bluuebunny/crossref_metadata_2025 huggingface dataset:
Ultrasound assessment of diaphragm thickness, contractility, and strain in healthy pediatric patients
Authors: Glau Christie L. , Lin Elaina E. , Conlon Thomas W. , Himebauch Adam S. , Keim Garrett P. , Nishisaki Akira
Published: December 2023

Background

Ultrasound‐based diaphragmatic assessments are becoming more common in pediatric acute care, but baseline pediatric diaphragm thickness and contractility values remain unknown.

Methods

We conducted a prospective, observational study of healthy children aged <18 years undergoing elective surgery. Diaphragm thickness at end‐expiration (Tdi‐exp), thickening fraction (DTF) and excursion were measured by ultrasound during spontaneous breathing and during mechanical ventilation. Diaphragm strain and peak strain rate were ascertained post hoc. Measurements were compared across a priori specified age groups (<1 year, 1 to <3, 3 to <6, 6 to <12, and 12 to <18 years) and with versus without mechanical ventilation.

Results

Fifty subjects were evaluated (n = 10 per age group). Baseline mean Tdi‐exp was 0.19 ± 0.04 cm, DTF 0.19 ± 0.09, excursion 1.69 ± 0.97 cm, strain −10.3 ± 4.9, peak strain rate −0.48 ± 0.21 s−1. No significant difference in Tdi‐exp or DTF was observed across age groups (p > .05). Diaphragm excursion increased with age (p < .0001). Diaphragm strain was significantly greater in the 12–17‐year age group (−14.3 ± 6.4), p = .048, but there were no age‐related differences in peak strain rate (p = .08). During mechanical ventilation, there were significant decreases in DTF 0.12 ± 0.04 (p < .0001), excursion 1.08 ± 0.31 cm (p < .0001), strain −4.60 ± 1.93 (p < .0001), and peak strain rate −0.20 ± 0.10 s−1 (p < .0001) while there was no change in Tdi‐exp 0.18 ± 0.03 cm (p = .25) when compared to baseline values.

Conclusion

Pediatric Tdi‐exp, DTF, and diaphragm peak strain rate were similar across age groups. Diaphragm excursion and strain varied across age groups. All measures of diaphragm contractility were diminished during mechanical ventilation.
A conserved electrostatic membrane‐binding surface in synaptotagmin‐like proteins revealed using molecular phylogenetic analysis and homology modeling
Authors: Chon Nara L. , Tran Sherleen , Miller Christopher S. , Lin Hai , Knight Jefferson D.
Published: December 2023

Protein structure prediction has emerged as a core technology for understanding biomolecules and their interactions. Here, we combine homology‐based structure prediction with molecular phylogenetic analysis to study the evolution of electrostatic membrane binding among the vertebrate synaptotagmin‐like protein (Slp) family. Slp family proteins play key roles in the membrane trafficking of large dense‐core secretory vesicles. Our previous experimental and computational study found that the C2A domain of Slp‐4 (also called granuphilin) binds with high affinity to anionic phospholipids in the cytoplasmic leaflet of the plasma membrane through a large positively charged protein surface centered on a cluster of phosphoinositide‐binding lysine residues. Because this surface contributes greatly to Slp‐4 C2A domain membrane binding, we hypothesized that the net charge on the surface might be evolutionarily conserved. To test this hypothesis, the known C2A sequences of Slp‐4 among vertebrates were organized by class (from mammalia to pisces) using molecular phylogenetic analysis. Consensus sequences for each class were then identified and used to generate homology structures, from which Poisson–Boltzmann electrostatic potentials were calculated. For comparison, homology structures and electrostatic potentials were also calculated for the five human Slp protein family members. The results demonstrate that the charge on the membrane‐binding surface is highly conserved throughout the evolution of Slp‐4, and more highly conserved than many individual residues among the human Slp family paralogs. Such molecular phylogenetic‐driven computational analysis can help to describe the evolution of electrostatic interactions between proteins and membranes which are crucial for their function.
Implementation of quantitative risk and cost–benefit analysis in an aging offshore facility
Authors: Lazuardi Khoir , Kumaraningrum Anggraini Ratih , Hermansyah Heri
Published: December 2023

Riser shutdown valves (SDVs) are installed to isolate hydrocarbon through a subsea pipeline or to protect platforms and personnel from an unintended release of hydrocarbons. Unfortunately, the volume of gas leaking through the SDV is sometimes beyond the predetermined criteria. Therefore, a quantitative risk assessment is needed by conducting cost–benefit analysis (CBA). This is the methodology of this study. First, we carry out a frequency analysis to calculate the frequency of release from an isolatable section using an estimate of the release frequency, event tree analysis, and escalation from consequence modeling. Second, we study the consequences of modeling. Third, we carry out risk analysis and evaluation. Fourth, we do CBA calculation. Fifth, we consider the other perspectives. The results of this study can predict the possibility of riser SDV leakage in offshore facilities during the aging period and optimize operating and investment costs while maintaining safety to reduce the possibility of fire explosions. It poses a challenge because of the complexity of operational systems involving multiple potential contributors and multiple safety measures. The study results show that the probability of fire prediction at SDV with processing facilities increases from 8.10 × 10−09 to 7.93 × 10−05 for the worst case scenario. Case studies show that application of the CBA model can be used to optimize the allocation of safety investments.
Breaking down and building up alpha‐synuclein: An insight on its N‐terminal domain
Authors: Peqini Kaliroi , Attanasio Simone , Feni Lucia , Cappelletti Graziella , Pellegrino Sara
Published: December 2023

