Peçanha Lucio M. , Ferreira João J. 
Published: November 2024

AbstractVarious social and political entities are now promoting sustainable industrialisation through cultural transformations in regulation via research, education, ethics, politics and governance. The increasing uncertainties around dealing with the scope of environmental challenges also emphasise the need to consider these issues as social‐ecological systems. Prior reviews on sustainable strategies and circular economies have not approached the literature from this angle. To address this gap, we carried out a systematic literature review to generate insights into the evolution of sustainable strategies for circular economy ecosystems. This review combines bibliometric techniques with content analysis to identify the main thematic groups and research trends. We also put forward a framework for circular ecosystem‐related sustainable strategies that may not only assist scholars, policymakers, organisations and stakeholders in advancing with their respective projects but also provide an agenda for future research on this field.
Research Progress on the Antifibrotic Activity of Traditional Chinese Medicine Polysaccharides
Authors: Zhao Wenjing , Li Jieming , Cai Juntao , Gao Jie , Hu Yulong , Dong Chunhong 
Published: November 2024

ABSTRACTFibrosis is a pathological process characterized by excessive extracellular matrix (ECM) deposition and proliferation fibrous tissue, a condition associated with various chronic diseases, such as liver cirrhosis, inflammation of the lungs, and myocarditis. Clinical treatment options for fibrotic diseases are currently limited and have poor efficacy. However, recent studies have increasingly demonstrated that polysaccharides exhibit significant antifibrotic activity by modulating cell proliferation and migration, inhibiting inflammation and oxidative stress associated fibrosis and regulating gut microbiota. This review provides an overview of recent advances in polysaccharide research for antifibrosis and offers new perspectives on the treatment of fibrotic diseases.
Solid State Synthesis of Hyaluronic Acid–Quercetin Conjugate: Sustainable Protocol to Improve the Biological Activity of Quercetin
Authors: Verdoliva Valentina , Muzio Giuliana , Autelli Riccardo , De Luca Stefania 
Published: November 2024

ABSTRACTHerein, a sustainable solid‐state procedure is employed for the synthesis of a water‐soluble molecule obtained by linking hyaluronic acid to the hydrophobic quercetin (HA‐QCT). The micellar self‐aggregation of the developed conjugate suggested its employment as a drug delivery nano‐system, considering the numerous biological activities of QCT. Indeed, the spectroscopic characterization (ultraviolet−visible and Fourier transform infrared) ensured that the QCT maintained its chemical integrity. In addition, a cytotoxicity test revealed that HA‐QCT can be employed as a biocompatible drug vehicle for pharmacological purposes. A preliminary colorimetric test also confirmed that QCT retained its anti‐oxidant activity.
Auto‐Deactivation of BODIPY‐Derived Type I Photosensitizer Post Photodynamic Therapy under Hypoxia
Authors: Wang Xia , Wang Zhaobin , Hang He , Feng Fude 
Published: November 2024

AbstractThe long‐lasting activity of photosensitizers during photodynamic therapy (PDT) causes excessive damage and arouses great concerns about biosafety. Herein, we synthesized a pyridinium‐decorated diiodo‐BODIPY compound (PyBDP) and investigated its photosensitizing activity under hypoxic condition in the presence of NADH that is abundant in the mitochondria of hypoxic tumors. The unique property of PyBDP lies in the redox environment‐dependent photo‐response. At green light exposure, PyBDP is converted into a colorless inactive form by interacting with NADH in a two‐step one‐electron transfer process. Interestingly, the NADH‐dependent hydrogenation of PyBDP is affected by the presence of cytochrome c (Cyt cox) that is an important component of mitochondrial electron transport chain (Mito‐ETC), unless Cyt cox is exhausted. Active radical species is produced during the photocatalytic reaction, which adds the understanding of PyBDP‐induced photodamage. Therefore, we applied the strategy of auto‐deactivation PDT using a BODIPY photosensitizer by tethering triphenylphosphonium to PyBDP. After PDT effect in a type I pathway, the photosensitizer underwent almost entire auto‐deactivation in hypoxic HeLa cells. This work paves a way for the development of reductive PDT with enhanced safety and efficacy in fighting hypoxic tumors independent on reactive oxygen species (ROS).
Impact of Part‐Time Faculty on Community College Student Success: An Analysis of Literature Using Foucault's Three Modes of Objectification
Authors: Meredith Meagan , Zhang Yi Leaf 
Published: November 2024

