bluuebunny/crossref_metadata_2025_split huggingface dataset:
Subjective well‐being and school outcomes among children of immigrants and natives in Italy
Authors: Ambrosetti Elena , Bettin Giulia , Cela Eralba , Paparusso Angela 
Published: December 2022

AbstractChildren of immigrants are generally disadvantaged in terms of educational outcomes in most European countries and this remains true even after controlling for their socioeconomic status. Factors affecting the long‐term educational careers among children of immigrants and natives have been broadly investigated in the literature, although limited attention has been paid so far to the role of subjective well‐being in this context. In this paper, we aim to fill this gap by analyzing how subjective well‐being in the school and family context is related to objective school outcomes of immigrant and native children residing in Italy, after controlling for several relevant socio‐demographic factors. We use rich and unique data from the ‘Integration of the Second Generation’ survey carried out by the Italian National Institute of Statistics (ISTAT) in 2015, that has not been used to analyse this relationship so far. The national representative sample includes 68,127 students interviewed in both lower and upper secondary schools. Around 47% of them are immigrant children without Italian citizenship. Our results show that subjective well‐being is positively correlated with school performance, but well‐being at school is much more important for immigrant students’ achievements, as compared to their native peers, especially in the lower secondary school. The same result does not hold for well‐being in the family domain.
Predicting changes in the pharmacokinetics of CYP3A‐metabolized drugs in hepatic impairment and insights into factors driving these changes
Authors: Ladumor Mayur K. , Storelli Flavia , Liang Xiaomin , Lai Yurong , Enogieru Osatohanmwen J. , Chothe Paresh P. , Evers Raymond , Unadkat Jashvant D. 
Published: December 2022

AbstractPhysiologically based pharmacokinetic models, populated with drug‐metabolizing enzyme and transporter (DMET) abundance, can be used to predict the impact of hepatic impairment (HI) on the pharmacokinetics (PK) of drugs. To increase confidence in the predictive power of such models, they must be validated by comparing the predicted and observed PK of drugs in HI obtained by phenotyping (or probe drug) studies. Therefore, we first predicted the effect of all stages of HI (mild to severe) on the PK of drugs primarily metabolized by cytochrome P450 (CYP) 3A enzymes using the default HI module of Simcyp Version 21, populated with hepatic and intestinal CYP3A abundance data. Then, we validated the predictions using CYP3A probe drug phenotyping studies conducted in HI. Seven CYP3A substrates, metabolized primarily via CYP3A (fraction metabolized, 0.7–0.95), with low to high hepatic availability, were studied. For all stages of HI, the predicted PK parameters of drugs were within twofold of the observed data. This successful validation increases confidence in using the DMET abundance data in HI to predict the changes in the PK of drugs cleared by DMET for which phenotyping studies in HI are not available or cannot be conducted. In addition, using CYP3A drugs as an example, through simulations, we identified the salient PK factors that drive the major changes in exposure (area under the plasma concentration–time profile curve) to drugs in HI. This theoretical framework can be applied to any drug and DMET to quickly determine the likely magnitude of change in drug PK due to HI.
Mass spectrometric study and modeling of the thermodynamic properties of SrO–Al2O3 melts at high temperatures
Authors: Stolyarova Valentina L. , Vorozhtcov Viktor A. , Lopatin Sergey I. , Selyutin Artem A. , Shugurov Sergey M. , Shilov Andrey L. , Stolyarov Vasiliy A. , Almjashev Vyacheslav I. 
Published: December 2022

RationaleThe SrO–Al2O3 system holds promise as a base for a wide spectrum of advanced materials, which may be synthesized or applied at high temperatures. Therefore, studying vaporization and high‐temperature thermodynamic properties of this system is of great practical importance.MethodsSamples of the SrO–Al2O3 system were obtained by solid‐state synthesis and identified by X‐ray fluorescence analysis, X‐ray phase analysis, scanning electron microscopy, electron probe microanalysis, simultaneous thermal analysis, and thermogravimetric analysis. The thermodynamic properties of the SrO–Al2O3 system were studied by the Knudsen effusion mass spectrometric (KEMS) method and were fitted by the Redlich–Kister and Wilson polynomials. The thermodynamic values obtained were also optimized within the generalized lattice theory of associated solutions (GLTAS).ResultsThe vapor composition, temperature, and concentration dependences of the partial vapor pressures over the samples under study as well as the SrO activities in melts of the SrO–Al2O3 system were determined by the KEMS method. Usage of the Redlich–Kister and Wilson polynomials allowed calculation of the excess Gibbs energies, enthalpies of mixing, and excess entropies in the concentration range 0–33 mol% of SrO at temperatures of 2450 and 2550 K.ConclusionsSignificant negative deviations from the ideality were observed in the melts of the SrO–Al2O3 system at 2450, 2550, and 2650 K. The Wilson polynomial was found to be the optimal approach to describe the thermodynamic properties in the system studied. Optimization of the experimental data using the GLTAS approach allowed the characteristic features of the thermodynamic description of the SrO–Al2O3 system to be elucidated and explained.
Mitochondrial function of human embryo: Decline in their quality with maternal aging
Authors: Hashimoto Shu , Morimoto Yoshiharu 
Published: December 2022

