bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development of 3D printable cenosphere‐reinforced polyethylene terephthalate glycol (PETG) filaments for lightweight structural applications
Authors: Kumar Jitendra , Negi Sushant 
Published: August 2023

AbstractPresent research evaluates the feasibility of producing polyethylene terephthalate glycol (PETG) filaments reinforced with cenosphere (CS), which have great potential to develop syntactic foam composites (SFC) for several applications, that is, from automotive to aerospace. A melt flow extrusion technique was used to reinforce PETG with different weight fractions (i.e., 0, 10, 20, 30, and 40 wt%) cenosphere, and further, the thermal, mechanical, and physical properties of the prepared feedstocks were investigated in detail. Results indicated that Young's modulus, load‐bearing capacity, and ultimate tensile strength of PETG filament with 40 wt% CS were 1652.1 5 MPa, 76.91 1 N, and 31.97 1 MPa, respectively, which is similar to virgin PETG filament. In addition, the porosity of the CS‐reinforced PETG filaments decreased with increasing concentration of the CS in the PETG matrix. Such cenosphere‐filled filaments possess attractive thermo‐mechanical and physical properties to develop high‐quality SFC through additive manufacturing (AM) routine.Highlights
PETG/cenosphere based 3D printing filaments were developed.
The modulus and strength significantly improved by adding 40% cenosphere.
The porosity decreased with increasing cenosphere weight fraction.
Addition of cenosphere affected water absorption characteristics of filaments.
Machine learning‐assisted study of correlation between post‐transition‐state bifurcation and initial phase information at the ambimodal transition state
Authors: Murakami Tatsuhiro , Kikuma Yuya , Ibuki Shunichi , Matsumoto Naoki , Ogino Kanon , Hashimoto Yu , Takayanagi Toshiyuki 
Published: August 2023

AbstractThe Diels–Alder cycloaddition of cyclopentadiene and nitroethene, the intramolecular cycloaddition between a diene and triene, and the Diels–Alder cycloaddition of 2‐hydroxyacrolein with 1,3‐butadiene involving post‐transition‐state bifurcation (PTSB) were studied. These cycloaddition reactions were investigated using quasi‐classical trajectory (QCT), classical molecular dynamics (MD), ring‐polymer molecular dynamics (RPMD) simulations, and supervised machine‐learning binary classification techniques. Room‐temperature dynamics simulations started from the ambimodal transition state (TS) using the QCT, classical MD, and RPMD methods presented similar dynamics. Binary classification revealed that the initial geometry displacement from the ambimodal TS for the Diels–Alder cycloaddition of cyclopentadiene and nitroethene contributed to the branching dynamics and that the initial momenta for the intramolecular cycloaddition between a diene and triene and the Diels–Alder cycloaddition of 2‐hydroxyacrolein with 1,3‐butadiene played a significant role in the bifurcation dynamics.
Changing cancer mindsets: A randomized controlled feasibility and efficacy trial
Authors: Zion Sean R. , Schapira Lidia , Berek Jonathan S. , Spiegel David , Dweck Carol S. , Crum Alia J. 
Published: August 2023

AbstractObjectiveA cancer diagnosis and subsequent treatment can disrupt the full spectrum of physical, social, emotional, and functional quality of life. But existing psychological treatments are focused primarily on specific psychological symptoms as opposed to improving the overall patient experience. We studied the feasibility and efficacy of a novel digital intervention targeting patient mindsets—core assumptions about the nature and meaning of illness—designed to improve overall health‐related quality of life (HRQoL) in newly diagnosed cancer patients undergoing treatment with curative intent.MethodsRecently diagnosed (≤150 days) adult patients with non‐metastatic cancers undergoing systemic treatment (N = 361) were recruited from across the United States to participate in this decentralized clinical trial. Patients were randomized 1:1 to receive the Cancer Mindset Intervention (CMI) or Treatment as Usual (TAU). Participants in the CMI group completed seven online modules over 10 weeks (2.5 h total) targeting mindsets about cancer and the body. The primary outcome was overall HRQoL, and secondary outcomes were coping behaviors and symptom distress.ResultsPatients in the CMI group reported significant (p < 0.001) improvements in adaptive mindsets about cancer and the body over time. Compared with the TAU condition, the CMI group reported significant improvements in overall HRQoL (B = 0.60; 95% CI 0.34–0.85; p < 0.001), increased engagement in adaptive coping behaviors (B = 0.03; 95% CI 0.02–0.04; p < 0.001), and reduced distress from physical symptoms (B = −0.29; 95% CI −0.44 to −0.14; p < 0.01). Effect sizes of these changes ranged from d = 0.42–d = 0.54.ConclusionA brief mindset‐focused digital intervention was effective at improving physical, social, emotional, and functional HRQoL, increasing adaptive coping behaviors, and reducing physical symptom distress in newly diagnosed cancer patients.
Evaluation of the SIMULRESP: A simulation software of child and teenager cardiorespiratory physiology
Authors: Brossier David , Flechelles Olivier , Sauthier Michael , Engert Catherine , Chahir Youssef , Emeriaud Guillaume , Cheriet Farida , Jouvet Philippe , de Montigny Simon 
Published: August 2023

