bluuebunny/crossref_metadata_2025_split huggingface dataset:
The impact of clinical trial enrollment on specialty palliative care utilization in pediatric patients with high‐grade gliomas
Authors: Roberts Holly J. , Wang Yujie , Spruit Jessica L. , Taylor Laura , Franson Andrea T. 
Published: December 2022

AbstractBackgroundPalliative care (PC) provides numerous benefits for children with cancer. Pediatric patients with high‐grade glioma (HGG) are particularly well suited for early PC involvement given their high symptom burden and poor prognosis. However, studies continue to reveal that children with cancer, including HGG, have delayed PC involvement. We hypothesized that clinical trial enrollment may lead to a lack of or delay in PC involvement in this population.ProcedureFor each patient in our cohort of 43 pediatric patients with HGG, demographic, diagnostic, therapeutic, clinical trial enrollment, and PC information were collected. Statistical analysis was performed comparing PC characteristics between patients who did and did not enroll in a clinical trial.ResultsSeventy‐two percent of patients had at least one visit with a PC provider. Fifty‐six percent of patients enrolled in a clinical trial with HGG‐directed therapy. Seventy‐one percent of patients who enrolled in a clinical trial received specialty PC compared to 74% of non‐trial participants (p = 1.000). Patients who enrolled in clinical trials received PC earlier in their disease course measured in days before death (mean = 177 days) compared to those who did not enroll (mean = 113 days, p = .180), though not statistically significant.ConclusionsThe prevalence of clinical trial enrollment is high in patients with HGG and will likely increase as the genomic/epigenomic landscape of these tumors is better understood. As such, our data reassuringly suggest that trial participation does not interfere with the receipt of specialty PC in this population.
Validation of algorithms to select patients with multiple myeloma and patients initiating myeloma treatment in the national Veterans Affairs Healthcare System
Authors: La Jennifer , DuMontier Clark , Hassan Hamza , Abdallah Maya , Edwards Camille , Verma Karina , Ferri Grace , Dharne Mayuri , Yildirim Cenk , Corrigan June , Gaziano J. Michael , Do Nhan V. , Brophy Mary T. , Driver Jane A. , Munshi Nikhil C. , Fillmore Nathanael R. 
Published: December 2022

AbstractBackgroundWe aimed to evaluate and compare the performance of multiple myeloma (MM) selection algorithms for use in Veterans Affairs (VA) research.MethodsUsing the VA Corporate Data Warehouse (CDW), the VA Cancer Registry (VACR), and VA pharmacy data, we randomly selected 500 patients from 01/01/1999 to 06/01/2021 who had (1) either one MM diagnostic code OR were listed in the VACR as having MM AND (2) at least one MM treatment code. A team reviewed oncology notes for each veteran to annotate details regarding MM diagnosis and initial treatment within VA. We evaluated inter‐annotator agreement and compared the performance of four published algorithms (two developed and validated external to VA data and two used in VA data).ResultsA total of 859 patients were reviewed to obtain 500 patients who were annotated as having MM and initiating MM treatment in VA. Agreement was high among annotators for all variables: MM diagnosis (98.3% agreement, Kappa = 0.93); initial treatment in VA (91.8% agreement; Kappa = 0.77); and initial treatment classification (87.6% agreement; Kappa = 0.86). VA Algorithms were more specific and had higher PPVs than non‐VA algorithms for both MM diagnosis and initial treatment in VA. We developed the “VA Recommended Algorithm,” which had the highest PPV among all algorithms in identifying patients diagnosed with MM (PPV = 0.98, 95% CI = 0.95–0.99) and in identifying patients who initiated their MM treatment in VA (PPV = 0.93, 95% CI = 0.90–0.96).ConclusionOur VA Recommended Algorithm optimizes sensitivity and PPV for cohort selection and treatment classification.
Muscle oxygenation of the paretic and nonparetic legs during and after exercise in chronic stroke: Implications for mobility
Authors: Whyte Elizabeth , Thomas Scott , Marzolini Susan 
Published: December 2022

