bluuebunny/crossref_metadata_2025_split huggingface dataset:
Surface‐modified mesoporous silica nanorods for the highly aging resistance rubber through controlled release of antioxidant
Authors: Luo Yang , Wang Jun‐Peng , Cui Xurui , Fu Ye , Li Guo Liang , Wang Wencai 
Published: June 2021

The migration and blooming of antioxidant molecules in the field of anti‐aging rubber is a challenge, where developing novel nanocarriers loaded with antioxidant molecules can solve the above problem. In this article, the surface thiol functionalized mesoporous silica nanorods loaded with antioxidant N‐(1,3‐dimethyl)butyl‐N′‐phenyl‐p‐phenylenediamine (MSN‐SH‐4020) was synthesized to avoid the blooming of antioxidants and then to improve the anti‐aging performance of styrene‐butadiene rubber (SBR). The migration of antioxidant molecules could be limited by encapsulating antioxidant in the pore of mesoporous silica nanorods, and the contend of antioxidant in the SBR reaches up to 1.33 wt%. The sustained release of antioxidant molecules from the pore increases the effective time of action of the antioxidant. After 168 hours of thermal oxidative aging test at 100°C, styrene‐butadiene rubber with 10 wt % surface thiol functionalized mesoporous silica nanorods loaded with 4020 (MSN‐SH‐4020) shows preservation of mechanical properties without blooming. This approach is highly perspective in many applications, such as long‐life sealing rubber and conveyor belts.
Spherical versus prolate spheroidal particles in biosciences: Does the shape make a difference?
Authors: Gadzinowski Mariusz , Mickiewicz Damian , Basinska Teresa 
Published: June 2021

AbstractIn this mini‐review, the main differences between spherical and spheroidal particles in terms of their size, surface area, morphology, and ability to penetrate biological membranes are described. The main routes of manufacturing of prolate spheroidal particles with controlled aspect ratio are reported. There are also shown exemplary results of computational and experimental studies of spheroids useful in biomedical applications, such as controlled drug delivery and numerical studies of the passage of spheroids through biological membranes. The relations of shape, size, aspect ratio of spheroidal particles and particle–biological membrane interactions, bioavailability, and flow in blood vessels are presented. The perspectives for future studies leading to resolve crucial problems and to explain basic issues related to acting of ellipsoidal particles in biological environment are also discussed.
Mathematical analysis to predict tensile strength of banana/glass hybrid polymer composite
Authors: Jariwala Hitesh , Jain Piyush 
Published: June 2021

AbstractThis article presents a mathematical model to predict the tensile strength of banana/glass hybrid polymer composites. Equivalent fiber surface efficiency factor and fiber waviness factor have been introduced in the proposed model and their effects on tensile strength have been discussed. The hybrid composites were fabricated with the different proportions of volume fraction of each of the glass fibers and banana fibers keeping the total volume fraction (VF) of combined fibers from 20% to 50%. The tensile test of hybrid composites was carried out as per ASTM D3039. The proposed model has been tested versus experimental results as well as the literature results, which shows quite good approximation of tensile strength. The proposed model is generalized and can be applied to any hybrid reinforced composites with the combination of low‐elongated and high‐elongated fibers with varying fiber loading.
Using administrative healthcare database records to study trends in prescribed medication dispensed during pregnancy in Belgium from 2003 to 2017
Authors: Larcin Lionel , Lona Murielle , Karakaya Güngör , Van Espen Alexis , Damase‐Michel Christine , Kirakoya‐Samadoulougou Fati 
Published: June 2021