AbstractBackgroundMathematical models based on the physiology when programmed as a software can be used to teach cardiorespiratory physiology and to forecast the effect of various ventilatory support strategies. We developed a cardiorespiratory simulator for children called “SimulResp.” The purpose of this study was to evaluate the quality of SimulResp.MethodsSimulResp quality was evaluated on accuracy, robustness, repeatability, and reproducibility. Blood gas values (pH, PaCO2, PaO2, and SaO2) were simulated for several subjects with different characteristics and in different situations and compared to expected values available as reference. The correlation between reference and simulated data was evaluated by the coefficient of determination and Intraclass correlation coefficient. The agreement was evaluated with the Bland & Altman analysis.ResultsSimulResp produced healthy child physiological values within normal range (pH 7.40 ± 0.5; PaCO2 40 ± 5 mmHg; PaO2 90 ± 10 mmHg; SaO2 97 ± 3%) starting from a weight of 25−35 kg, regardless of ventilator support. SimulResp failed to simulate accurate values for subjects under 25 kg and/or affected with pulmonary disease and mechanically ventilated. Based on the repeatability was considered as excellent and the reproducibility as mild to good. SimulResp's prediction remains stable within time.ConclusionsThe cardiorespiratory simulator SimulResp requires further development before future integration into a clinical decision support system.
Sonographic assessment of diaphragmatic thickness and excursion to predict CPAP failure in neonates below 34 weeks of gestation: A prospective cohort study
Authors: Gupta Rashi , Bandyopadhyay Tapas , Yadav Bharti , Guleria Munish , Maria Arti 
Published: August 2023

AbstractBackgroundTo evaluate the diagnostic accuracy of sonographic assessment of diaphragmatic dimensions and excursions in predicting Continuous Positive Airway Pressure (CPAP) failure in preterm neonates with respiratory distress.MethodsProspective cohort study among preterm neonates less than 34 weeks of gestation who were hemodynamically stable and either admitted with respiratory distress or who developed respiratory distress shortly after admission to the NICU and having Silverman‐Anderson Score (SAS) ≥ 3/10 were included. We performed sonographic assessment of diaphragmatic dimensions and excursions before and one hour ±30 minutes after application of CPAP. ‘CPAP failure’ was defined as combined outcome of the need of surfactant and/or upgradation of respiratory support within first 72 hours after a trial of CPAP. Clinical parameters and diaphragmatic measurements were compared between CPAP failure and success groups.ResultsOf 62 participants, 20 (32%) failed CPAP. On binomial logistic regression (after adjustment for gestational age and birth weight), initial SAS, higher diaphragmatic excursion (both left and right, before and after CPAP application), lower left hemidiaphragm diaphragmatic thickness fraction (DTF) (before CPAP application) and lower right DTF (after CPAP application) were independent predictors of CPAP failure. However, the receiver‐operating characteristics curves showed that excursions of right and left hemi‐diaphragm both before and after CPAP application, had highest accuracies in predicting CPAP failure (AUC 0.84, 0.80 and 0.86, 0.78, respectively; p < .001).ConclusionDiaphragmatic excursion can be a useful parameter to predict the failure of CPAP in preterm neonates with respiratory distress.
Can a propensity score matching method be applied to assessing efficacy from single‐arm proof‐of‐concept trials in oncology?
Authors: Teng Shu‐Wen , Su Yu‐Cheng , Pallantla Ravikumar , Channavazzala Madhav , Kumar Rukmini , Sheng Yucheng , Wang Hao , Wang Crystal , Tse Archie 
Published: August 2023