ABSTRACTAs the reliance on part‐time faculty members in community colleges increases, it is imperative to understand their contributions toward student success. This article analyzes a large body of existing literature that examines the use of part‐time faculty and their impact on student academic outcomes. The article utilizes Foucault's three modes of objectification—scientific classification, dividing practices, and self‐subjection—to reveal the systemic social imbalances within higher education, especially in the community college context. Through this lens, it explores how these imbalances interfere with our understanding of the impact of part‐time faculty in community colleges on student success. The article concludes that relying on traditional student achievement metrics to assess faculty performance normalizes and reproduces the 4‐year university's stronghold as the arbiters of knowledge production, thereby subjecting staff and students to objectification. It calls for dismantling systemic barriers that prevent community colleges from achieving the goal of equity in higher education.
Arterial Occlusive Events in a Patient With Chronic Myeloid Leukemia Treated With Ponatinib
Authors: Imataki Osamu , Uemura Makiko 
Published: November 2024

ABSTRACTArterial occlusive events (AOE) are rare adverse event in patients with chronic myeloid leukemia treated with tyrosine kinase inhibitor such as ponatinib. We treated a 47‐year‐old woman with chronic myeloid leukemia. She was failed to achieve optimal molecular response in prior two lines tyrosine kinase inhibitors treatment (dasatinib and bosutinib) for first 30 months. Finally, she was treated with ponatinib and achieve complete molecular remission in 28 months. However, she was suffered from AOE, in bilateral stenosis of the middle cerebral arteries. The patient's responsible vascular lesions of AOE were atypical site rather than usually affected lesions in common arteriosclerosis.
Kernel‐Based Bootstrap Synthetic Data to Estimate Measurement Uncertainty in Analytical Sciences
Authors: Feinberg Max , Clémençon Stephan , Rudaz Serge , Boccard Julien 
Published: November 2024

ABSTRACTMeasurement uncertainty (MU) is becoming a key figure of merit for analytical methods, and estimating MU from method validation data is cost‐effective and practical. Since MU can be defined as a coverage interval of a given result, the computation of statistical prediction intervals is a possible approach, but the quality of the intervals is questionable when the number of available data is reduced. In this context, the bootstrap procedure constitutes an efficient strategy to increase the observed data variability. While applying naive bootstrap to validation data raises some computational challenges, the use of smooth bootstrap is much more interesting when synthetic data are generated using an adapted kernel density estimation algorithm. MU can be directly obtained in a very convenient way as an uncertainty function applicable to any unknown future measurement. This publication presents the advantages and disadvantages of this new method illustrated using diverse in‐house and interlaboratory validation data.
Metalized Borylene in Boron‐Gold Carbonyl Complexes: Infrared Spectra and Theoretical Calculations
Authors: Hu Jin , Wang Xuefeng 
Published: November 2024

AbstractBorylenes (:B−R) that are built on a single B−R bond between boron and another nonmetallic atom or group are a heated subject of special interest due to their intriguing transition‐metal‐mimicking reactivity, but the relative lack of understanding for the electronic structure and chemical bonding of transition metal borides leads to lingering neglect of metalized borylenes (:B−M) based on covalent B−M bonding. Here we use infrared photodissociation spectroscopy in combination with density functional calculations to study the geometric structure and chemical bonding of boron‐gold carbonyl complex cations. The structure and bonding analyses demonstrated that the BAu(CO)3+ and BAu2(CO)4+ complexes can be described as bis‐carbonyl‐trapped borylene adducts. While the metal‐rich BAu3(CO)4+ complex represents an unusual multicenter‐bond‐stabilized borylene cation with excellent σ‐acidity and π‐backbonding capability for CO activation, featuring Cs symmetry with a quasi‐T‐shaped BAu3+ core. It is manifested that BAu3+ presents greater amphoteric reactivity and improved stability compared to BAu1,2+ due to the presence of the three‐center‐two‐electron Au−B−Au bond. This study discloses a conceptually new platform for accessing reactive metalized borylenes by exploiting the boron‐mediated multicenter‐bond stabilization strategy and using more bench‐stable and ubiquitous metal carbonyl fragments as starting materials, thus providing a broader opportunity for the design of novel chemical structures and catalytic reactions.
Basic‐Functionalized Ionic Porous Organic Polymers: Triple Roles in One for Highly Efficient and Recyclable Carboxylative Cyclization of CO2 under Mild Conditions
Authors: Tao Han , Mao Weiqi , Jiang Lili , Xiao Qiaoxin , Zhao Zhenyu , Wang Kaili , Zhang Zhaowei , Bai Jiayi , Li Haoran , Wang Congmin 
Published: November 2024