AbstractPurposeThe aim of this study was to describe trends in medication prescriptions dispensed during pregnancy in Belgium using administrative healthcare database records from a representative sample of the Belgian population.MethodsPregnant women were identified with reimbursement codes associated with the delivery of a baby. Data were extracted for three study periods, each over 3 years: 2003–2005, 2009–2011, and 2015–2017. The age‐standardized prevalence of dispensed medications during pregnancy were computed and logistic regression models were used to evaluate the trends in prevalence across the study periods. The most frequently dispensed medications were listed for each study period.ResultsThe study included 23 912 pregnancies. The age‐standardized prevalence of pregnant women with at least one dispensed medication increased across the three study periods from 81.8.% to 89.3%. The median number and interquartile range of the different medications dispensed during pregnancy rose from 2 (1–6) to 3 (1–7) between the first and last study periods. In the 2015–2017 period, the most frequently dispensed medications during pregnancy included progesterone (25.5%), paracetamol (17.8%), and amoxicillin (17.1%). The data also showed an increasing trend for the dispensation of ibuprofen and ketorolac during pregnancy across the three study periods.ConclusionsThe prevalence of prescribed medications dispensed during pregnancy increased in Belgium from 2003 to 2017 with high proportion for Progesterone and Antibiotics. Utilization of certain nonsteroidal anti‐inflammatory drugs (NSAIDs) increased between 2003 and 2017, despite recommendations to avoid them.
School racial‐ethnic discrimination, rule‐breaking behaviors and the mediating role of trauma among Latinx adolescents: Considerations for school mental health practice
Authors: Meléndez Guevara Ana Maria , White Rebecca M. B. , Lindstrom Johnson Sarah , Nair Rajni L. , Roche Kathleen M. 
Published: June 2021

AbstractMuch of the literature linking adversity to trauma fails to account for racialized experiences, including racial‐ethnic discrimination, which is a highly prevalent form of adversity for youth of color in the U.S. Adversity and trauma often result in students experiencing elevated rule‐breaking behaviors, exacerbating existing racial‐ethnic disparities in disproportionate school discipline. Drawing from race‐based trauma theory, the present study explored trauma as a mediator of the longitudinal association between racial‐ethnic discrimination from teachers, other adults, and students in schools and rule‐breaking behaviors among Latinx youth. Data were from a longitudinal study of 547 Latinx students in a southeastern U.S. state. Across gender and nativity groups, school racial‐ethnic discrimination and trauma positively predicted later rule‐breaking behaviors. Additionally, for girls only, increased levels of trauma partially explained the association between school racial‐ethnic discrimination and rule‐breaking behaviors. The study highlights the importance of addressing school racial‐ethnic discrimination and trauma in equitable school metal health systems. Indeed, efforts aimed at reducing disproportionate school discipline among Latinx students should focus on reducing their exposure to school racial‐ethnic discrimination and increasing access to trauma‐informed and restorative justice approaches.
Academic major satisfaction and regret of students in different majors: Perspectives from Self‐Determination Theory
Authors: Hsu Yawen , Chi Yi‐hsuan 
Published: June 2021

AbstractThe purpose of this study is to understand the differences in the academic motivation of students majoring in physical education (PE), fine arts, music, and other disciplines, and the effect of academic motivation on major satisfaction and regret. A total of 898 valid questionnaires were collected from students at five universities in Taiwan, including 203 PE, 207 fine arts, 201 music, and 287 other majors (including Social science and Science, Technology, and Engineering). All participants completed questionnaires measuring motivation, academic major satisfaction, and decision regret. The results revealed that the intrinsic motivation of students in PE, fine arts, and music majors was significantly higher than those in other majors. Furthermore, major satisfaction was positively correlated with intrinsic motivation and identified regulation and negatively correlated with external regulation and amotivation. The opposite was true for the relationship between regret and the various motivation types. The research findings can serve as a reference for career counseling in related departments.
Entropy‐based distance cutoff for protein internal contact networks
Authors: Sobieraj Marcin , Setny Piotr 
Published: June 2021

AbstractProtein structure networks (PSNs) have long been used to provide a coarse yet meaningful representation of protein structure, dynamics, and internal communication pathways. An important question is what criteria should be applied to construct the network so that to include relevant interresidue contacts while avoiding unnecessary connections. To address this issue, we systematically considered varying residue distance cutoff length and the probability threshold for contact formation to construct PSNs based on atomistic molecular dynamics in order to assess the amount of mutual information within the resulting representations. We found that the minimum in mutual information is universally achieved at the cutoff length of 5 Å, irrespective of the applied contact formation probability threshold in all considered, distinct proteins. Assuming that the optimal PSNs should be characterized by the least amount of redundancy, which corresponds to the minimum in mutual information, this finding suggests an objective criterion for cutoff distance and supports the existing preference towards its customary selection around 5 Å length, typically based to date on heuristic criteria.
Synthesis, in vitro bioassays, and computational study of heteroaryl nitazoxanide analogs
Authors: Ahmed Tasmia , Rahman S. M. Abdur , Asaduzzaman Muhammad , Islam Abul Bashar Mir Md. Khademul , Chowdhury A. K. Azad 
Published: June 2021