AbstractAs a result of the escalating number of new cancer treatments being developed and competition among pharmaceutical companies, decisions regarding how to proceed with phase III trials are frequently based on findings from either single‐arm phase I expansion cohorts or phase II studies that compare the efficacy of the study drug to a standard‐of‐care benchmark derived from historical data. However, even when eligibility criteria are matched, differences in the distribution of baseline patient features may influence the outcome of single‐arm trials in real‐world scenarios. Therefore, novel methods are needed to enhance the accuracy of efficacy prediction from current cohorts relative to historical data. In this study, we demonstrated the feasibility of using the propensity score matching (PSM) method to improve decision making by matching relevant baseline features between current and historical cohorts. According to our findings, utilizing the PSM method may provide a less biased means of comparing outcomes between current and historical cohorts relative to a naïve approach, which relies solely on differences in average outcomes between the cohorts.
Saffron (Crocus sativus) and its constituents for pain management: A review of current evidence
Authors: Pourbagher‐Shahri Ali Mohammad , Forouzanfar Fatemeh 
Published: August 2023

AbstractPain can become a chronic and deliberating experience with a significant burden. In preclinical and clinical studies, Saffron (Crocus sativus L.) has shown analgesic activities. Considering the unsatisfactory results of current therapeutic management for chronic pain conditions, we aimed to review saffron's analgesic activity and underlying mechanisms. Saffron showed antinociceptive activities in formalin‐, carrageenan‐, and capsaicin‐induced experimental pain models. Saffron analgesic activities affected several targets, including ion channels of nociceptors; the adrenergic system and central histaminic system; inhibition of inflammatory pathways, apoptotic pathways, and oxidative stress; regulation of NO pathway, and the endocannabinoid system. Clinical studies showed analgesia of Saffron in rheumatoid arthritis, after‐pain following childbirth, dysmenorrhea, and fibromyalgia. Our literature review showed that saffron can be beneficial as an adjunct therapy to commonly used analgesics in practice, particularly in chronic pain conditions.
An outlook on the target‐based molecular mechanism of phytoconstituents as immunomodulators
Authors: Noor Gazala , Badruddeen  , Akhtar Juber , Singh Bhuwanendra , Ahmad Mohammad , Khan Mohammad Irfan 
Published: August 2023

AbstractThe immune system is one of the essential defense mechanisms. Immune system inadequacy increases the risk of infections and cancer diseases, whereas over‐activation of the immune system causes allergies or autoimmune disorders. Immunomodulators have been used in the treatment of immune‐related diseases. There is growing interest in using herbal medicines as multicomponent agents to modulate the complex immune system in immune‐related diseases. Many therapeutic phytochemicals showed immunomodulatory effects by various mechanisms. This mechanism includes stimulation of lymphoid cell, phagocytosis, macrophage, and cellular immune function enhancement. In addition increased antigen‐specific immunoglobulin production, total white cell count, and inhibition of TNF‐α, IFN‐γ, NF‐kB, IL‐2, IL‐6, IL‐1β, and other cytokines that influenced the immune system. This review aims to overview, widely investigated plant‐derived phytoconstituents by targeting cells to modulate cellular and humoral immunity in in vivo and in vitro. However, further high‐quality research is needed to confirm the clinical efficacy of plant‐based immunomodulators.
Optimal bisections of directed graphs
Authors: Liu Guanwu , Ma Jie , Zu Chunlei 
Published: August 2023

AbstractIn this article, motivated by a problem of Scott [Surveys in combinatorics, 327 (2005), 95‐117.] and a conjecture of Lee et al. [Random Struct. Algorithm, 48 (2016), 147‐170.] we consider bisections of directed graphs. We prove that every directed graph with arcs and minimum semidegree at least admits a bisection in which at least arcs cross in each direction. This provides an optimal bound as well as a positive answer to a question of Hou and Wu [J. Comb. Theory B, 132 (2018), 107‐133.] in a stronger form.
Hypothesis testing procedure for binary and multi‐class F1‐scores in the paired design
Authors: Takahashi Kanae , Yamamoto Kouji , Kuchiba Aya , Shintani Ayumi , Koyama Tatsuki 
Published: August 2023

