bluuebunny/crossref_metadata_2025 huggingface dataset:
Early Magnetic Resonance Imaging to Diagnose Residual Cholesteatoma in Children and Benefit of Radiological Rereview
Authors: Baudouin Robin , Simon François , Levy Raphaël , Breton Sylvain , Alciato Lauranne , Talab Elsa , Leboulanger Nicolas , Couloigner Vincent , Garabedian Erea‐Noël , Denoyelle Françoise
Published: June 2023

Objective

Non‐echo‐planar diffusion‐weighted (DW) magnetic resonance imaging (non‐EPI MRI) is the appropriate sequence to detect residual cholesteatoma. In the child, MRI may be clinically useful to determine the timing of the second‐look procedure. The aim of this paper was to retrospectively evaluate the performance of early MRI (before the 18th postoperative month) in detecting residual cholesteatoma in children after review by experienced specialized neuroradiologists.

Study Design

Retrospective study.

Setting

One university center comparative cohort.

Methods

All patients who had a 2‐staged procedure for cholesteatoma with an MRI before the second stage from 2010 to 2020 were included and analyzed. Three pediatric neuroradiologists reviewed all the images blinded to the surgical result.

Results

N = 141 cholesteatoma events (140 children) were included with a mean age at MRI of 10 (±4) years old. Non‐EPI MRIs were performed 10.7 (±3.8) months after the first‐stage surgery and 2.2 (±2.6) months before the second‐stage procedure. Non‐EPI MRI had a 0.57 sensitivity (SE) and 0.83 specificity (SP). MRI was reviewed in 112 cases. The diagnosis was corrected in 17 cases (15.1%) (3 true positives, 7 false negatives, and 7 false positives). SE = 0.63 (p = 0.1) and SP = 0.92 (p = 0.08) after rereading.

Conclusion

Early MRI's SE is poor but SP is excellent after rereading. Evidence does not support the use of early non‐EPI MRI to modify the surgical strategy or to postpone the second look. If performed, early non‐EPI MRI should be read by specialized experienced radiologists with all 3 sequences (T1, T2, and non‐EPI DW) and apparent diffusion coefficient calculation, especially in cases of otitis media with effusion.
Preparation and UV‐curing properties of rosin‐based allyl phthalate oligomer
Authors: Luo Liping , Bai Xiangyang , Zhou Hongyong , Wang Jiaxi
Published: June 2023

The acid–base stability of UV cured materials is an important issue in the field of material applications. Bio‐based rosin modified diallyl phthalate oligomers (RS‐DAP) with higher hydrophobicity were synthesized by the radical reaction of rosin with diallyl phthalate. The structures of RS‐DAP were confirmed by FT‐IR, 1H NMR and electrospray ionization high resolution mass spectrometry (ESI‐HRMS). The UV‐curing properties of acrylate components containing RS‐DAP were investigated by FT‐ATR. And the effects of RS‐DAP dosage on the double bond conversion of neopentyl glycol diacrylate (NPGDA) and the properties of cured film were evaluated. The results show that the introduction of aromatic rings of DAP and the rigid structure of rosin moiety can improve the UV curing rate, gelation ratio, hardness, and chemical resistance of cured film. The composition of RS‐DAP resin with acrylate monomer and RJ313 resin can be 3D printed into specimen with smooth surface, good precision, good thermal stability, hardness of 6 H, and 93% of gel content.
Frequency and deflection responses of 3D‐printed carbon fiber reinforced polylactic acid composites: Theoretical and experimental verification
Authors: Kannan Sridharan , Manapaya Apichat , Selvaraj Rajeshkumar
Published: June 2023

In the present study, the vibration and bending characteristics of carbon fiber reinforced 3D printed composites have been investigated using first order shear deformation theory (FSDT). The elastic properties of 3D printed carbon fiber reinforced polylactic acid (PLA) material were examined using the ASTM D638 standard test. From the tested specimens, the fractured surfaces were observed for bonding between layers, fiber‐matrix interfaces, and failures using a field emission scanning electron microscope. The experimental vibration analysis was performed on with and without carbon fiber reinforced 3D printed composites to predict natural frequencies under different boundary conditions. The experimental results is compared with finite element analysis in terms of natural frequencies, and it shows very good agreement for 3D printed composites. Furthermore, parametric analysis is performed to explore the influence of end conditions and aspect ratios on the vibration and bending characteristics of 3D printed carbon fiber reinforced composites.
Purine antimetabolites associated Pneumocystis jirovecii pneumonia
Authors: Lukose Lipin , Shantaram Pawar Mansi , Raj Alan , Nair Gouri , Shaju Aina M. , K. Subeesh Viswam
Published: June 2023

Purpose

To detect the possible safety signal of purine antimetabolites associated with Pneumocystis jirovecii pneumonia through disproportionality analysis in the FDA Adverse Event Reporting System (FAERS) Database.