Alpha‐synuclein (αSyn) is a small presynaptic protein (14 kDa) that is involved in synucleinopathies including Parkinson's disease (PD). In its native state, the αSyn monomer exists in an unfolded state, and its folding is highly dependent on variations of environmental conditions, mutations and interactions with endogenous and/or exogenous molecules. Recently, there is increasing evidence for a direct interplay between αSyn and microtubules (MTs), whose defects are linked to neurodegenerative diseases, such as PD. Understanding the correlation between αSyn and MTs could be fundamental for the correct comprehension of the undergoing mechanisms of PD. Hence, we chemically synthesized a library of peptides, deriving from both native and PD mutated sequences of the N‐terminal domain of αSyn. Their secondary structure was characterized by circular dichroism and Fourier transform infrared (FTIR) experiments, in order to evaluate the effect of PD mutations. Finally, the kinetics of polymerizing tubulin in vitro in the presence of the peptides was evaluated.
Comparison of probabilistic forecasts of extreme precipitation for a global and convection‐permitting ensemble and hybrid statistical–dynamical method based on equatorial wave information
Authors: Wolf G. , Ferrett S. , Methven J. , Frame T.H.A. , Holloway C.E. , Martinez‐Alvarado O. , Woolnough S.J.
Published: December 2023

Recent work has demonstrated that skilful hybrid statistical–dynamical forecasts of heavy rainfall events in Southeast Asia can be made by combining model forecasts of the phases and amplitudes of Kelvin, Rossby, and westward‐moving Rossby gravity waves with climatological rainfall statistics conditioned on these waves. This study explores the sensitivity of this hybrid forecast to its parameter choices and compares its skill in forecasting extreme rainfall events in the Philippines, Malaysia, Indonesia, and Vietnam to that of the Met Office Global and Regional Ensemble Prediction System (MOGREPS). The hybrid forecast is found to outperform both the global and convection‐permitting ensemble in some regions when forecasting the most extreme events; however, for less extreme events, the ensemble is found more skilful. A weighted blend of the MOGREPS forecasts and the hybrid forecast was found to have the highest skill of all for almost all definitions of extreme event and in most regions. To quantify the influence of errors in the predicted wave state on the skill of the hybrid forecast, the skill of a hypothetical best‐case forecast was also calculated using reanalysis data to specify the wave amplitudes and phases. This best‐case forecast indicates that errors in the forecasts of all wave types reduce the skill of hybrid forecast; however, the reduction in skill is largest for Kelvin waves. The skill in convection‐permitting models is greater than for global models in the regions where Kelvin waves dominate, but the added value of limited‐area high‐resolution forecasts is hampered by the poor representation of Kelvin waves in the parent global model.
Robustness of exponential stability of a class of switched positive linear systems with time delays
Authors: Son Nguyen Khoa , Van Ngoc Le
Published: December 2023

This paper investigates the robustness of exponential stability of a class of positive switched systems described by linear functional differential equations (FDE) under arbitrary switching or average dwell time switching. We will measure the stability robustness of such a system (which is considered as a nominal system) subject to parameter affine perturbations of its constituent subsystems matrices, by introducing the notion of structured stability radius. Some formulas for computing this radius, as well as estimating its lower bounds and upper bounds, are established. In the case of switched linear systems with multiple discrete time‐delays or/and distributed time‐delays, the obtained results yield tractably computable formulas or bounds for the stability radius. The extension of the obtained results to non‐positive systems and the class of multi‐perturbations has been presented. Examples are given to illustrate the proposed method.
Two‐layer leader‐follower optimal affine formation maneuver control for networked unmanned surface vessels with input saturations
Authors: Zhou Bin , Huang Bing , Su Yumin , Wang Weikai , Zhang Enhua
Published: December 2023

This article studies the two‐layer leader‐follower optimal affine formation maneuver (AFM) control problem for multiple unmanned surface vessels (USV). The basic idea of the developed two‐layer control framework is to realize the time‐varying formation for the leader group in advance, and then let the follower USVs agilely respond to the target formation affinely localized by leaders. To realize this goal, a time‐varying formation reference system is first synthesized to describe leaders' target formation in the affine map of the nominal configuration. The reference system is set up by virtual vessel velocity command and unrotated geometric command, which make it possesses an intuitive application structure for operators to plan AFM commands in real‐time sensed surrounding environments. Then, by means of optimized backstepping design and the adaptive dynamic programming technique, actor‐only reinforcement learning controllers are established for USVs in both two layers to realize the optimal target formation tracking objective. For the proposed optimal controllers, the persistent excitation condition that is required by common optimal control schemes is also removed, which endows the presented scheme with lower computational complexity. Finally, theoretical analysis and simulation results illustrate the closed‐loop stability and the effectiveness of the presented scheme.
A flexible multi‐metric Bayesian framework for decision‐making in Phase II multi‐arm multi‐stage studies
Authors: Dufault Suzanne M. , Crook Angela M. , Rolfe Katie , Phillips Patrick P. J.
Published: December 2023

We propose a multi‐metric flexible Bayesian framework to support efficient interim decision‐making in multi‐arm multi‐stage phase II clinical trials. Multi‐arm multi‐stage phase II studies increase the efficiency of drug development, but early decisions regarding the futility or desirability of a given arm carry considerable risk since sample sizes are often low and follow‐up periods may be short. Further, since intermediate outcomes based on biomarkers of treatment response are rarely perfect surrogates for the primary outcome and different trial stakeholders may have different levels of risk tolerance, a single hypothesis test is insufficient for comprehensively summarizing the state of the collected evidence. We present a Bayesian framework comprised of multiple metrics based on point estimates, uncertainty, and evidence towards desired thresholds (a Target Product Profile) for (1) ranking of arms and (2) comparison of each arm against an internal control. Using a large public‐private partnership targeting novel TB arms as a motivating example, we find via simulation study that our multi‐metric framework provides sufficient confidence for decision‐making with sample sizes as low as 30 patients per arm, even when intermediate outcomes have only moderate correlation with the primary outcome. Our reframing of trial design and the decision‐making procedure has been well‐received by research partners and is a practical approach to more efficient assessment of novel therapeutics.
Bayesian hierarchical modeling in interim futility analysis for two parallel clinical trials
Authors: Li Hao , Roy Dooti , Deng Qiqi
Published: December 2023