AbstractBackgroundOxygen delivery and demand are reduced in the paretic leg of individuals after stroke. However, it is unknown how muscle oxygenation, the balance between delivery and utilization of oxygen at the muscle, is altered post‐stroke during aerobic exercise and how it relates to mobility.ObjectiveTo monitor muscle oxygenation changes between the paretic and nonparetic legs of individuals after stroke during treadmill exercise and the 6‐minute walk test and analyze the association with mobility.DesignCross‐sectional study.SettingCardiac rehabilitation program.PatientsEleven male participants were enrolled in the study. Ten men (30.8 ± 4.1 months post‐stroke; age 63.9 ± 13.9 years) with hemiparetic gait pattern finished the study.Methods or interventionsNot applicable.Main outcome measuresMuscle oxygenation was measured with near‐infrared spectroscopy placed on the vastus lateralis of each leg during treadmill exercise at the first ventilatory threshold and during a 6‐minute walk test.ResultsThe desaturation slope during treadmill exercise was significantly steeper (p = .047) in the paretic (−0.7 ± 0.6%/s) compared to the nonparetic leg (−0.3 ± 0.2%/s). There was no other significant difference between legs. The 6‐minute walk test distance was not correlated with 6‐minute walk test muscle oxygenation in either leg (paretic: r = 0.20, p = 0.590; nonparetic: r = 0.42, p = .232).ConclusionsAt the onset of treadmill exercise, the paretic leg was unable to effectively match the oxygen demand and extraction of the nonparetic leg, suggesting the need for an immediate cardiovascular warmup prior to initiating moderate intensity exercise in this population. Because the exercise desaturation rate is thought to indicate increased anaerobic metabolism and lactate production, efforts to delay rapid desaturation could improve the sustainability of activities of daily living and exercise.
The client net state: Trajectories of state control over cyberspace
Authors: Harvey Callum J. , Moore Christopher L. 
Published: December 2022

AbstractSocial media corporations have become fixtures of daily life to the extent they are regularly compared to states in size and scope. These corporations and their platforms have become the dominant stakeholders of cyberspace, operating as state‐like cyber actors, or net states. Previous approaches have limited the net state to the online, framing their populations and agendas separate to the material reality of their everyday operations, overlooking the tangible overlap between sovereignty and cyberspace. In this article, we examine whether net states can be co‐opted into the apparatus of state in a manner comparable to client states. We examine the case of WeChat, the Chinese multipurpose messaging and social media app developed by Tencent in its operation as a client net state of the People's Republic of China. The interactions between these actors are mapped using a methodological framework incorporating actor‐network theory to demonstrate the existence of client net states, and how they may be deployed to expand a state's influence and cyber sovereignty beyond its physical borders.
Global psycho‐oncology in low middle‐income countries: Challenges and opportunities
Authors: Dunn Jeff , Rodin Gary 
Published: December 2022

AbstractObjectivesThis Special Issue of Psycho‐Oncology is focused on challenges and opportunities in the provision of psychosocial care to patients in low and middle‐income countries (LMICs). The aim is to highlight global disparities and inequity in the provision of evidence‐based, culturally‐sensitive and timely psychosocial care and to showcase the work of researchers and practitioners to address this gap. We hope that this Issue will help to advance the psychological and social dimensions of cancer care in all parts of the world.MethodsThe focus of the papers is on research and clinical innovations in LMICs that target the psychological, social and cultural dimensions of cancer and on interventions to improve or maintain the psychological well‐being, social functioning and/or quality of life of those who are affected and their families.ResultsThese papers draw attention to guidelines, resource needs, clinical service evaluation, emerging research and knowledge translation within LMICs that advance knowledge and implementation in the field of psycho‐oncology.ConclusionsInnovations and advances in psycho‐oncology are emerging from LMICs to enhance the care of patients with cancer and their families in these regions and in all parts of the world. A sustained global initiative is now needed to ensure that guidelines for such care are routinely included in global, national and local cancer control plans and that essential resources and attention are directed to implement them.
Mechanistic modeling of drug products applied to the skin: A workshop summary report
Authors: Tsakalozou Eleftheria , Alam Khondoker , Ghosh Priyanka , Spires Jessica , Polak Sebastian , Fang Lanyan , Sammeta Srinivasa , Zhao Ping , Arora Sumit , Raney Sam G. 
Published: December 2022