Methods

A case/non‐case retrospective disproportionality analysis was performed in the publicly available FAERS database using AERSmine (2004Q1–2021Q3). Four models were developed to explore the signal strength of PAs among different populations with possible confounding factors. Reporting odds ratio (ROR) and Proportional reporting ratio (PRR) was used as the data mining algorithm for the analysis. A value of ROR‐1.96SE > 1 and PRR ≥ 2 with an associated X2 value of 4 or more was considered the threshold for a signal.

Results

A total of 7073 reports associated with Pneumocystis jirovecii pneumonia were present in the database, of which 899 reports were associated with purine antimetabolites. A crude signal strength of ROR 15.76(14.70–16.91) was obtained for purine antimetabolites associated PJP, with the highest signal strength reported with fludarabine and thioguanine [ROR 19.63(17.42–22.13); 19.45(13.21–28.63)]. Stratifying the cases based on autoimmune disorders and the cancer population revealed an ROR of 3.33(2.46–4.50) and 2.93(2.26–3.79) respectively. The highest risk of PJP with use of PAs was observed amongst children with a higher risk of nearly 2 times than the adult population [ROR 11.57(9.16–14.62)].

Conclusions

Our study provided evidence on the occurrence of PJP with the use of purine antimetabolites among the autoimmune and cancer population. We identified signals for PJP with azathioprine, mercaptopurine, thioguanine, cladribine, fludarabine, and clofarabine. More research with a superior epidemiological study design of a defined population is required to validate these findings.
Classifying multicenter approaches to invasive mechanical ventilation for infants with bronchopulmonary dysplasia using hierarchical clustering analysis
Authors: Kielt Matthew J. , Hatch L. Dupree , Levin Jonathan C. , Napolitano Natalie , Abman Steven H. , Baker Christopher D. , Eldredge Laurie C. , Collaco Joseph M. , McGrath‐Morrow Sharon A. , Rose Rebecca S. , Lai Khanh , Keszler Martin , Sindelar Richard , Nelin Leif D. , McKinney Robin L. ,   The BPD Collaborative
Published: June 2023

Introduction

Evidence‐based ventilation strategies for infants with severe bronchopulmonary dysplasia (BPD) remain unknown. Determining whether contemporary ventilation approaches cluster as specific BPD strategies may better characterize care and enhance the design of clinical trials. The objective of this study was to test the hypothesis that unsupervised, multifactorial clustering analysis of point prevalence ventilator setting data would classify a discrete number of physiology‐based approaches to mechanical ventilation in a multicenter cohort of infants with severe BPD.

Methods

We performed a secondary analysis of a multicenter point prevalence study of infants with severe BPD treated with invasive mechanical ventilation. We clustered the cohort by mean airway pressure (MAP), positive end expiratory pressure (PEEP), set respiratory rate, and inspiratory time (Ti) using Ward's hierarchical clustering analysis (HCA).

Results

Seventy‐eight patients with severe BPD were included from 14 centers. HCA classified three discrete clusters as determined by an agglomerative coefficient of 0.97. Cluster stability was relatively strong as determined by Jaccard coefficient means of 0.79, 0.85, and 0.77 for clusters 1, 2, and 3, respectively. The median PEEP, MAP, rate, Ti, and PIP differed significantly between clusters for each comparison by Kruskall–Wallis testing (p < 0.0001).