AbstractBackgroundFemale fertility declines with age, due to increased chromosomal aneuploidy and possible reduced mitochondrial function in the embryo.MethodsThis review outlines how mitochondrial function in human embryos, as predicted from oxygen consumption rate (OCR) measurements, changes in preimplantation stage, and what factors, particularly maternal age, affect mitochondrial function in embryos.Main findingsThe structure of the mitochondrial inner membrane and its respiratory function developed with embryo development, while the copy number of mitochondrial DNA per specimen was transiently reduced compared with that of the oocyte. The undifferentiated state of the inner cell mass cells appears to be associated with a low OCR. In contrast, the copy number of mitochondrial DNA increased in trophoblast cells and mitochondrial aerobic metabolism increased.The OCRs at morulae stage decreased with maternal age, but there was no relationship between maternal age and the copy number of mitochondrial DNA at any stages. The higher oxygen spent at the morula stage; the shorter time was needed for development to the mid‐stage blastocyst.ConclusionsThe mitochondrial respiratory function of human embryos developed along with embryonic growth. Mitochondrial function at morula stage declined with their maternal age and reduced mitochondrial function decreased the rate of development from morula to blastocyst.
Upper Elementary Teachers' Knowledge of Reading Comprehension, Classroom Practice, and Student's Performance in Reading Comprehension
Authors: Hudson Alida K. 
Published: December 2022

ABSTRACTWhile the conceptual link between teachers' knowledge of reading‐related concepts and student reading outcomes is widely acknowledged in the field, few studies have empirically examined this correlation regarding student reading comprehension. Thus, the present study investigated the association between upper elementary teachers' (N = 103) knowledge of reading comprehension, classroom instruction, and students (N = 1871) reading comprehension scores. Using a series of Hierarchical Linear Models to control for the nested nature of the data, findings revealed a significant interaction between teacher knowledge and classroom instruction. Specifically, students provided with good to excellent instruction by teachers with high knowledge (i.e., 1 standard deviation [SD] above the mean) tended to score statistically significantly higher on measures of reading comprehension than students provided the same quality of instruction by teachers with low knowledge levels (1 SD below the mean), controlling for students' grade level and the percentage of schoolwide students participating in the free and reduced‐price school lunch program. These observed statistically significant associations were small to moderate in magnitude. These findings help validate theoretical accounts alluding to the critical role teachers' knowledge plays in moderating student reading outcomes.
The role of permaculture in the integration of indigenous and modern agricultural knowledge: Evidence from Konso, Ethiopia
Authors: Gashute Tariku Sagoya , Hale Tefera Kagnalew 
Published: December 2022

AbstractThe modern and indigenous agricultural knowledge have own strength and deficiencies. The modern agriculture with its technological advents has the capability for boosting production. However, it has environmentally hostile externalities. On the other hand, IK of agriculture is nature friendly and organic in its production. However, it is slow to meet the growing need for food because of demographic stress and emerging preferences. Therefore, both sides need innovative responses to capitalize on their strength and avoid limitations. One of the alternatives is to integrate the two systems. Based on this rationale, this study explored the integrative role of permaculture in bridging indigenous and modern agricultural knowledge. Purposive sampling was applied for the selection of the research area and participants. The research approach followed was qualitative. Interview, FGD and observation were used for data collection. Thematic and narrative analysis was used for data analysis. The finding of the study indicated that farmers in the study area were receptive of some of the knowledge from modern agriculture such as improved seeds and some methods such as pest control. But at the same time they are suspicious about some sides such as the impact of fertilizers, the effectiveness of some improved seed, and concerned about the disappearance of important local seeds. Though it was not deeply implemented those who have the exposure were positive about permaculture, for its philosophy is consistent with their IK. Therefore, if properly implemented permaculture can play important bridging role in the integration of indigenous and modern farming.
β‐amino carbonyl derivatives: Synthesis, Molecular Docking, ADMET, Molecular Dynamic and Herbicidal studies.
Authors: Bhandari Suneeta , Agrwal Akansha , Kasana Virendra , Tandon Shishir , Boulaamane Yassir , Maurady Amal 
Published: December 2022