AbstractIn modern medicine, medical tests are used for various purposes including diagnosis, disease screening, prognosis, and risk prediction. To quantify the performance of the binary medical test, we often use sensitivity, specificity, and negative and positive predictive values as measures. Additionally, the ‐score, which is defined as the harmonic mean of precision (positive predictive value) and recall (sensitivity), has come to be used in the medical field due to its favorable characteristics. The ‐score has been extended for multi‐class classification, and two types of ‐scores have been proposed for multi‐class classification: a micro‐averaged ‐score and a macro‐averaged ‐score. The micro‐averaged ‐score pools per‐sample classifications across classes and then calculates the overall ‐score, whereas the macro‐averaged ‐score computes an arithmetic mean of the ‐scores for each class. Additionally, Sokolova and Lapalme gave an alternative definition of the macro‐averaged ‐score as the harmonic mean of the arithmetic means of the precision and recall over classes. Although some statistical methods of inference for binary and multi‐class ‐scores have been proposed, the methodology development of hypothesis testing procedure for them has not been fully progressing yet. Therefore, we aim to develop hypothesis testing procedure for comparing two ‐scores in paired study design based on the large sample multivariate central limit theorem.
A Green Silver Nanoparticles using Pistachio Wastes for Dyes Degradation Exposing Visible Light and Reduction of 4‐Nitrophenol
Authors: Dahooe Balooch Mina , Naeimi Atena , Iranmanesh Parvaneh , Saeednia Samira 
Published: August 2023

AbstractA simple, green method is described for the synthesis of Silver (Ag) nanoparticles (NPs) from the peel extract of Pistachio. The synthesized particles were characterized using UV‐Vis, FT‐IR spectroscopy, XRD, EDAX, FESEM, and TEM images. The effect of pH of the reaction, time, temperature, and amount of Pistachio peel on the synthesis of AgNPs was evaluated. Unlike other biological methods for NPs synthesis, the uniqueness of our method lies in its appropriate synthesis rates and the ability to tune the nanoparticle size via the used extract in the experiment. AgNPs were used as a heterogeneous photocatalyst for the degradation of eosin Y under visible light. Also, the reduction of 4‐nitrophenol to 4‐aminophenol by AgNPs was investigated and after 15 min this reaction was completed. These results demonstrate a very efficient, cost‐effective, and benign method in the field of synthesis of nanoparticles and catalysis technology development.
Isolation, Modification and Characterization of Cellulose from Corn Husk Waste of Puncak‐Bogor
Authors: Hidayat Rifa Al Razi , Chika Veronika Ariva Asta , Sofyan Muhammad Ihsan , Restu Witta Kartika , Triwulandari Evi , Handayani Aniek Sri , Pramono Edi , Ndruru Sun Theo Constan Lotebulo 
Published: August 2023

AbstractCellulose and its derivatives are important industrial raw materials for their advantages, including abundance, biodegradable, environmentally friendly, biocompatible, and good mechanical and thermal properties. This study aims to isolate and modify cellulose from corn husk waste of Puncak‐Bogor, Indonesia for improving the characteristics and usability of corn husk cellulose. The cellulose of corn husk was isolated with the delignification and bleaching process, by using sodium hydroxide (NaOH) and hydrogen peroxide (H2O2), respectively. The modification of cellulose was carried out using alkaline and etherification stages with monochloroacetic acid (MCA) in an isopropyl alcohol solvent. The presence of a peak at 898 cm−1 on the bleaching product confirmed the β‐(1,4)‐glycosidic bond of pure cellulose, while the peak at 1612.49 cm−1 on the modified cellulose product confirmed the carbonyl group of carboxymethyl cellulose. Cellulose isolated from corn husk has a crystallinity index of 76.4 % (2nd bleaching product), while CMC is 29.97 %. Cellulose (2nd bleaching product) starts to decompose at 271.8 and finishes at 642.63 °C, while CMC shows a lower decomposition temperature of 248.47 and 628.17 °C. Based on the results, it can be concluded that cellulose and CMC from Puncak‐Bogor's corn husk waste were obtained through the isolation method and modification stages in this research, respectively.
Effect of Acid‐Base Properties of Oxide Catalysts on Glycerol Transformation into Diglycerides
Authors: Vlasenko Nina V. , Strizhak Peter E. 
Published: August 2023