AbstractThe transformation of carbon dioxide (CO2) into high‐value chemicals is a significant step towards achieving the goal of “carbon neutrality”. α‐methylene cyclic carbonate, as an intermediate for the synthesis of many important organic compounds, is widely employed in industrial productions. In this work, a series of ionic porous organic polymers (IPOPs) with different basic‐functionalized anions were successfully synthesized and adjusted to have certain BET surface areas and high contents of ion sites by post‐modification. These basic‐functionalized IPOPs could exhibit excellent catalytic performance for carboxylative cyclization of CO2 at 30 °C and 1 bar in presence of silver salts, eliminating the use of the extra organic bases. In the whole catalytic reaction, the basic‐functionalized anions could play triple roles: enriching CO2 for further transformation, activating the hydroxyl groups of substrates to improve the catalytic performance, while coordinating with Ag atom to stabilize and regenerate catalyst. Notably, the catalytic system of DCX‐4‐Tet/Ag2O exhibited excellent recyclability, and the yield of α‐alkylidene cyclic carbonate was well maintained at 99 % after 5 cycles. To the best of our knowledge, the catalytic system was the first example of basic‐functionalized IPOPs that played multiple roles for highly efficient CO2 cyclization under mild conditions without any extra organic bases.
Design and Synthesis of 2‐Nitroimidazole‐1,2,3‐triazole Sulfonamide Hybrids as Potent and Selective Anti‐Trypanosomatid Agents
Authors: Tietz Victória C. , Ortale Maria L. F. , das Neves Amarith R. , Pelizaro Bruno I. , Carvalho Diego B. , Shiguemoto Cristiane Y. K. , Portapilla Gisele B. , Silva Talicia S. , Silva Fernanda , Piranda Eliane M. , Leite Cleison R. , Dantas Fabiana G. S. , Oliveira Kelly M. P. , Guerrero Palimecio G. , Marques Francisco A. , LaGatta Davi C. , Arruda Carla C. P. , de Albuquerque Sergio , Baroni Adriano C. M. 
Published: November 2024

AbstractA series of 2‐nitroimidazole‐1,2,3‐triazole sulfonamide hybrid analogs were designed using medicinal chemistry approaches, such as bioisosterism, molecular hybridization, Topliss tree decision, and Craig plot. A total of 24 compounds were synthesized via click chemistry in satisfactory yields. Overall, analogs 15 a‐x exhibited relevant in vitro anti‐trypanosomatid activity against amastigote forms of T. cruzi and without cytotoxic effect on LLC–MK2 cells. Analogs 15 b (R1=4‐Cl−Ph; IC50=1.63 μM, SI=>30.65), 15 m (R1=3,4‐di‐Cl−Ph; IC50=0.63 μM, SI=>78.96), and 15 s (R1=Ph‐4‐O−Ph; IC50=0.63 μM, SI=>79.90) demonstrated pronounced antitrypanosomal activity, more active than the reference drug, benznidazole and with good selectivity indexes. Furthermore, analog 15 b (R1=4‐Cl−Ph; IC50=0.5 μM, SI=>100) exhibited an outstanding antileishmanial activity against amastigote forms of Leishmania (L.) amazonensis and impressive selectivity index, comparable to the reference compound amphotericin B. The mutagenicity of compounds 15 b and 15 m were evaluated against Salmonella typhimurium strains (TA98, TA100 and TA102). Compound 15 b exhibited mutageniticy only at a concentration of 500  μg/plate for the TA100 strain, whereas compound 15 m was considered non‐mutagenic. These findings suggest that 2‐nitroimidazoles‐1,2,3‐triazole sulfonamide hybrid analogs are promising anti‐trypanosomatid candidates for future in vivo studies.
How Should we Teach Medicinal Chemistry in Higher Education to Prepare Students for a Future Career as Medicinal Chemists and Drug Designers? – A Teacher's Perspective
Authors: Klahn Philipp 
Published: November 2024