AbstractIn the current report, 3D structures of the enzyme Lathyrus aphaca Ribulose bisphosphate carboxylase (LArbcL) was modeled using homology modeling. The structures of the synthesized β‐amino carbonyl derivatives were made by means of “Chem Draw ultra‐12.0”, ADMET prediction were conducted to compute physicochemical properties. Pharmacokinetics studies and the molecular docking study of the synthesized compounds were performed against Lathyrus aphaca Ribulose bisphosphate carboxylase. Docking experiments verified a significant Docking Score values between 6.2 to 7.3 kcal mol−1. The highest‐ranking complexes obtained from docking results were subjected to 100 ns Molecular Dynamics simulations using Gromacs program to investigate the constancy of the docked “protein–ligand complexes” as well as the oscillation and conformational variations that occur during protein–ligand interaction. The synthesized derivatives were screened for pre‐emergence and post‐emergence herbicidal activity adjacent to weed species named Lathyrus aphaca with concentrations of “0.005 M, 0.01 M and 0.02 M”, and the activity was compared with Butachlor and penoxulum which are standard herbicide. Every single synthesized compounds show good to moderate activity.
Electrochemical investigation of freshwater biofilm on FTO surface: Oxide film perspective
Authors: Sridharan Dharmarajan , Karthikeyan Chandrasekaran , Maruthamuthu Sundaram , Palaniswamy Narayanan 
Published: December 2022

AbstractThe contemporary field of bacterial biofilm electrophysiology is a greater importance to understanding the interfaces of active biofilm/material. The electrophysiology of freshwater active biofilm was studied using Fluorine‐doped tin oxide (FTO) electrodes. The open circuit potential and microscopic studies were revealed the attachment of biofilm on the FTO surface. The shift of potential to noble direction up to +402 mV vs SCE was observed on the FTO after 240 h exposure of freshwater. The open‐circuit potential (OCP) was revealed the attachment of biofilm on the FTO surface. Cyclic Voltammetry studies were employed to analyze the redox behavior of biofilm on FTO with different time intervals. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) were also used to analyze the electrochemical communications between FTO and biofilm interfaces. The present work was investigated to explain electrochemical interfaces between n‐type oxide film and electro active bacterial biofilm.
Rapid Synthesis of 1‐Aryl‐3, 3‐dimethyltriazenes by Using In Situ Generated Aryldiazonium Tetrafluoroborate Salts with “DMF‐DMA” under Ambient Conditions
Authors: Akkineni Rajesh , Markandeya Sarma V. , Prasad Avvari N. , Yamajala Bhaskar , B Venkateswara Rao , Chaudhari Shankar , Kumar Deepak , Gadge Sandip T. , Bhanage Bhalchandra M. 
Published: December 2022

AbstractAn efficient and rapid method of synthesizing 1–3,3‐dimethyl triazenes has been developed. This method involves utilizing in situ generated aryldiazonium tetrafluoroborate salts using substituted aryl amines with “DMF‐DMA” (N,N‐Dimethylformamide‐dimethyl acetal) at room temperature. This reaction achieved good to excellent yields (68–95 %) under ambient conditions with a significantly faster rate. The proposed reaction was screened with various withdrawing, donating, and neutral groups containing aryldiazonium salts, and obtained products were confirmed by 1H, 13C NMR and mass spectroscopy techniques.
Unnatural Lysines with Reduced Sidechain N‐Basicity: Synthesis of N‐trifluoroethyl Substituted Lysine and Homologs
Authors: Jameson Brian , Glaser Rainer 
Published: December 2022