Conclusions

In this study, unsupervised clustering analysis of ventilator setting data identified three discrete approaches to mechanical ventilation in a multicenter cohort of infants with severe BPD. Prospective trials are needed to determine whether these approaches to mechanical ventilation are associated with specific severe BPD clinical phenotypes and differentially modify respiratory outcomes.
Combustion of 10–100 μm aluminum droplets in detonation products gases
Authors: Kuhl Allen L. , Grote David P. , Springer H. Keo
Published: June 2023

We describe a two‐phase model of combustion effects in aluminized high explosive (HE) charges. It is based on: (i) a Gas Dynamic Model of the expansion of the detonation product gases and their turbulent combustion with air; and (ii) a Heterogeneous Continuum Model of aluminum (Al) droplets and their combustion with the detonation product gases. Initial conditions are based on an analytical similarity solution for a cylindrical Chapman‐Jouguet (CJ) detonation propagating at the CJ detonation velocity. The CJ jump conditions are computed at the thermodynamic equilibrium state by the Cheetah code, assuming the Al droplets are inert. We assume that the Al is 10 % of the charge mass and occurs as droplets at the CJ state. Different initial droplet diameters, ranging from 10 to 100 microns, are studied. A hydrodynamic combustion model based on large Damköhler numbers is employed in this study,
. It has a square‐root dependence on the Reynolds number (Re) and inversed‐squared dependence on the droplet diameter (
). The burnout time (
) of the Al droplets has a three‐halves dependence on the droplet diameter,
. After burnout, the detonation products act as detonation products of the HE charge with active Al. They turbulently mix with air and form a combustion layer on the outer edge of the fireball. Details of the two‐phase model, initial conditions and evolution of the flow field will be described.
Clinical study of analgesia in brachytherapy for cervical cancer
Authors: Liu Mei , Wu Hai‐Yan , Li Jian , Ou Meng‐Yu , Sun Shu‐Fang , Tang Ying , Zhao Xiu‐Juan
Published: June 2023

Objective

This study investigated the analgesic effects in patients with cervical cancer during brachytherapy.

Methods

In this prospective study, 100 patients with cervical cancer who were admitted to Chongqing University Cancer Hospital between July 2021 and April 2022 were randomly divided into an analgesia group (n = 50) and a control group (n = 50). The visual analog scale (VAS) scores at applicator placement‐T1, CT‐scan‐T2, and removal ‐T3, self‐rating anxiety scale (SAS) and self‐rating depression scale (SDS) scores before brachytherapy, short‐term clinical efficacy, and patient satisfaction were compared between the two groups.

Results

The VAS score of the analgesia group was significantly different at T1 (0 vs. 4.34±1.02, t = 67.40, p < 0.001), but not in the control group; however, there was no significant difference between the two groups at T2 (t = ‐0.49, p = 0.623) and T3 (t = ‐0.12, p = 0.912). The SAS and SDS scores first decreased and then increased in the analgesic group and increased in the control group with increasing brachytherapy time. Except for the first measurement, the differences between the two groups were statistically significant (all p < 0.001). The application of interstitial implantation (p = 0.027), local efficacy (p = 0.047), and patient satisfaction rates (p = 0.025) were higher in the analgesic group than in the control group.

Conclusion

Analgesia can relieve pain, maintain physical and mental health, and improve outcomes and patient satisfaction rates for cervical cancer.
Evaluation of the optimal strategy in men with a single unilateral suspicious lesion on MRI undergoing transperineal MRI/ultrasound fusion prostate biopsy
Authors: Yusim Igor , Mazor Elad , Frumkin Einat , Jabareen Muhammad , Hefer Ben , Elsaraya Nimer , Li Sveta , Rouvinov Keren , Novack Victor , Mabjeesh Nicola J.
Published: June 2023

Background

Targeting biopsy (TBx) of suspicious lesions combined with random systematic biopsy (SBx) improves detection rates of prostate cancer (PCa) during magnetic resonance imaging (MRI)/ultrasound (US) fusion prostate biopsy. However, this combination increases the number of biopsy cores, prolongs the procedure time, and increases complications and costs, leading to the overdiagnosis of clinically insignificant PCa (ciPCa). This study aims to evaluate the optimal sampling design to achieve a detection rate of clinically significant PCa (csPCa) equal to standard TBx with SBx with fewer biopsy cores.

Materials and Methods

Of 508 consecutive men who underwent transperineal MRI/US fusion prostate biopsy at our center between January 2020 and December 2022, 364 patients with a single unilateral suspicious lesion on MRI were included in the study. Three biopsy strategies were randomly selected to evaluate the diagnostic accuracy of PCa detection: (1) TBx with ipsilateral SBx, (2) TBx with contralateral SBx, and (3) TBx only. The PCa detection sensitivity for selected biopsy strategies was compared with the reference standards. The significance of differences in cancer detection between sampling schemes was determined using McNemar's test.