Incorporating interim analysis into a trial design is gaining popularity in the field of confirmatory clinical trials, where two studies may be conducted in parallel (ie, twin studies) in order to provide substantial evidence per the requirement of FDA guidance. Interim futility analysis provides a chance to check for the "disaster" scenario when the treatment has a high probability to be not more efficacious than the control. Therefore, it is an efficient tool to mitigate risk of running a complete and expansive trial under such scenario. There is no agreement among trial designers that interim analysis should be based on individual study data or pooled data under the twin study scenario. In fact, it is a dilemma for most scientists when specifying the interim analysis strategy at the design stage as the true treatment effects of the twin studies are unknown no matter how similar they are intended to be. To address the issue, we developed a Bayesian hierarchical modeling method to allow dynamic data borrowing between twin studies and demonstrated a favorable characteristic of the new method over the separate and pooled analyses. We evaluated a wide spectrum of the heterogeneity hyperparameters and visualized its critical impact on the Bayesian model's characteristic. Based on the evaluation, we made a suggestion on the heterogeneity hyperparameter selection independent of any a priori knowledge. We also applied our method to a case study where predictive powers of different methods are compared.
Two‐Dimensional BiOBr Nanosheets Coupled with FeOOH Quantum Dots as Composite Photo‐Fenton Catalysts for Organic Pollutant Degradation under Visible Light
Authors: Wang Zhiwei , You Junhua , Li Jingjing , Xu Jingsheng , Li Xuanhao , Duan Mingyi , Zhang Hangzhou
Published: December 2023

FeOOH quantum dots (QDs) were successfully anchored on 2D BiOBr nanosheets as composite photo‐Fenton catalysts by a simple precipitation and impregnation method. Using Rhodamine B (RhB) as an organic dye model, the photo‐Fenton catalytic activity of the composite catalyst was significantly higher than that of BiOBr and FeOOH. Among them, 1.8 % FeOOH/BiOBr has the highest photo‐Fenton catalytic activity. The main reason is that the interface effect between FeOOH and BiOBr can enable photogenerated electrons to rapidly transfer from the surface of BiOBr to FeOOH to participate in the Fe3+/Fe2+ cycle. Meanwhile, the quantum size of FeOOH increases the density of active sites on the surface of the composite catalyst. The influence of external factors on the catalytic activity of the catalyst was also verified. Finally, the electron transfer direction and main active species (h+, ⋅O2−) of the composite catalyst were discussed by electrochemical analysis and radical trapping experiments, and a reasonable catalytic degradation mechanism was proposed.
Synthesis and Anticancer Activity of 1‐(Ethyl/Methyl)‐7‐(p‐Methoxybenzyl Amino) and 7‐Amino‐6‐Fluoroquinolone‐Boron Difluoride Complexes
Authors: Hernández‐López Hiram , Tejada‐Rodríguez Christian Jairo , Leyva‐Ramos Socorro , Pedraza‐Alvarez Alberto , Juárez‐Dorado Eduardo Alejandro , Granados‐López Angélica Judith , López‐Hernández Yamilé , McOnie Sarah L. , Baines Kim M. , López Jesús Adrián
Published: December 2023

Novel 1‐(ethyl/methyl)‐7‐(p‐methoxybenzyl amino) and 7‐amino‐6‐fluoroquinolone‐boron difluoride complexes were synthesized, and their biological activity was studied, comparing the influence of the nature of 7‐substituent as well as N‐1 substituent. The quinolone compounds were characterized by IR, UV‐Vis, 1H, 13C{1H} and 19F{1H} NMR, and mass spectrometry. The antiproliferative effect of the new fluoroquinolone‐boron complexes in breast cancer (BC) derived cell lines MCF‐7 and SKBR‐3 was investigated. Compounds 9 b and 9 a showed antiproliferative in MCF‐7 cells, and 9 b, 11 b, 9 a, 7 a, 7b and 8 a showed similar effects in SKBR‐3 cells. Derivatives with p‐methoxybenzyl amino moieties at C‐7 and an ethyl or methyl group at N‐1 in the fluoroquinolone ring (9 a and 9 b) were the more efficient in both breast cancer cell lines. In addition, an 8‐nitro group to the fluoroquinolone (11 b) improved activity against SKBR‐3 cell proliferation. These compounds represent potential drug candidates for breast cancer treatment.
Functionalized Poly(azulenes) and Their Electrochromic Properties
Authors: Png Zhuang Mao , Seah Kim Kui Georgina Estelle , Chua Ming Hui , Zhu Qiang , Goh Shermin Simin , Xu Jianwei
Published: December 2023

In this work, five 2‐ or 6‐ functionalized azulenes are electropolymerized to form azulene homopolymers. All five poly(azulenes) films exhibited electrochromism, with a two‐stage oxidation corresponding to the formation of the azulenium cation and the polaron, respectively. Electron‐donating groups at the 2‐position of azulene were found to greatly increase the poly(azulenes) film stability, with retention of optical contrast about four times as much as the 6‐alkylazulene analogue. This result demonstrates the potential of azulene functionalization as a strategy to improve the long‐term stability of electropolymerized azulenes, enabling applications in both optoelectronics as well as in ion selective electrodes.
Sodium‐Ion‐Conducting Hydrogel Material: Synthesis, Characterization and Conductivity Studies
Authors: Yadav Shashikant , Kumar Verma Dipendra , Tiwari Rudramani , Kumar Devendra , Parwati Km , Rai Rajshree , Adhikary Pubali , Krishnamoorthi S.
Published: December 2023