AbstractThe development of a generic drug product involves demonstrating that there is no significant difference in the rate and extent to which the active ingredient becomes available at the site of action, relative to the reference listed drug product. This remains challenging for many locally acting topical dermatological products because measuring the concentration of the active ingredient at the site of action in the skin may not be straightforward, and, in most instances, there are no established relationships between skin and plasma pharmacokinetic profiles. In recent years, the Office of Generic Drugs of the US Food and Drug Administration (FDA) established scientific research programs with the goal of enhancing patient access to high quality, affordable topical dermatological generics. A key strategy of these research programs was to leverage modeling and simulation methodologies that accelerate the development of these generics by facilitating alternative bioequivalence approaches for dermatological drug products. This report summarizes relevant insights and discussions from a 2021 FDA public workshop titled “Regulatory Utility of Mechanistic Modeling to Support Alternative Bioequivalence Approaches,” which illustrated how mechanistic modeling and simulation approaches can be utilized (and have been used) to inform generic drug product development and regulatory decisions during the assessment of generic drug applications submitted to the FDA.
Quantitative analysis of ToF‐SIMS data of a two organic compound mixture using an autoencoder and simple artificial neural networks
Authors: Aoyagi Satoka , Matsuda Kazuhiro 
Published: December 2022

RationaleMatrix effects cause a nonlinear relationship between ion intensities and concentrations in mass spectrometry, including time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS). Here, two artificial neural network (ANN)‐based methods, autoencoder‐based and simple ANN methods, were employed for the quantitative and qualitative analyses of a two organic compound mixture via ToF‐SIMS.MethodsThe multilayer model sample contained a mixture of Irganox 1010 and Fmoc‐pentafluoro‐L‐phenylalanine (Fmoc‐PFLPA). The sample's positive and negative ion depth profiles were collected through ToF‐SIMS. ToF‐SIMS‐derived cross‐sectional image datasets were analyzed using three unsupervised methods, namely principal component analysis (PCA), multivariate curve resolution (MCR), and use of a sparse autoencoder (SAE). The supervised simple ANN method was optimized based on the spectra and validated by predicting the test dataset ratios of Irganox 1010.ResultsThe results obtained using the SAE demonstrated linear calibration curves and appropriate material distribution images. The Irganox 1010 and Fmoc‐PFLPA positive and negative ion datasets exhibited >0.97 correlation coefficients. The PCA and MCR results demonstrated lower linearity than that of SAE. Moreover, SAE weights indicated the ions important for each organic compound. The simple ANN method accurately predicted the ratios in the test dataset and indicated the important ions.ConclusionsBoth the supervised and unsupervised methods based on ANN, which were employed in regulating nonlinear relationships, were effective in the quantitative and qualitative analyses of the ToF‐SIMS data of the two organic compound mixtures. Regarding qualitative analysis, both ANN‐based methods indicated specific ions from the molecules in the sample.
Preparation of Vermiculite‐based Molecular Sieve‐Supported Ni‐Co Alloy Catalyst Assisted by Oleic Acid and Application in Dry Reforming of Methane
Authors: Su Peng , Ge Yizhao , Ma Yujie , Cheng Haifeng , Wang Zijun , Liu Minmin 
Published: December 2022

AbstractIn this work, microporous vermiculite‐based molecular sieves were etched into mesoporous vermiculite‐based molecular sieves by alkaline solution, and the mesoporous vermiculite‐based molecular sieves were supported by Ni or Ni‐Co alloy active components by oleic acid‐assisted method and impregnation method, respectively. And prepared catalysts were applied to the dry reforming of methane (DRM) reaction. Under the reaction conditions of T=750 °C and GHSV=30000 mL/(h gcat), the conversion rate of CO2 and CH4 of the Ni‐Co‐oa/VSiO2 bimetallic catalyst reached 84.7 % and 71.9 %, respectively. According to the analysis of the relevant characterization results, the Ni‐Co‐oa/VSiO2 catalyst has more nickel active sites and stronger interaction between metal and support due to the addition of oleic acid. Therefore, Ni‐Co‐oa/VSiO2 has better catalytic reactivity and stability.
One Pot Synthesis of Cubic Mesoporous Silica KIT‐6 Functionalized with Sulfonic Acid for Catalytic Dehydration of Fructose to 5‐Hydroxymethylfurfural
Authors: Deka Juti Rani , Saikia Diganta , Tsai Hui‐Hsu Gavin , Chen Ke‐Ting , Kuan Wei‐Hsuan , Hsu Hung‐Cheng , Kao Hsien‐Ming , Yang Yung‐Chin 
Published: December 2022