Results

PCa was diagnosed in 182 of 364 men using TBx with bilateral SBx. International Society of Urological Pathology grade group (ISUP GG) ≥ 2 and ISUP GG ≥ 3 PCa was detected in 84/364 (23.1%) and 42/364 (11.5%), respectively, while ISUP GG 1 PCa was diagnosed in 98/364 (26.9%). Combining TBx with ipsilateral SBx detected 94.5% of all, 98.8% of ISUP GG ≥ 2, 100% of ISUP GG ≥ 3, and 89.8% of ISUP GG 1 PCa. TBx with contralateral SBx detected fewer csPCa (91.7% vs. 98.8%, p = 0.03), as did TBx alone (90.5 vs. 98.8, p = 0.008).

Conclusions

Our study demonstrates that TBx with ipsilateral SBx performed around the multiparametric MRI‐suspected lesion in transperineal MRI/US biopsy of the prostate achieves a very high detection rate for csPCa (ISUP ≥ 2) without compromising the detection of increased risk PCa (ISUP ≥ 3). In addition, this strategy reduces the number of biopsy cores by 8–10 per patient, procedure time, and pathology processing costs and decreases ciPCa detection.
Synthesis, Characterization, and Electromagnetic Properties of Ba1.8Sr0.2Co2Fe11.9Pr0.1O22/Ti3C2Tx‐MXene Composites
Authors: Mohammed Ibrahim , Mohammed Jibrin , Godara Sachin Kumar , Maji Pradip K. , Kaur Pawandeep , Srivastava Ajeet Kumar
Published: June 2023

Ba1.8Sr0.2Co2Fe11.9Pr0.1O22/Ti3C2Tx‐MXene composites are synthesized with the unique combination of magnetic and conducting components that enhance electromagnetic wave absorption. Ba1.8Sr0.2Co2Fe11.9Pr0.1O22, Ti3C2Tx‐MXene and their composites in a weight ratio of 100:0 (YM1), 75:25 (YM2) and 50:50 (YM3) are synthesized by sol–gel autocombustion, etching process, and mechanical blending, respectively. From the morphology of the composites, Ba1.8Sr0.2Co2Fe11.9Pr0.1O22 particles are confirmed to be well‐integrated with the Ti3C2Tx‐MXene, indicating that the Ba1.8Sr0.2Co2Fe11.9Pr0.1O22 particles are evenly distributed in the Ti3C2Tx‐MXene, leading to homogeneous composites. M–H loop exhibits a saturation magnetization and coercivity of 23.01 emu g−1, 14.87 emu g−1, 12.45 emu g−1, and 87.44 Oe, 94.06 Oe, 102.97 Oe for YM1, YM2, and YM3, respectively. The reflection losses for YM1, YM2, and YM3 are −8.88, −11.64, and −21.39 dB, respectively. The double‐resonance peaks contribute to two magnetic loss peaks in YM3 within a broad frequency range. The higher attenuation constant is observed for YM3 corresponding to a stronger electromagnetic absorption. The improved electromagnetic properties of the composites can be attributed to the synergistic effect between the Ba1.8Sr0.2Co2Fe11.9Pr0.1O22 and Ti3C2Tx‐MXene, which enhances the impedance matching and increases the absorption of electromagnetic waves. These improved electromagnetic properties are important in applications such as electronic devices and communication systems.
Theoretical Study of Some Properties of High‐Temperature Two‐Band Model Iron‐Based Superconductor Ba1−xRbxFe2As2
Authors: Gardew Derejaw , Kahsay Gebregziabher , Negussie Tamiru
Published: June 2023