Herein we have reported single sodium ion conducting pseudo solid polymer electrolyte material, was synthesized successfully using sodium; 3,4,5,6‐tetrahydroxyoxane‐2‐carboxylate (ALG) and sodium salt of poly (acrylic Acid): SPA in the water as solvent via solution cast technique. This pseudo‐solid polymer material allows Na+ cation transport inside the matrix. The FTIR technique confirmed the appreciable interaction between the sodium alginate and sodium polyacrylate polymer. This amorphous polymer material has good flexibility, tensile strength, and good elasticity which provides a better electrode‐electrolyte interface. The material shows electrical conductivity in the range of 10−5 S/cm at room temperature and 10−4 S/cm at higher temperatures (>40 °C). The material shows electrochemical stability of 2.26 V owing to a very good amount of current density with ≈97 % ionic transport number for the sodium ion. The material shows drift ionic velocity in the range of 10−4 m/s and ionic mobility in the order of 10−6 m2/Vs at room temperature. It shows the matrix ionic diffusivity constant in the order of 10−7 m2/s. It possesses low activation energy for ionic movement inside the matrix of 0.465 eV. The matrix shows the correlated type of hopping. An appreciable amount of capacitance is associated with the matrix with minute electrode contribution.
Synthesis of a Novel Porous Self‐Settling Magnetic Anion Exchange Resin and its Removal Mechanism for Tannic Acid
Authors: Xiao Rui , Wang Aiqi , Hu Jiahao , Long Jiang , Chu Mingming , Ma Baixue , Yan Chuanyong , Feng Li
Published: December 2023

A new porous self‐precipitating magnetic anion exchange resin (CMIET) doped with γ‐Fe2O3 was prepared by suspension polymerisation and characterized by FT‐IR, TGA, SEM, BET, and VSM. An adsorbent with a rough surface porous structure, enriched with a mesoporous strong magnetic self‐absorbent was obtained. A specific surface area of 19.10 m2/g, a pore volume of 0.2045 cm3/g, a pore size of 36.71 nm exchange capacity of 7.81 mmol/g, and an equilibrium adsorption capacity of up to 46.28 mg/g were measured. The effects of contact time, initial concentration, and solution pH were investigated by batch adsorption experiments. In the removal process, the removal rate of TA was up to 95 % at pH=4–7, saturation adsorption was achieved in 30 min, and regeneration time of 120 min could restore the resin activity. The adsorption isotherm of TA on the resin was by the Langmuir model, the adsorption kinetics was by the Pseudo Secondary Kinetic model, and the adsorption process was spontaneous heat absorption. The regeneration experiments showed good reusability of CMIET, a highly efficient and fast magnetic ion exchange resin with a wide range of applications in the aqueous environment.
Synthesis of Copper and Cobalt complexes with a Hydrothermal Method and Their Applications in Antibiological Activity
Authors: Luo Qiongli , Wang Lei , Wu Shuangyan , Zhu Mingchang , Zhang Ying , Lin Lin
Published: December 2023

Two novel 2‐(1,2,4‐triazol‐1‐yl)‐4‐pyridyl acid complexes with Cu(ClO4)2 ⋅ 6H2O and Co(NO3)2 ⋅ 6H2O were synthesised and their biological activities were systematically studied in vitro. The interaction between the complex and DNA was determined by UV spectroscopy, yielding binding constants of 6.63×103 and 6.09×103, respectively. The DNA binding abilities of the complexes were also investigated using fluorescence spectroscopy, showing quenching values of 0.13 and 0.08, respectively. Agarose gel electrophoresis showed that both the copper and cobalt complexes could effectively cleave DNA. In addition, flow cytometry, cell morphology detection, and MTT assays showed that the synthesised complex induced apoptosis The experimental results show that the copper complexes have promising medicinal value as potential anticancer drugs.
Synthesis of a hybrid phase FeCoWO4/g‐C3N4 heterojunction composite for enhanced photocatalytic degradation of MB under visible light
Authors: Kandasamy Murugavel , Vasudevan Vasanthakumar , Thangavelu Pazhanivel , Parasuraman Balaji , Govindasamy Mani , Habila Mohamed A. , Aljuwayid Ahmed M. , Nadesan Kannadasan
Published: December 2023

Recently, the environmental contamination caused by toxic dyes has posed a severe threat to human health. Semiconductor‐based photocatalysis is gaining a lot of attention due to its potential applications in environmental remediation. Herein, photocatalytic reactive FeCoWO4/g‐C3N4 nanocomposites were prepared through a facile route hydrothermal process. The bare FeCoWO4, g‐C3N4 and FeCoWO4/g‐C3N4 nanocomposites possess specific features, including reactive surface sites, improved efficiency of charge transfer, and accelerated separation of photogenerated electron‐hole pairs. As a result, the photocatalytic activity towards methylene blue dye (MB) degradation activity of FeCoWO4/g‐C3N4 nanocomposites is significantly improved. Thus, photocatalysts exhibited the highest degradation activities and could remove 91.5 % of MB dye within 120 minutes of visible light irradiation. The enhanced photocatalytic activity with excellent recyclability shows potential for the practical application of FeCoWO4/g‐C3N4 nanocomposites for wastewater treatment.
A Facile and Effective Method to Strip and Recycle Spent LiFePO4 Cathode Materials
Authors: Mou Zixia , Zhang Yucai , Cai Yanjun , Yao Xiang , Tian Hualing , Kong Qingrong , Su Zhi
Published: December 2023