AbstractWell‐ordered cubic mesoporous silicas KIT‐6 functionalized with sulfonic acid moiety (−SO3H) (up to 30 mol% based on silica) are synthesized via co‐condensation of tetraethoxysilane (TEOS) and mercaptopropyltrimethoxysilane (MPTMS) under acidic conditions using Pluronic P123 as the structure directing agent and H2O2 as the oxidant. The materials are used as heterogeneous catalysts for the dehydration of fructose to 5‐hydroxymethylfurfural (HMF), and the HMF yield as high as 88 % is achieved at 135 °C within 40 min in the presence of dimethyl sulfoxide (DMSO) as solvent. The effects of various experimental parameters, such as reaction temperature, time, solvent, and the mass ratio of fructose to catalyst, on the HMF yield are also systematically investigated. The catalyst could be easily recovered from the reaction and reused, and 83 % HMF yield could be retained after used for three cycles, which demonstrated the remarkable stability of the catalyst.
Experimental and Theoretical Study for Proton Transfer of Aggregated‐Induced Emission Active Fluorescent Schiff Bases
Authors: Bansal Richa , Kumar Gulshan , Luxami Vijay 
Published: December 2022

AbstractIn this paper, we studied the effect of increasing the conjugation in compound 3 on the proton transfer and aggregation‐induced emission properties. Compound 3 exhibited the dual absorption peak at 420 nm and 320 nm, which was redshifted by 50 nm compared to compound 2 (previous report). Compound 3 emits exhibited a peak at 530 nm with a Stokes’ shift of 110 nm after photoexcitation at 420 nm. In a high polarity medium, the absorption and emission spectra of compound 3 showed redshifts of 50 nm and 20 nm, respectively. Further, compound 3 displayed the aggregation‐induced emission enhancement in THF/H2O (60 % v/v). Additionally, the proton transfer process in compounds 2 and 3 was evaluated through theoretical calculations via determining the relative free energies of possible tautomeric forms. It was determined that the small energy barriers for compound 2 in the S1 state suggested the presence of the proton transfer process; however, high energy barriers and high stabilization and Boltzmann population of 3.KK tautomeric form at S0 and S1 state for compound 3 discommoded the proton transfer process. Further, the aggregated form of compound 3 (20 μM; CH3OH/HEPES buffer (4 : 1; v/v) pH=7.04) was utilized to recognize Cu2+ ions with the lowest detection limit of 1.5 nM and Stern‐Volmer binding constant of 2.8×105 M−1. A noted decrease in the hydrodynamic size of compound 3 from 400 nm to 40 nm in the presence of Cu2+ ions confirmed the disaggregation with a decrease in emission intensity. Compound 3 was also employed as a Cu2+ ions recognizer in different collected samples with good percentage recovery.
Synthesis, Characterization, Biological Activity and Molecular Modeling Studies of Novel Aminoguanidine Derivatives
Authors: Doğan Nuriye , Yavuz Sevtap Çağlar , Sahin Kader , Orhan Muge Didem , Kekeçmuhammed Hüseyin , Calis Seyma , Küp Fatma Öztürk , Avsar Timucin , Akkoc Senem , Tapera Michael , Sahin Onur , Kilic Turker , Durdagi Serdar , Saripinar Emin 
Published: December 2022

AbstractIn recent years, various compounds including the aminoguanidine scaffold have been reported to exhibit diverse biological activities. In the current study, 16 compounds that include guanylhydrazone (aminoguanidine) moiety (3 a–3 p) were synthesized and characterized through the spectrum data, including 1H‐NMR, 13C‐NMR, and FT‐IR. Furthermore, the proposed structure of 3 a was resolved by single‐crystal X‐ray diffractometer. The prepared compounds were then tested for their different in vitro biological activities including antitumor activities against several types of cancer cell lines (A549, MCF‐7, and U87‐MG). Results showed that among the studied compounds especially 3 i, 3 n, and 3 p showed promising antiproliferative effect and they may be considered as good candidates for further in vitro and/or in vivo animal model studies. All the 16 derivatives synthesized in this study were also screened for their antimicrobial, antioxidant activity and DNA cleavage properties. Furthermore, multidimensional molecular modeling approaches were conducted for better understanding of their biological activities in atomic level.
Co‐pyrolysis of Lotus Pollen and Ammonium Nitrate to Produce Graphene‐Like Porous Carbon with Charge and Mass Transfer Highways for High‐Performance Supercapacitor
Authors: Fu Xiaoqi , Shao Menglin , Guo Yuhan , Liu Xinyu , Li Zian 
Published: December 2022