This work focuses on the theoretical investigations of some properties of high‐temperature two‐band model iron‐based superconductor Ba1−xRbxFe2As2. The mathematical expressions of superconducting parameters are treated by the temperature‐dependent Green's function formalism. The superconducting order parameters of the material for electron, hole bands and for the interband are plotted as a function of temperature. The parameters decrease with increasing temperature and vanish at the superconducting transition temperature (Tc) of Ba1−xRbxFe2As2. The values of the superconducting order parameters and coupling strength in electron intraband, hole intraband, and the electron–hole interband are computed quantitatively. It is found that the pairing potential of Ba1−xRbxFe2As2 increases as a function of temperature. The phase diagrams of temperature‐dependent electron and hole intrabands and density of states versus excitation energy are plotted and it is observed that both decrease as the excitation energy increases. The impacts of temperature, pairing potential, and transitional temperature on condensation energy are also investigated and the results show that condensation energy decreases with the increase of temperature and pairing potential and vanishes at Tc of Ba1−xRbxFe2As2. Furthermore, the density of states is plotted for electron and hole‐intrabands at different temperatures versus excitation energy, and it is perceived that the density of states decreased gradually as the excitation energy increases and vanished at low‐temperature values. The current results are compatible with previous findings.
Exploring the nexus between competition and the sustainable development goals in OECD countries
Authors: Gani Walid
Published: June 2023

In recent years, the OECD has been embroiled in discussions on the role of competition law in achieving the sustainable development goals (SDGs). However, it is crucial to understand whether the SDGs and competition work in harmony or are at odds before devising the best strategies for tackling sustainability challenges in competition laws and policies. For this purpose, this paper aims to empirically explore the interplay between sustainability and competition to fill the gap between economic theory and observed data through a study of a panel of 18 OECD countries from 2000 to 2019. The non‐declining inclusive wealth approach serves as the foundation for our model to evaluate sustainability. The SDG Index, which incorporates the socio‐economic and environmental aspects of sustainability, is used as a gauge of the SDGs' achievement, while the Index of Economic Freedom is used as a proxy for competition. The results of the feasible generalized least squares and panel‐corrected standard errors (PCSE) methods reveal that competition has no effect on the SDGs. Our empirical findings also show that the achievement of the SDGs is positively impacted by per capita gross national income and negatively impacted by population growth. The PCSE method's results indicate that the SDGs are not significantly affected by natural capital depletion, as measured by natural resource rents. Besides, the panel causality analysis confirms the existence of a causal relationship between the SDGs and competition. Our empirical results have two implications. First, they show that competition laws are still far from being an effective tool capable of achieving the SDGs. Second, they drive the competition authorities of OECD countries to devote greater efforts to sustainability‐related issues in the enforcement of competition law.
Experimental design and power calculation in omics circadian rhythmicity detection using the cosinor model
Authors: Zong Wei , Seney Marianne L. , Ketchesin Kyle D. , Gorczyca Michael T. , Liu Andrew C. , Esser Karyn A. , Tseng George C. , McClung Colleen A. , Huo Zhiguang
Published: June 2023

Circadian clocks are 24‐h endogenous oscillators in physiological and behavioral processes. Though recent transcriptomic studies have been successful in revealing the circadian rhythmicity in gene expression, the power calculation for omics circadian analysis have not been fully explored. In this paper, we develop a statistical method, namely CircaPower, to perform power calculation for circadian pattern detection. Our theoretical framework is determined by three key factors in circadian gene detection: sample size, intrinsic effect size and sampling design. Via simulations, we systematically investigate the impact of these key factors on circadian power calculation. We not only demonstrate that CircaPower is fast and accurate, but also show its underlying cosinor model is robust against variety of violations of model assumptions. In real applications, we demonstrate the performance of CircaPower using mouse pan‐tissue data and human post‐mortem brain data, and illustrate how to perform circadian power calculation using mouse skeleton muscle RNA‐Seq pilot as case study. Our method CircaPower has been implemented in an R package, which is made publicly available on GitHub (
https://github.com/circaPower/circaPower).
Synthesis, Biological Evaluation, in silico ADMET and Molecular Docking of new 1,4‐Dihydropyridine Derivatives Bearing Ether Substitution as Calcium Channel Blockers
Authors: Zare Fateme , Hashemi Hakimeh , Hassani Bahareh , Fazel Razieh , Miri Ramin , Sadeghpour Hossein
Published: June 2023