A facile and highly efficient method was proposed for the separation and regeneration of LiFePO4 (LFP) cathode materials from spent lithium‐ion batteries (LIBs). The optimal separation conditions involved immersing the spent LFP materials in NaOH (0.5 mol/L) solutions at a temperature of 90 °C, with a solid‐liquid ratio of 30 g/L under stirring of 500 rpm. The high separation effect can be attributed to the synergistic action of several factors at the interface. Furthermore, the structure, composition, morphology, and electrochemical performance of the regenerated LFP (D‐LFP) materials at different temperatures were systematically investigated. Notably, the D‐LFP material generated through calcination at 650 °C for 10 h exhibited a initial discharge capacity of 154.4 mAh g−1 at 0.5 C and the capacity retention rate of 97.3 % after 100 cycles. Moreover, a detailed investigation of the kinetics of the separation and regeneration processes was carried out, along with an exploration of the underlying electrochemical mechanism. This idea not only mitigates the harmful impact of waste on both human health and the environment but also realizes the transformation of waste into valuable resource treasure, promoting a greener and more sustainable development of society.
Solvothermal Synthesis of Fe3+‐doped Cu2O Photocatalyst for Norfloxacin Removal from Water
Authors: Liu Zongbin , Yu Xiaojiao , Wang Kai , Yang Fan , Zhang Jian , Zhao Ningning , Wang Tingxia , Niu Jinfen
Published: December 2023

Photocatalytic technology has great potential in water pollution treatment. Prepared Fe3+‐doped Cu2O photocatalyst using solvothermal method successfully in this paper. Analyze and test the prepared samples and study their photocatalytic performance. The prepared samples have high purity and their morphology has undergone changes. By introducing Fe3+, the specific surface area of the sample increases and the absorption of visible light significantly increases. Further research found that the degree of hole separation of photogenerated electrons is obviously improved, this is due to a significant reduction in the surface resistance of the sample. The R2‐Cu2O degradation rate reached 80.5 % and it shows excellent photocatalytic performance.
Preparation of Ordered‐Porous Hydroxyapatite/ β‐Tricalcium Phosphate Composites and Assessment of Sustained Drug‐Release Performance
Authors: Wang Li‐li , Tian Cheng‐yuan , Feng Li‐na , He Xiao‐he , Zhao Zhi‐cheng
Published: December 2023

Hydroxyapatite(HA) has received more and more attention as a drug carrier due to its excellent biocompatibility and bioactivity. However, the poor biodegradability of HA, low drug loading and uncontrollable release rate limits its application. In this paper, in order to study the effect of different HA and tricalcium phosphate (β‐TCP) phase contents on the drug release performance of the composite, co precipitation template method was used to prepare the composite with different Ca/P ratios (1.5~1.63) using polystyrene colloids as templates, and the Ca/P ratio which had the greatest effect on its morphology was selected. With the ibuprofen (IBU) as the drug model, the results showed that the IBU‐loading performance of the composite was significantly better than that of the ordered‐porous pure phase HA. When the Ca/P ratio was 1.5, the composite had the highest adsorption capacity for IBU, reaching 94.5 mg/g. In vitro release tests revealed that IBU release rates from composites with different Ca/P ratios were slower than those from pure‐phase HA in the initial 10 h, and reached the release equilibrium after the subsequent 30 h. Then, when the Ca/P ratio was 1.5, the composite had a cumulative release rate of 86.35 % for IBU. The loading and slow release properties of this ordered porous HA/β‐TCP composite for IBU make it a potential candidate for controlled release of IBU in the future.”
Synthesis of Benzoxepine Derivatives via Two‐Fold Tandem Metathesis
Authors: Kotha Sambasivarao , Mehta Gulazarahind
Published: December 2023

Herein, we report the synthesis of the benzoxepine derivatives via a two‐fold ring rearrangement metathesis (RRM). Using the ring strain as deriving force, we provide a useful approach to assemble the seven‐membered benzo‐oxepine derivatives that are otherwise difficult to realize due to unfavorable entropic reasons. The synthetic route to the RRM products involves the Diels‐Alder reactions, diallylation, and RRM as key steps.
Inclusion and Non‐Inclusion Complexes between Curcumin and β‐Cyclodextrin with High‐Curcumin Loading and Enhanced Aqueous Solubility Obtained by Mechanochemistry
Authors: Cabrera‐Quiñones Neyra Citlali , López‐Méndez Luis José , Guadarrama Patricia
Published: December 2023

In this study, we employ mechanochemistry as an innovative strategy, using a Planetary Mill, to obtain supramolecular structures in the solid state between Curcumin (Cur) and β‐cyclodextrin (βCD), exploring different parameters such as jars and balls material (stainless steel versus zirconium oxide), milling time, as well as the effect on imposing different Cur:βCD molar ratios. Our findings demonstrate that regardless of the milling material used, the same supramolecular interactions between Cur and βCD seem to be promoted. However, depending on the molar ratio, different supramolecular modes are produced resulting in inclusion complexes (ICs) or non‐inclusion complexes (non‐ICs) by a partial or total amorphization of both Cur and βCD. Independently of the type of supramolecular complex obtained (ICs/or non‐ICs), high content of Cur was quantified in all the systems, achieving a Cur content of up to 342 mg per mmol of βCD, along with an enhancement in Cur aqueous solubility. The Cur:βCD 1 : 2 complex showed the highest aqueous solubility (around 10‐times more soluble than milled Cur). In our conditions, the optimum time to form the supramolecular complexes was 60 min. The stability of the complexes was directly related to the extent of encapsulation of Cur inside the βCD cavity.
Fabrication of a Curcumin@Cu‐BTC MOF Smart Anti‐Corrosion Coating for Copper
Authors: Dehghan‐Chenar Sara , Zare Hamid R. , Mohammadpour Zahra
Published: December 2023