AbstractAntiprotozoal drug nitazoxanide (NTZ) has shown diverse pharmacological properties and has appeared in several clinical trials. Herein we present the synthesis, characterization, in vitro biological investigation, and in silico study of four hetero aryl amide analogs of NTZ. Among the synthesized molecules, compound 2 and compound 4 exhibited promising antibacterial activity against Escherichia coli (E. coli), superior to that displayed by the parent drug nitazoxanide as revealed from the in vitro antibacterial assay. Compound 2 displayed zone of inhibition of 20 mm, twice as large as the parent drug NTZ (10 mm) in their least concentration (12.5 µg/ml). Compound 1 also showed antibacterial effect similar to that of nitazoxanide. The analogs were also tested for in vitro cytotoxic activity by employing cell counting kit‐8 (CCK‐8) assay technique in HeLa cell line, and compound 2 was identified as a potential anticancer agent having IC50 value of 172 µg which proves it to be more potent than nitazoxanide (IC50 = 428 µg). Furthermore, the compounds were subjected to molecular docking study against various bacterial and cancer signaling proteins. The in vitro test results corroborated with the in silico docking study as compound 2 and compound 4 had comparatively stronger binding affinity against the proteins and showed a higher docking score than nitazoxanide toward human mitogen‐activated protein kinase (MAPK9) and fatty acid biosynthesis enzyme (FabH) of E. coli. Moreover, the docking study demonstrated dihydrofolate reductase (DHFR) and thymidylate synthase (TS) as probable new targets for nitazoxanide and its synthetic analogs. Overall, the study suggests that nitazoxanide and its analogs can be a potential lead compound in the drug development.
Global analysis of the seasonal abundance of the invasive pest Drosophila suzukii reveal temperature extremes determine population activity potential
Authors: Ørsted Michael , Lye Jessica , Umina Paul A , Maino James L 
Published: June 2021

AbstractBACKGROUNDThe global pest spotted winged drosophila (Drosophila suzukii) continues to have a significant economic impact on fruit production in areas where it is established, in addition to newly invaded ranges. Management activities spanning national biosecurity responses to farm‐scale pest control are limited by the inability to predict the timing and severity of seasonal outbreaks of D. suzukii and its climatic drivers.RESULTSHere, we compiled and analysed data on international seasonal abundances for D. suzukii under different climates, crop types and management contexts to improve the predictability of seasonal population dynamics. In relating seasonal abundances to environmental predictors, specifically temperature, we found strong negative effects of exposure to high and low temperatures during the preceding month. Unlike most regional studies on D. suzukii phenology that focus on temperature in the physiological development range, we show that thermal extremes better explain seasonal population fluctuations.CONCLUSIONAlthough trap catches remain an indirect measure of infestations and must be interpreted carefully in terms of crop risk, our results should support monitoring programmes through enhanced knowledge of the climatic factors affecting D. suzukii population activity. The negative impact of high temperatures suggests that late‐season management strategies focusing on manipulating crop microclimates to temperatures above 25 °C can reduce D. suzukii abundance. We show that early season abundance is modulated by climate, particularly the depth of cold extremes experienced in the preceding time interval. These associations may be further developed into early‐season crop risk forecasts to support monitoring programs. © 2021 Society of Chemical Industry.
Preparation of thermosensitive buprofezin‐loaded mesoporous silica nanoparticles by the sol–gel method and their application in pest control
Authors: Yang Jinghan , Feng Jianguo , He Kangli , Chen Zhiyang , Chen Wang , Cao Hongen , Yuan Shuzhong 
Published: June 2021