AbstractThe syntheses are reported of Nϵ‐(2,2,2‐trifluoroethyl)‐D, L‐lysine (tFK) and Nζ‐(2,2,2‐trifluoroethyl)‐D, L‐homolysine (tFK+1) from amino alcohols HO−(CH2)n−NH2. The syntheses involve reductive amination, Appel bromination, and the stereoselective bond formation between Cα of the amino acid and the fluorinated alkyl chain in the Schöllkopf bislactim amino acid synthesis. The methyl esters of the fluorinated amino acids are the relevant substrates for oligopeptide synthesis. With the R‐Schöllkopf reagent, we stereoselectively generated methyl Nϵ‐boc‐Nϵ‐(2,2,2‐trifluoroethyl)‐L‐lysinate and methyl Nζ‐boc‐Nζ‐(2,2,2‐trifluoroethyl)‐L‐homolysinate. Products and intermediates were characterized by 1H NMR, 13C NMR, COSY, HSQC, and LCMS. A variety of N‐functionality may be introduced by reacting hemiacetals with different appendages. This fluorine modification reduces the sidechain N‐basicity by combined ‐I effect of the three fluorines. This effect increases the [amine]/[ammonium ion] ratio of the sidechain amine in lysine to facilitate carbamylation at lower pH conditions.
A Molecular Level Interpretation of the Underlying Chemical Phenomenon of Semi‐coke and Coke Formation: A Treatise from Ab Initio Calculations
Authors: Sen Kaushik , Debnath Tanay , Ghorai Soumitra , Nag Debjani , Dash Pratik S. 
Published: December 2022

AbstractChemistry of coke formation has been subject to a wide array of experimental investigations since the advent of industrial coal carbonization process. Roles of different additives in inducing chemical modifications have been examined in this regard. However, similar computational quantum chemistry calculations attempting to obtain fundamental insights into the plausible molecular mechanism operating during the resolidification steps of semi‐coke and coke formation are elusive. Thus, a rational molecular level understanding pertaining to the evolution of chemical structure during coke formation has not developed likewise. In this context, density functional theory calculations have been employed in the present work to comprehend the plausible molecular mechanism of elementary steps driving the semi‐coke and coke formation. Influence of an additional organic H‐donor species on the mechanism has also been explored to ascertain its participation in coke making. Mechanistic steps involved in semi‐coke formation are found to be crucial in determining the final coke structure. Experimental observations relating to the liberation of H• and also molecular hydrogen (H2) during the generation of semi‐coke structure are well corroborated with our investigated mechanistic features. Overall, the work is believed to offer a molecular level interpretation of a much‐exploited chemical phenomenon.
Fabrication of Thermally Stable Sulfonated Poly(arylene ether sulfone) Containing Sulfonic Acid Based Additives for Proton Exchange Membrane Fuel Cells
Authors: Moxey D'Andra , Devendhar Singh Sanjay Kumar , Plunkett Emily , Moore Robert B. , Arnett Natalie Y. 
Published: December 2022

AbstractA systematic investigations on the effect of sulfonic acid additives for the fabrication of thermally stable sulfonated poly(arylene ether sulfone) (PAES) composites for proton exchange membranes fuel cell applications were carried out. A uniform microstructure containing different concentration (1, 5 and 10 vol.%) of aromatic sulfonic acid additives (aniline‐2‐sulfonic acid (ASA), 3‐aminobenzenesulfonic acid (ABSA) and 3‐amino‐4‐hydroxy‐benzenesulfonic acid (AHBSA)) and biphenol‐based disulfonated poly(arylene ether sulfone) copolymer (PAES) as the matrix were successfully prepared. Phase segregation of the additives with sizes ranging from 1 to 2 μm was confirmed using scanning electron microscopy (SEM). Both thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) confirmed that additive derived PAES were thermally stable up to 400 °C. Proton conductivity of ASA‐PAES membranes was found to increase gradually with ASA concentration. Among all membranes PAES‐10 %ASA exhibited the highest conductivity of 0.123±0.01 S⋅cm−1 at 100 % relative humidity. However, PAES‐1 %ASA and PAES‐10 %ABSA membranes demonstrated the lowest leaching. Water uptake, ion exchange capacity and leaching parameters were correlated to additive concentration. This study will serve as a guide for the fabrication of PAES membranes with high concentration of sulfonated group in the polymer chain with enhanced thermal stability and proton conductivity.
Supramolecular Drug Delivery Systems Based on Host‐Guest Interactions for Nucleic Acid Delivery
Authors: Sabin Christeena , Sam Samanta , Hrishikes A. , Salin Biyatris , Vigneshkumar P. N. , George Jinu , John Franklin 
Published: December 2022