The curcumin@Cu(II)‐benzene‐1,3,5‐tricarboxylate metal‐organic framework (Cur@Cu‐BTC MOF) coating, as a pH‐sensitive smart anti‐corrosion coating, has been synthesized by encapsulating Cur, as a green inhibitor, in Cu‐BTC MOF. The characteristics of the coating were investigated by scanning electron microscope (SEM) images, energy dispersive X‐ray spectroscopy (EDS), elemental scattering map, FTIR spectroscopy and X‐ray diffraction (XRD) patterns. Corrosion parameters of Cur@Cu‐BTC MOF smart coating in 3.5 % NaCl corrosive solution were investigated using potentiodynamic polarization (Tafel) plots and electrochemical impedance spectroscopy (EIS). Indeed, curcumin loading into Cu‐BTC MOF makes the coating more compact. The inhibition efficiency of Cur@Cu‐BTC MOF coating is 72.57 %. Also, when curcumin is loaded into Cu‐BTC MOF, its consumption is about 6 times lower than using it directly as an inhibitor. Also, the anti‐corrosion performance of the smart coating was measured in different immersion times in 3.5 % NaCl solution. Using UV‐vis spectrometry, it was found that the synthesized Cur@Cu‐BTC MOF nanocapsules have a loading capacity of 16.6 % for curcumin. Cur@Cu‐BTC MOF acts as a smart coating and responds to the decreasing of the local pH caused by the corrosion reaction. Encapsulated curcumin is released in response to the pH stimuli and acts as a corrosion inhibitor.
Novel Furan and Furo[2,3–d]pyrimidinone Analogues: Cytotoxicity, Antioxidant, and Bleomycin‐Dependent DNA Damage Assessment
Authors: Musbah Tajdida‐imhimmed , Mohammed Noha S. , El‐Mekabaty Ahmed
Published: December 2023

Ethyl 2‐amino‐4,5‐diphenylfuran‐3‐carboxylate (2), a reactive synthon, was successfully used to synthesize a novel series of furan and furo[2,3–d]pyrimidinone analogues by interactions with the proper chemical reagents. With the aid of precise spectroscopic data (FT‐IR, Mass, 1H‐NMR, and 13C‐NMR spectra), the structures of products were clearly established. The cytotoxic results by MTT assay showed that furo[2,3–d]pyrimidinone analogues 4 (IC50=6.1±0.8 & 10.2±2.5 μM), 6 (IC50=9.2±2.1 & 17.8±0.5 μM), 11 (IC50=7.1±0.5 & 9.2±1.8 μM), 12 (IC50=5.4±2.3 & 9.8±1.7 μM), 15 (IC50=5.2±2.0 & 8.8±2.0 μM), 18 (IC50=4.2±2.4 & 10.7±1.8 μM), and 21 (IC50=12.8±1.9 & 18.8±0.9 μM) had strong in vitro cytotoxic activities to inhibit the growth of colorectal carcinoma (HCT‐116), and prostate cancer (PC3) cell lines, respectively. However, their effects on normal lung fibroblast (WI‐38) were weak in comparison to 5‐fluorouracil as a positive control. On the other hand, the biological evaluations supported the presence of strong antioxidant activity for the furo[2,3–d]pyrimidinone analogues 4, 6, 15, 17, and 21 (% inhibition=89.10, 84.16, 82.09, 88.11, and 80.23 %, respectively) when compared to ascorbic acid (88.42 %). It has been proven that the most powerful cytotoxic and antioxidant compounds have a superior protective influence on DNA against bleomycin‐induced damage.
1,10‐Phenanthroline‐Based Octahedra Induced by Protonation of a Nitrogen Atom: Structures and Emission Properties
Authors: Yoshikawa Naokazu , Yamazaki Shoko , Nakaoku Ayane , Manabe Yui , Tohnai Norimitsu , Nakata Eiji , Takashima Hiroshi
Published: December 2023

Although a few metal‐free octahedral compounds based on nitrogen‐containing ligands are known, the realization of mixed ligand compounds remains difficult. To obtain an improved understanding of this class of compounds, two new octahedral compounds, [(tmphenH)(phen)]PF6, and [(tmphenH)(tmphen)]PF6 (where tmphen=3,4,7,8‐tetramethyl‐1,10‐phenanthroline and phen=1,10‐phenanthroline), were synthesized. The relationship between the emission properties, as evaluated using experimental measurements and theoretical calculations, and structures of the protonated compounds was studied. In addition, differences between the atomic charge distributions and geometries in the ground and singlet excited states were investigated using density functional theory calculations. Both [(tmphenH)(phen)]PF6 and [(tmphenH)(tmphen)]PF6 formed hydrogen‐bonded octahedrons in acetonitrile solution, even in the excited state. However, the hydrogen bonding in [(tmphenH)(phen)]PF6 was weak and thermal vibrations decreased the emission intensity. In contrast, the additional methyl substituents in [(tmphenH)(tmphen)]PF6 suppressed thermal vibrations, resulting in a higher emission intensity.
Polaronic Nonlinear Optical Response and All‐Optical Switching Based on an Ionic Metal Oxide
Authors: Yang Yuting , Lau Kuen Yao , Zheng Jingying , Dong Junhao , Wang Lin , Yin Xiaojie , Tong Zhaojing , Qiu Hangkai , Xu Jian , Xiao Weiqiang , Xu BeiBei , Qiu Jianrong , Hosono Hideo , Liu Xiaofeng
Published: December 2023