AbstractGlycerol oligomerization in a liquid phase was studied over the acid‐base bifunctional catalysts for the following oxides: TiO2, ZrO2, CeO2, binary CeO2−ZrO2 systems, and purely basic oxide MgO. The phase composition and surface area have been estimated by XRD and BET. The acid and basic properties of catalysts have been characterized using the quasi‐equilibrium thermal desorption (QE‐TD) of NH3 (acidity) and CO2 (basicity). Attenuated total reflectance FTIR (ATR‐FTIR) spectroscopy provided qualitative insights into the interactions in the oxide‐glycerol systems. A comparison of catalytic and acid‐base properties of the oxide systems showed that the reaction requires the presence of both acid and base sites in the catalyst. Moreover, the strength of base sites should exceed the strength of acid sites.
Strategies for Targeted Delivery via Structurally Variant Polymeric Nanocarriers
Authors: Chakraborty Gulmi , Meher Minakshi , Dash Sanjay , Rout Rudra Narayan , Pradhan Sibananda , Sahoo Dipanjali 
Published: August 2023

AbstractThe last decade has seen a meteoric rise in studies investigating polymeric aggregates as nanocarriers. When it comes to morphology, size, functionality, and immunostability, polymeric nanocarriers (PNCs) are unparalleled. With characteristics such as large surface area to volume ratio, amphiphilic nano‐environment, non‐toxic components, chemically modifiable composition, external surface alteration potential, uniform particle size, and stimuli‐dependent self‐assembly, PNCs have emerged as strong candidates for therapeutic applications. The article reviews the latest research on different challenges and strategies for targeted drug delivery and shall serve as guide to the researchers in designing site‐specific nanocarriers for application in future. The review systematically discusses the fundamental structural variation of the nanocarriers with emphasis on the influence of chemical alterations and the resulting effects on functionality; addresses the difficulties encountered with modes of administration; target selectivity and stimulus response.
Molecular Interactions between a Flavonoid and Lysozyme: A Spectroscopic, Thermodynamic, and Computational Study
Authors: Mandal Jishu 
Published: August 2023

AbstractTransferulic acid has therapeutic importance hence it is very crucial to understand how this molecule interacts with lysozyme proteins for the purpose of drug design, and evaluation. The study is very helpful for drug pharmacology and the thermodynamic parameters of the polyphenolic compound and this protein interaction which is important for disease encounter and prevention. Here the spectroscopic, thermodynamic, and computational study has been reported as experiments. The CD study of the binding of lysozyme and trans ferulic acid found significant structural stability of the protein. Spectroscopically the UV‐Vis & fluorescence study has shown a substantial shift of absorption spectra in the binding of these two molecules, to confirm the interaction. An ITC experimental study found an affinity of the molecule to protein with a binding constant of Ka having a significant value. The Molecular Dynamics study found details of the geometric posture and main force of binding of TFA molecule upon binding with lysozyme site in PBS buffer at physiological pH value. The complex of lysozyme and trans ferulic acid also proved as a stable conformation by Molecular Dynamics study. In the DSC study, stable interaction of lysozyme and trans ferulic acid is shown upon changing the melting enthalpies and temperatures.
Zinc‐Embedded Porous Organic Framework Catalyzed Synthesis of 2‐Phenyl Benzimidazoles
Authors: Dani Shilpa H. , Gouda Ashrumochan , Verma Ankit , Pratap Umesh R. 
Published: August 2023

AbstractHere we report the synthesis and characterization of a zinc‐loaded melamine‐based porous organic framework as a potential heterogeneous catalyst which is well characterized by FTIR, XRD, FE‐SEM, HR‐TEM, BET analysis etc. The catalytical activity of Zn@MTPOF is deliberated by the reaction of arylaldehydes and 1,2‐phenylenediamine for the synthesis of 2‐aryl‐benzimidazole under very benign reaction conditions. It afforded outstanding yield of the products in minimal time that is 8 to 20 minutes. It can be recycled and reutilized several times without decline in its catalyst activity.
Nature of Chemical Bond in BeF− Anion: A Charge Shift Bond From Electron Density Signatures
Authors: Kalita Amlan J. , Guha Ankur K. 
Published: August 2023

AbstractThe nature of chemical bonding in BeF− anion is investigated quantum mechanically. Topological analyses within the realm of quantum theory of atoms in molecules (QTAIM) and electron localization function (ELF) clearly establish the bonds as having “Charge shift” character. The laplacian of electron density is significantly positive and the basin population is lower with a large covariance, indicating significant charge shift character. Detailed analysis reveals no multiple bonding character in this anion and its heavier analogues.