AbstractBiomass‐derived carbon‐based supercapacitors offer a promising sustainable energy storage strategy for addressing global energy and environmental challenges. Herein, we report the synthesis of a graphene‐like porous carbon by co‐pyrolysis of lotus pollen and ammonium nitrate. During the co‐pyrolysis process, ammonium nitrate could release a large amount of heat, etch the carbon skeleton, reduce the pyrolysis temperature, and create hierarchically porous carbon networks with rich N doping. The hierarchically N‐doped porous structure has an ultra‐large specific surface area (3106 m2 g−1) and an adapted interconnected porous structure, provides highways for charge and mass transfer, leading to a specific capacitance as high as 373.7 F g−1 at 0.5 A g−1 current density. The symmetric solid‐state supercapacitor device exhibits a specific energy density of 53.5 Wh kg−1 at a power density of 640 W kg−1.
5‐Formyluridine and Its Synthetic Applications
Authors: Kumar Sandeep , Kumar Sumit , Arora Aditi , Prasad Ashok K. , Maity Jyotirmoy 
Published: December 2022

AbstractIn recent decades, 5‐formyluridine has drawn attention of the researchers working in the field of nucleic acid chemistry due to its role as key intermediate for the synthesis of modified nucleosides. Numerous efficient and facile synthetic methods have been developed for the synthesis of this molecule and this nucleoside precursor has further been explored for the synthesis of modified nucleosides and nucleotides. These compounds have showed significant biological activities against tumor cell lines, bacterial and viral strains, etc. Herein, a complete account of synthesis of 5‐formyluridine, its application for the synthesis and biological activities is presented.
Deep Characterizations and Rietveld Refinement of Natural Phosphate Mining from Kef Esnoun, Algeria
Authors: Benmerabet Imen , Benrabaa Rafik , Fares Aissat , Fodil Cherif Nawal , Rubbens Pr. Annick , Roussel Pascal 
Published: December 2022

AbstractThe main physico‐chemical properties and the underlying influence of thermal treatment on the phase composition and structural characteristics of the natural phosphate Kef Esnoun region in Djebel Onk, Algeria, are discussed in this work. The primary goal is to increase the natural phosphate value as an alternative material in heterogeneous catalysis. The phase evolution during the heat treatment of the natural phosphate was carried out at different temperatures ranging from 600 to 1000 °C. Several complementary analytical methods were used for their characterization before and after thermal treatments. The obtained results by X‐Ray Diffraction supplemented by the Rietveld method and confirmed by molecular spectroscopy have shown that the raw natural phosphate consists primarily of a fluorapatite‐type structure (Ca5(PO4)3F). Furthermore, high‐temperature X‐ray diffraction and thermal analyses have shown that dolomite which is one of the natural phosphate constituents is fully decomposed into CaO and MgO phases after heating at 700 °C. At 900 °C, the phase composition is (Ca5 (PO4)3F; 98.23 %), (MgO; 1.1 %) and (CaO; 0.67 %) with a crystallite size value of approximately 300 nm. Cell parameters increase with calcination temperatures due to the substitution of carbonate with PO4−3 groups.
The Electrostatic‐Mediated Formation of a Coordination Complex: the Trapping and Release of an Antitumor Drug with an Anthracycline Core from {Mo72Fe30}‐Based Ensembles
Authors: Tonkushina Margarita O. , Grzhegorzhevskii Kirill V. , Ermoshin Alexander A. , Tugbaeva Anastasia S. , Kim Grigory A. , Taniya Olga S. , Gagarin Ilya D. , Ostroushko Alexander A. 
Published: December 2022

AbstractThis article studies the binding of the antitumor drug doxorubicin (DOX) with the nanocluster polyoxometalate (POM) {Mo72Fe30}, the latter serving as the drug carrier. The formation of a stoichiometric complex POM@(DOX)12was observed in aqueous media. Using the Stern‐Volmer technique, we found the binding constant and free Gibbs energy for this interaction. The produced complex POM@(DOX)12was examined with ultraviolet‐visible (UV‐Vis), fluorescence (steady state and life‐time), infrared (IR) and X‐ray photoelectron spectroscopy (XPS), which revealed the stoichiometry of complex and a key role of {Mo3Fe3} host pores on the POM surface to DOX binding. DOX's ability to intercalate into DNA after binding with the {Mo72Fe30} was investigated using a pH typical for blood (7.4). A pH‐dependent release of DOX from POM@(DOX)12was demonstrated (rate constant is 3.3×10−4 s−1). Finally, we showed that the immobilization of doxorubicin on the POM's surface can reduce undesired side effects.