It has been well‐established that light‐matter interactions, as manifested by diverse linear and nonlinear optical (NLO) processes, are mediated by real and virtual particles, such as electrons, phonons, and excitons. Polarons, often regarded as electrons dressed by phonons, are known to contribute to exotic behaviors of solids, from superconductivity to photocatalysis, while their role in materials’ NLO response remains largely unexplored. Here, the NLO response mediated by polarons supported by a model ionic metal oxide, TiO2, is examined. It is observed that the formation of polaronic states within the bandgap results in a dramatic enhancement of NLO absorption coefficient by over 130 times for photon energies in the sub‐bandgap regions, characterized by a 100 fs scale ultrafast response that is typical for thermalized electrons in metals. The ultrafast polaronic NLO response is then exploited for the development of all‐optical switches for ultrafast pulse generation in near‐infrared (NIR) fiber lasers and modulation of optical signal in the telecommunication band based on evanescent interaction on a planar waveguide chip. These results suggest that the polarons supported by dielectric ionic oxides can fill the gaps left by dielectric and metallic materials and serve as a novel platform for nonlinear photonic applications.
High‐Throughput Study of Amorphous Stability and Optical Properties of Superlattice‐Like Ge–Sb–Te Thin Films
Authors: Hui Jian , Hu Qingyun , Yuan Hongjian , Shi Ruiqian , Huang Xiang , Wu Yuanyuan , Ren Yang , Zhang Zhan , Wang Hong
Published: December 2023

A high‐throughput ion beam sputtering system is used to synthesize compositional gradient superlattice‐like (SLL) thin film libraries of Ge–Sb–Te alloys over the entire phase diagram. The optical properties and structural evolution of the Ge–Sb–Te combinatorial SLL thin film are investigated. A systematic screening over the annealing temperature, annealing time, and modulation period has elucidated the critical factors that affect the stability of the metastable phase and optical properties. It is found that amorphous stability and optical constant are highly dependent on the modulation period and chemical composition of the thin film. This data‐driven approach offers new perspectives for accelerating the development of new materials with excellent optical and amorphous stability and for exploring their mechanisms, by greatly expanding the dataset of Ge–Sb–Te alloys with SLL structures through high‐throughput experiments.
Engineering Phase to Reinforce Dielectric Polarization in Nickel Sulfide Heterostructure for Electromagnetic Wave Absorption
Authors: Liu Yihao , Zhang Huibin , Chen Guanyu , Wang Xiangyu , Qian Yuetong , Wu Zhengchen , You Wenbin , Tang Yi , Zhang Jincang , Che Renchao
Published: December 2023

Engineering phase transition in micro‐nanomaterials to optimize the dielectric properties and further enhance the electromagnetic microwave absorption (EMA) performance is highly desirable. However, the severe synthesis conditions restrict the design of EMA materials featuring controllable phases, which hinders the tunability of effective absorption bandwidth (EAB) and leads to an unclear loss mechanism. Herein, a seed phase decomposition‐controlled strategy is proposed to induct nickel sulfide (NiSx) absorbers with controllable phases and hollow sphere nature. Transmission electron microscopy holography and theoretical calculations evidence that the reconstruction of atoms in phase transition induces numerous heterogeneous interfaces and lattice defects/sulfur vacancies to cause varied work functions and local electronic redistribution, which contributes to reinforced dielectric polarization. As a result, the optimized NiS2/NiS heterostructure enables enhanced EM attenuation capability with a wide EAB of 5.04 GHz at only 1.6 mm, compared to that of NiS2 and NiS. Moreover, the correlation between EAB and NiS phase content is demonstrated as the “volcano” feature. This study on the concept of phase transition of micro‐nanomaterials can offer a novel approach to constructing highly efficient absorbers for EMA and other functionalities.
Operando X‐Ray Diffraction Boosting Understanding of Graphite Phase Evolution in Lithium‐Ion Batteries
Authors: Wang Jinkun , Gao Yun , Liu Jianhong , Liao Hongying , Wang Li , He Xiangming
Published: December 2023

The fast charging/discharging performance of lithium‐ion batteries is closely related to the properties of electrode materials, especially the phase evolution and Li+ diffusion kinetics. The phase evolution and intrinsic properties of an electrode material under different C‐rates can be investigated by applying operando X‐ray diffraction (XRD). In this study, a transmission X‐ray diffractometer is used in operando monitoring the behaviors of NCM811/Graphite pouch cells during charging/discharging at low rate (0.1C) and high rate (2.5C), especially the structure changes, phase evolution, and relaxation of graphite anode. The variations in XRD patterns, as well as and the inconsistency between the state of charge (SOC) of full cells and the SOC of electrodes, are explained based on genetic algorithm and shrinking annuli model. Furthermore, from the perspectives of monitoring and identification of electrode state, structural design of materials and electrodes, and optimization of charging/discharging protocols, practical suggestions for understanding the state and improving the performance of electrodes are proposed.
Macrophage‐Biomimetic Nanoplatform‐Based Therapy for Inflammation‐Associated Diseases
Authors: Qu Ying , Chu Bingyang , Li Jianan , Deng Hanzhi , Niu Ting , Qian Zhiyong
Published: December 2023