A set of 1,4‐dihydropyridine derivatives were synthesized, possessing methyl or ethyl esters at positions 3 and 5, an aliphatic or aromatic ether group at position 2, and a thienyl ring at position 4. The calcium channel blocking activity of these derivatives was investigated using K+‐induced contraction on the longitudinal smooth muscles of guinea pig ileum (GPILSM). Our findings showed that the derivatives had IC50 ranging from 0.5 to 5.2 μM. Among the synthesized compounds, compound including methoxy group in position 2 and ethyl acetate in positions 3 and 5, with IC50=0.55±0.58 μM was almost comparable to that of nifedipine (IC50=0.27±1.23 μM). The results of docking studies and biological evaluation of synthetic compounds were consistent. According to the physicochemical and drug‐likeness parameters, it is predicted that the synthesized compounds can be a suitable candidate for calcium channel blocking.
Therapeutic Potential of Genistein and its Derivatives as a Target for Anticancer Agents
Authors: Gupta Nidhi , Gupta Sumeet , Kumar Manish , Guarve Kumar , Dhanawat Meenakshi , Sharma Vishal
Published: June 2023

Genistein is a natural isoflavone and a phytoestrogen known to possess broad range of pharmacological properties specifically explored for anticancer effects. The compound is under clinical trials for different types of cancer treatment. Structural modification of genistein has been done to prepare analogs with improved anticancer potential and pharmaceutical properties. Also, novel formulations of genistein have been developed to further improve water solubility and bioavailability for better clinical effectiveness. In the present review, we have summarized the recent available literature on genistein anticancer effects along with mechanism of action and clinical trial studies, reported analogs and novel formulations developed for improving the anticancer efficacy of genistein during the period 2013–2022. Also, the structure activity relationship (SAR) study of reported genistein analogs is described. Further, articles published in this period showed that both genistein and its various derivatives exhibit promising potential for the development of effective chemotherapeutic agents against different types of cancer. Further, the present review will help the researchers in design and development of genistein formulation with desired drug profile.
Preparation of Nanodiamond‐Fucoxanthin and Its Application as a Nanodrug Delivery System
Authors: Dou Yanyu , Yang Tao , Sun Yanyan , Zhao Wei , Zhang Peijuan
Published: June 2023

Nanodiamonds (NDs) are advantageous for targeted cancer treatment with payload medications due to their good biocompatibility. Herein, a nanodrug delivery system, ND‐fucoxanthin (ND‐FX), was generated by combining FX and acyl chloride‐functionalized NDs, which were created by dispersing and surface‐modifying NDs. The structure and characteristics of NDs were examined via X‐ray diffraction, transmission electron microscopy, and Fourier transform infrared spectroscopy. Subsequently, the drug‐loading and ‐release rates of ND‐FX under different pH conditions were calculated using ultraviolet‐visible spectrophotometeric analysis. The drug‐loading rate of the ND‐FX system was 13.17 %; release rate of FX at pH 7.4 and 6.5 was 27.79 % and 54.65 %, respectively; and cumulative release rate of ND‐FX reached 79.98 % over a release duration of 72 h at pH 5.0. Meanwhile, in vitro cytotoxicology experiments demonstrated that ND‐FX effectively inhibited the activity of HeLa and HepG2 cells. These results demonstrate the potential value of NDs in the field of nanodrug delivery applications.
Enhanced Antifungal Activity of Electrosprayed Poly (vinyl alcohol)/Chitosan Nanospheres Loaded with Sage Essential Oil on the Viability of Aspergillus niger and Botrytis cinerea
Authors: Erarslan Azime , Karakas Canan Yagmur , Bozkurt Fatih , Sagdic Osman
Published: June 2023

In this study, sage essential oil (SEO) loaded nanoparticles were tested in terms of their antifungal properties. In this respect, the electrospray method was employed to fabricate SEO‐loaded nanoparticles (SNPs) by encapsulation of different concentrations (0.0, 0.25 %, 0.5 %, and 1 % v/v) of SEO within poly(vinyl alcohol)/chitosan‐based nanoparticles (PVA/Chi NPs). The FTIR, DSC, and SEM analyses divulged that SEO could be successfully encapsulated within nanoparticles, possessing a spherical shape and high thermal stability. The encapsulation efficiency values of SNPs at different concentrations varied between 66.1 and 73.3 %. It was determined that SNPs released 62.56 % of their SEO content within 350 minutes. Moreover, the antifungal activity of SEO against Aspergillus niger and Botrytis cinerea could be increased significantly (p<0.05) after it was encapsulated into PVA/Chi NPs. Based on these findings, suggest that SNPs could be used in food preservation applications as a long‐term and natural preservative given their controlled release properties.
ZnxMg1‐xO Solid Solutions: Efficient Bifunctional Acid‐Base Catalyst for the synthesis of Methyl Ethyl Oxalate from Dimethyl Oxalate and Ethanol
Authors: Wang Hefang , Shao Kai , Jiang Hui , Wang Cui , Ma Xiaofei , Pan Yupeng , Wang Haimeng
Published: June 2023