AbstractIn the recent two decades, the multidisciplinary field of medicinal chemistry has undergone several conceptual and technology‐driven paradigm changes with significant impact on the skill set medicinal chemists need to acquire during their education. Considering the need for academic medicinal chemistry teaching, this article aims at identifying important skills, competences, and basic knowledge as general learning outcomes based on an analysis of the relevant stakeholders and concludes effective teaching strategies preparing students for a future career as medicinal chemists and drug designers.
GRIN1‐related epilepsy in a neonate with response to memantine and vigabatrin
Authors: Eiler Isabella , Reecher Hope M. , Carlton Katherine , Cabacungan Erwin , Cohen Susan , Adams Samuel , Jozwik Jenna , Singh Avantika 
Published: November 2024

AbstractObjectiveA newborn with GRIN1‐related early infantile developmental and epileptic encephalopathy (DEE) with striking pharmacoresistance is described with emphasis on potential therapy with memantine and vigabatrin.MethodsThe term neonate manifested electrographic and electroclinical seizures from the first day of life with focal tonic seizures with apnea, bradycardia, and desaturations and later developed epileptic spasms and a hyperkinetic movement disorder. Multiple antiseizure medication trials were unsuccessful. Brain magnetic resonance imaging displayed extensive malformations of cortical development.ResultsWhole‐exome sequencing demonstrated a de novo novel GRIN1 variant (1916T > G,p.Phe639Cys), which can be associated with NMDA receptor dysfunction. Gain‐of‐function mutation was suspected based on phenotype correlation. Seizures markedly improved after initiation of memantine, an NMDA‐receptor antagonist. Memantine was complemented by the concurrent use of vigabatrin, initiated 4 days earlier due to emergence of epileptic spasms. Significant reduction in seizures facilitated discharge from neonatal intensive care unit.InterpretationGRIN1‐related disorders occur due to NMDA receptor dysfunction. Patients with gain‐of‐function GRIN1 mutations who present with the phenotype of DEE with extensive bilateral polymicrogyria may benefit from a trial of NMDA‐receptor antagonist therapy and vigabatrin. Further research is warranted to better understand this markedly pharmacoresistant condition and to investigate targeted therapies in GRIN1 DEE.
Unraveling the Stereoisomer Configurations of 1,1’‐bis(tert‐butylphosphino)Ferrocene in the Gas Phase
Authors: Sun Wenhao , Kargin Denis , Kelemen Zsolt , Pietschnig Rudolf , Schnell Melanie 
Published: November 2024

AbstractThe molecular structure of a ferrocene derivative with adjacent centers of chirality, 1,1’‐bis(tert‐butylphosphino)ferrocene, has been examined in the gas phase using broadband microwave spectroscopy under the isolated and cold conditions of a supersonic jet. The diastereomers of 1,1’‐bis(tert‐butylphosphino)ferrocene can adopt homo‐ and hetero‐chiral configurations, owing to the P‐chiral substituents on the cyclopentadienyl rings. Moreover, the internal ring rotation of each diastereomer gives rise to four conformers with eclipsed ring arrangements, where the two tert‐butylphosphino groups were separated by dihedral angles of approximately 72°, 144°, 216°, and 288° with respect to the two ring centers. The interconversion barriers between the conformations are below 2 kJ/mol, whereas the pyramidal inversion of the tert‐butylphosphino groups is hindered by more than 140 kJ/mol, calculated at the B3LYP−D3(BJ)/def2‐QZVP level of theory. In the experimental microwave spectrum, we unambiguously identified the two global‐minimum diastereomers with 72° conformations. The absence of other conformers can be attributed to the relaxation dynamics in the supersonic jet, which transfers the high‐energy conformers to the respective global‐minimum geometries. Additionally, we discovered that London dispersion interactions between the two tert‐butylphosphino groups play a crucial role in stabilizing the structures of this ferrocene complex.