AbstractIn bio‐medical field, one of the most challenging hurdles connected with development of therapeutics is the efficient transport and delivery of drugs to the infected cells of human body. Supramolecular chemistry provides innovative designs for effective biological applications such as drug and gene delivery. In various applications of supramolecular chemistry, macrocyclic molecules such as calixarenes, cyclodextrins, cucurbiturils, and pillar arenes serve as ideal hosts that can bind guest molecules based on the electron density and size of their cavities. This review focuses on the recent advancements in major supramolecular systems such as calixarenes (CA), curcurbiturils (CB), cyclodextrins (CD) and pillar[n] arenes (PAs). Owing to their non‐covalent interactions and adaptive capability, these supramolecular‐based nucleic acid delivery systems provide customized treatment options in cancer therapy. These supramolecular carriers are distinct due to their capacity to functionalize and alter their structure in accordance with the required application. The use of such amphiphilic macromolecules as a carrier for gene transfection have been thoroughly investigated leading to advancements in therapeutic research. The aim of this review is to highlight and showcase the endeavours of utilising supramolecular systems in drug/nucleic acid delivery.
Development and Optimization of Methotrexate Encapsulated Polymeric Nanocarrier by Ionic Gelation Method and its Evaluations
Authors: Verma Rinki , Kumar Manoj 
Published: December 2022

AbstractMethotrexate encapsulated nanocarriers (M‐CNCs) were synthesized via the ionic gelation method and using Taguchi design to optimize the formulation for; size, percent entrapment efficiency (%EE), and percent drug loading (%DL). The M‐CNCs are designed to improve therapeutic efficacy and minimize the side effect of Methotrexate. Various critical factors, such as pH, polymer to a cross‐linker ratio (v/v), and reaction time (h), are considered to investigate their influence on the selected responses during the optimization. The physicochemical properties and morphology of the optimized M‐CNCs were investigated by Dynamic light scattering, Fourier transforms infrared spectroscopy (FTIR), X‐ray diffraction, Thermogravimetric analysis, and High‐resolution transmission electron microscopy. Further, In‐vitro release, stability, pharmacokinetics, and toxicity were studied. The FTIR result revealed the cross‐linking between the drug and polymer. The nanocarrier was found to be stable with spherical morphology and crystalline nature. Optimized formulation shows, Zavg=155 nm, EE=87 %, and D=49 %. The In‐vitro drug release showed a controlled release profile of MTX up to 72 h. Pharmacokinetic evaluation of M‐CNCs in healthy Sprague Dawley rats showed an improvement in plasma drug concentration. Toxicity evaluation by the histology study revealed a healthy organ architecture and the absence of pathological lesions. Overall, the formulated M‐CNCs showed enhanced bioavailability with no toxicity.
Effect of n‐Hexane on the Dielectric and Refractive Properties of Octanoic Acid/tri‐n‐Butylphosphate: A Comparison
Authors: Sahu Rakesh Kumar , Pradhan Sanghamitra , Mishra Sujata 
Published: December 2022

AbstractThe diluent has influence on the intensity and nature of interaction among the constituents during solvent extraction. The physico‐chemical property of the phase where diluent is present required examination for optimizing the extraction conditions. The assessment of extraction efficiency is done on the basis of interaction between extractant and diluent. Densities, dielectric constants, and refractive indices have been measured for the binary mixture of octanoic acid/tri‐n‐butyl phosphate (TBP) with n‐hexane at T=303, 308 and 313 K over the whole constitution range. The dielectric constant, molar polarisation, refractive index and molar refraction values are maximum at 0.7674 mole fraction of octanoic acid and at 0.6577 of tri‐n‐butyl phosphate in binary mixture with n‐hexane. The values were used to further find out the molar polarization, molar refraction, correlation factor and excess Gibbs free energy. The excess values of the different properties were evaluated and fitted to the Redlich‐Kister polynomial equation. Negative values of ϵE were observed for octanoic acid and n‐hexane binary mixture at 308 and 313 K suggesting the dipoles were not aligned. For tri‐n‐butyl phosphate and n‐hexane binary mixture, positive ϵE values indicated the reduced number of aligned dipoles. The correlated motion of dipoles was explained by calculating the g values using Kirkwood‐Frohlich equation with the aid of dielectric and refractive index values of the pure solutes.