AbstractBACKGROUNDEnvironmental stimuli‐responsive release is one important way to reduce the dosage of pesticide, increase the usage efficiency and improve environmental compatibility.RESULTSOn this basis, we synthesized mesoporous silica nanoparticles (MSNs) and modified them to develop a thermosensitive pesticide controlled release formulation (CRF). In this study, MSNs prepared by the sol–gel method were used as the core, poly (N‐IsoPropylAcrylaMide) [P (NIPAM‐MAA)] was used as the shell, and buprofezin (Bup) was loaded by adsorption. The prepared Bup@MSNs@P(NIPAM‐MAA) could effectively prevent the degradation of buprofezin under UV light and exhibited excellent adhesion to rice leaves. The bioassay results showed that the mortality of Nilaparvata lugens (Stål) treated by Bup@MSNs@P(NIPAM‐MAA) was positively correlated with temperature, resulting mainly from the change of release amount of buprofezin caused by temperature variation. Bup@MSNs@P(NIPAM‐MAA) had long duration (20 days) for controlling N. lugens, and did not hinder the growth of rice. Meanwhile, Bup@MSNs@P(NIPAM‐MAA) had low toxicity to zebrafish and human pneumonocyte BEAS‐2B cells.CONCLUSIONThis novel thermosensitive pesticide CRF can be applied widely to other insecticides, thus greatly promoting the development of intelligent pesticide formulations. © 2021 Society of Chemical Industry.
Application of physiologically based biopharmaceutics modeling to understand the impact of dissolution differences on in vivo performance of immediate release products: The case of bisoprolol
Authors: Macwan Joyce S. , Fraczkiewicz Grace , Bertolino Mauro , Krüger Phillip , Peters Sheila‐Annie 
Published: June 2021

AbstractMerck KGaA observed slight differences in the dissolution of Concor® (bisoprolol) batches over the years. The purpose of this work was to assess the impact of in vitro dissolution on the simulated pharmacokinetics of bisoprolol using in vitro–in vivo relationship established with available in vitro dissolution and corresponding plasma concentrations‐time data for several bisoprolol batches. A mechanistic absorption model/physiologically based pharmacokinetics model linked with a biopharmaceutics tool such as dissolution testing, namely, physiologically based biopharmaceutics modeling (PBBM), can be valuable in determining a dissolution “safe space.” A PBBM for bisoprolol was built using in vitro, in silico, and clinical data. We evaluated potential influences of variability in dissolution of bisoprolol batches on its clinical performance through PBBM and virtual bioequivalence (BE) trials. We demonstrated that in vitro dissolution was not critical for the clinical performance of bisoprolol over a wide range of tested values. Based on virtual BE trials, safe space expansion was explored using hypothetical dissolution data. A formulation with in vitro dissolution reaching 70% dissolved in 15 min and 79.5% in 30 min was shown to be BE to classical fast dissolution of bisoprolol (>85% within 15 min), as point estimates and 90% confidence intervals of the maximum plasma concentration and area under the concentration‐time curve were within the BE limits (0.8–1.25).
PK/PD modeling of FXI antisense oligonucleotides to bridge the dose‐FXI activity relation from healthy volunteers to end‐stage renal disease patients
Authors: Willmann Stefan , Marostica Eleonora , Snelder Nelleke , Solms Alexander , Jensen Markus , Lobmeyer Maximilian , Lensing Anthonie W. A. , Bethune Claudette , Morgan Erin , Yu Rosie Z. , Wang Yanfeng , Jung Shiangtung W. , Geary Richard , Bhanot Sanjay 
Published: June 2021