Inflammation‐associated diseases are very common clinically with a high incidence; however, there is still a lack of effective treatments. Cell‐biomimetic nanoplatforms have led to many breakthroughs in the field of biomedicine, significantly improving the efficiency of drug delivery and its therapeutic implications especially for inflammation‐associated diseases. Macrophages are an important component of immune cells and play a critical role in the occurrence and progression of inflammation‐associated diseases while simultaneously maintaining homeostasis and modulating immune responses. Therefore, macrophage‐biomimetic nanoplatforms not only inherit the functions of macrophages including the inflammation tropism effect for targeted delivery of drugs and the neutralization effect of pro‐inflammatory cytokines and toxins via membrane surface receptors or proteins, but also maintain the functions of the inner nanoparticles. Macrophage‐biomimetic nanoplatforms are shown to have remarkable therapeutic efficacy and excellent application potential in inflammation‐associated diseases. In this review, inflammation‐associated diseases, the physiological functions of macrophages, and the classification and construction of macrophage‐biomimetic nanoplatforms are first introduced. Next, the latest applications of different macrophage‐biomimetic nanoplatforms for the treatment of inflammation‐associated diseases are summarized. Finally, challenges and opportunities for future biomedical applications are discussed. It is hoped that the review will provide new ideas for the further development of macrophage‐biomimetic nanoplatforms.
Probing the Interfacial Properties of ACIGS Solar Cells with Targeted Proton Irradiation
Authors: Chacon Sergio A. , Khanal Megh N. , Durant Brandon K. , Afshari Hadi , Byers Todd A. , Parashar Mritunjaya , Rout Bibhudutta , Whiteside Vincent R. , Poplavskyy Dmitry , Sellers Ian R.
Published: December 2023

ACIGS solar cells are exposed to targeted radiation to probe the front and back interfaces of the absorber to assess the impact of space environments on these systems. These data suggest ACIGS cells are more radiation‐hard than early CIGS devices likely due to the lower defect densities and more ideal interfaces in the ACIGS system. A combination of J–V and external quantum efficiency measurements indicates some improvement in the performance of the device due to the effects of local heating in the dominant ionizing electronic energy loss regime of proton irradiation that anneal the upper CdS/ACIGS interface. However, nonionizing energy losses at the base of the solar cell also appear to inhibit minority carrier collection from the back of the cell at the ACIGS/Mo interface, which is discussed in terms of defect‐mediated changes in the doping profile, the Ga/Ga+In ratio, and impurity composition after proton irradiation.
Campylobacter species abortion in sheep
Authors: Smith Jasmine , Brzozowska Anna , Dempsey Leanne
Published: December 2023

This focus article was prepared by Jasmine Smith of the APHA Small Ruminant Species Expert Group. Data extraction and analysis was done by Anna Brzozowska of the APHA Surveillance Intelligence Unit and Leanne Dempsey from APHA Thirsk.
Strategic Autonomy Through External Differentiation
Authors: Rieker Pernille , Giske Mathilde T. E.
Published: December 2023

The EU engages extensively with states surrounding the Union. Since its inception, the EU has been successful in creating a network of agreements and institutional relationships with other states, whether they are potential new members of the Union or not. Non-members have been invited to participate in the EU’s internal market; to participate in various decentralised agencies; or to enter trade, partnership, or association agreements with the Union. These are all parts of what we have previously referred to as the “broader area” of European foreign and security policy. While Chapter 4 explored EU cooperation with third countries in relation to security and defence, this chapter takes a broader perspective on EU foreign and security policy, looking instead at EU-third country cooperation in a wider variety of policy fields. Building on the framework presented in Chapter 2, it explores DI beyond the Union, and how the EU and European states together, through a wider network of European cooperation and DI, are contributing to increased European strategic autonomy. As far as vertical differentiation, also known as “deepening,” is concerned with the formal member states and the transfer of power from the national to the European level of governance, this is of limited relevance to a discussion of deeper integration between the EU core and non-members. Horizontal DI, or “widening,” however, is concerned with the territorial and normative expansion of EU policies, and is therefore of greater relevance. The discussion below looks at both bilateral and multilateral agreements between the EU and various associated non-members, among them the EFTA states, the UK, Turkey and other candidate countries, as well as institutional frameworks and membership of non-EU members in various decentralised agencies.
Diagnosing of Valuing and Decision-Making Competencies in Biology Lessons
Authors: Ternieten Malte , Elster Doris
Published: December 2023

Valuing and decision-making competencies in the context of Education for Sustainable Development (ESD) play an important role in the national educational standards (NBS) of biology. Secondary level students should be prepared to recognize and evaluate biological facts, and justify their own or others’ opinions. To reach these goals, in close cooperation with teachers and researchers, a 6-h teaching lesson in the ESD context about the topic “peatland protection” was developed, tested, and optimized in three cycles in the period from 2016 to 2020. In total, 181 students (95 ♀ | ♂ 86, Ø age: 14,5) participated in the investigation. The study was conducted according to the Design-Based-Research (DBR) approach. In close cooperation with seven teachers, a competence model for the diagnosis of learners’ written statements about socio-scientific issues in the ESD context was developed. As a central result, a theory-based and empirically validated competence grid was developed, evaluated, and optimized. In addition to linguistic aspects, this so-called PARS model considered the thematically relevant ESD dimensions (Ternieten, Elster, Diagnosis and promotion of decision-making competence of students with methods of internal differentiation in biology lessons. In: Gómez Chova L, López Martínez A, Candel Torres I (eds.) EDULEARN20 proceedings. 12th international conference on education and new learning technologies, Palma, Spain, 6–7 July 2020 (pp 1413–1422). IATED Academy, Valencia. https://doi.org/10.21125/edulearn.2020, 2020). The central results of the teacher interviews prove that the PARS model (diagnose grid) can be classified as a practical tool for diagnosing student performance in the context of ESD.