AbstractIONIS‐FXIRX (BAY2306001) is an antisense oligonucleotide that inhibits the synthesis of coagulation factor XI (FXI) and has been investigated in healthy volunteers and patients with end‐stage renal disease (ESRD). FXI‐LICA (BAY2976217) shares the same RNA sequence as IONIS‐FXIRX but contains a GalNAc‐conjugation that facilitates asialoglycoprotein receptor (ASGPR)‐mediated uptake into hepatocytes. FXI‐LICA has been studied in healthy volunteers and is currently investigated in patients with ESRD on hemodialysis. We present a model‐informed bridging approach that facilitates the extrapolation of the dose‐exposure‐FXI relationship from IONIS‐FXIRX to FXI‐LICA in patients with ESRD and, thus, supports the selection of FX‐LICA doses being investigated in patients with ESRD. A two‐compartment pharmacokinetic (PK) model, with mixed first‐ and zero‐order subcutaneous absorption and first‐order elimination, was combined with an indirect response model for the inhibitory effect on the FXI synthesis rate via an effect compartment. This PK/pharmacodynamic model adequately described the median trends, as well as the interindividual variabilities for plasma drug concentration and FXI activity in healthy volunteers of IONIS‐FXIRX and FXI‐LICA, and in patients with ESRD of IONIS‐FXIRX. The model was then used to predict dose‐dependent steady‐state FXI activity following repeat once‐monthly doses of FXI‐LICA in a virtual ESRD patient population. Under the assumption of similar ASGPR expression in patients with ESRD and healthy volunteers, doses of 40 mg, 80 mg, and 120 mg FXI‐LICA are expected to cover the target range of clinical interest for steady‐state FXI activity in the phase IIb study of FXI‐LICA in patients with ESRD undergoing hemodialysis.
Effects of curcuminoids on inflammatory and oxidative stress biomarkers and clinical outcomes in critically ill patients: A randomized double‐blind placebo‐controlled trial
Authors: Zahedi Hoda , Hosseinzadeh‐Attar Mohammad Javad , Shadnoush Mahdi , Sahebkar Amirhossein , Barkhidarian Bahareh , Sadeghi Omid , Najafi Atabak , Hosseini Saeed , Qorbani Mostafa , Ahmadi Arezoo , Ardehali Seyed Hossein , Norouzy Abdolreza 
Published: June 2021

Experimental studies have suggested the beneficial effects of curcuminoids as natural polyphenols against traumatic brain injury (TBI). The aim of this study was to investigate the effects of supplementation with curcuminoids on inflammatory and oxidative stress biomarkers, clinical outcomes and nutritional status in critically ill patients with TBI. A total of 62 ICU‐admitted adult patients with TBI were randomly allocated to receive either a daily dose of 500 mg curcuminoids or matched placebo via enteral nutrition for 7 consecutive days based on stratified block randomization by age and sex. Inflammatory and oxidative stress as well as clinical outcomes and nutritional status of the patients were measured at baseline and at the end of the study. There were no overall group effects regarding to all dependent variables. Compared with baseline, serum levels of IL‐6, TNF‐α, MCP‐1 and CRP were significantly reduced in patients receiving curcuminoids (p < .05) without any significant changes in placebo group; however, changes in the activities of GPx and SOD in serum were not significant between two groups. Moreover, APACHEII and NUTRIC score were significantly improved following curcuminoids consumption in comparison with placebo (p < .05). The findings of this study suggest that short‐term supplementation with curcuminoids may have beneficial effects on inflammation, clinical outcomes and nutritional status of critically ill patients with TBI.
Assessment of bias in carbon isotope composition of organic leaf matter due to pre‐analysis milling methods
Authors: Worne Savannah , Lacey Jack H. , Barr Cameron , Schulz Cameron , Leng Melanie J. 
Published: June 2021

RationaleStable isotope analysis of leaf material has many applications including assessment of plant water‐use efficiency and palaeoclimatology. To facilitate interpretations of small shifts in the carbon isotope composition (δ13C) of leaves, accurate and repeatable results are required. Pre‐sample homogenisation is essential to ensure a representative sample is analysed, but can also introduce error.MethodsWe investigate how different grinding methods (freezer‐milling and ball‐milling) affect the carbon content and δ13C of tree leaves from a wetland in Queensland, Australia, commenting on how increased temperature, sample contamination, sample loss or poor homogenisation may impact results.ResultsNo alteration of leaf δ13C is observed due to different milling methods, although there may be a significant increase in %C of samples processed using ball‐milling.ConclusionsWe suggest %C variability is possibly due to contamination from abraded plastic vials or insufficient homogenisation during ball‐milling, with no significant impact on δ13C. Overall, we suggest that intermittent ball‐milling may be the best solution to reduce costs, preparation time and use of liquid nitrogen, aiming to achieve complete homogenisation using the shortest possible duration of milling.