ZnO‐MgO composite catalysts were prepared by the coprecipitation method and used for the synthesis of methyl ethyl oxalate (EMO) from dimethyl oxalate (DMO) and ethanol (EtOH). The results of the SEM, XRD, FT‐IR and XPS confirmed that Zn2+ ions were incorporated into the cubic MgO lattice to form the solid solution structure over ZnO‐MgO composites catalysts with 6–18 mol% ZnO. The ZnO‐MgO composite catalysts with a solid solution structure have a large specific surface area, high medium acidic density, and medium basic density according to the results of N2 adsorption‐desorption, pyridine‐IR (Py‐IR) and NH3/CO2 temperature‐programmed desorption (NH3‐TPD/CO2‐TPD). The ZnxMg1‐xO solid solution with 18 mol% ZnO‐MgO (Zn0.18Mg0.82O) catalyst showed the highest catalytic activity with 71.98 % conversion of DMO and 67.36 % selectivity to EMO (DMO: EtOH molar ratio=1 : 2, reaction time=20 min, reaction temperature=80 °C and catalyst amount=1.5 wt%). The high catalytic activity was attributed to the solid solution structure with high medium acidic density and medium basic density. The conversion of DMO showed a positive linear correlation with the medium acidic density and medium basic density according to the correlation between catalytic activity and acidity‐basicity.
Exploring the Bicorannulenyl Surface for Alkali Metal Doping: Towards a New NLO Material
Authors: Parveen Azra , Yaqoob Junaid , Ijaz Shahzaib , Baloach Rimsha , Khan Muhammad Usman , Hussain Riaz , Abo‐Dief Hala M. , Alanazi Abdullah K. , El‐Bahy Zeinhom M.
Published: June 2023

Recent years have seen a rise in the importance of designing materials with large nonlinear optical (NLO) responses. Different compounds having large nonlinear optical responses are being extensively studied for their boundless applications in this field. Contributing to this, we are presenting here an attempt to design novel nonlinear optical materials. In this study, alkali metal‐doped bicorannulenyl (C40H38) compounds (Li@Bicora, Na@Bicora, and K@Bicora) are designed and computationally investigated by using DFT calculations. Thermodynamic stabilities of all complexes are evident from their binding energies. A prodigious first hyperpolarizability value is observed after doping the bicorannulenyl with alkali metals. A significantly enhanced hyperpolarizability value (βo=2.68×106 au) is shown by isomer VII of K@Bicora. Other analyses, such as TDOS and PDOS, NBO, QTAIM and NCI, are also performed to investigate the contributions of various systems, charge transfer, and modes of interaction. Absorption analysis has confirmed the transparency in the UV region. This theoretical insight into NLO material‘s prodigious NLO response will serve as a springboard for novel ideas in this area.
Influence of Zinc Salt Concentration on Structured ZnO Composition and Morphology
Authors: Al‐Rasheedi Asmaa , Shalaan Essayed , Hassaneen Ali Abdeldaim , Aida Mohammed Salah
Published: June 2023

In the present work, Zinc oxide nanorods (ZnO NRs) and Simonkolleite (Zn5(OH)8Cl22H2O) nanodisks were successfully prepared hydrothermally using zinc chloride as a zinc source salt. The molarity of the zinc salt was varied to investigate its effect on the structure of the synthesized nanostructures. X‐ray diffraction (XRD), scanning electron microscopy (SEM), UV‐visible optical transmittance, and photoluminescence were used to characterize the synthesized nanostructures. These results suggest that the morphology of the synthesized nanostructures was significantly influenced by the molarity of zinc chloride. We inferred that increasing zinc salt molarity above 0.01 M leads to a pure simonkolleite nanodisks. In contrast, ZnO NRs were formed at low concentrations.
Organocatalytic Decarboxylation of 2‐phenylbutanoic Acid and 1,4‐dicyanobenzene: A DFT Investigation
Authors: Chen Bin , Hou Hongxia , Zhou Dagang , Yang Lijun , Li Rong , Zhou Panpan
Published: June 2023

Mechanisms of photo‐catalytic decarboxylative reaction between 2‐phenylbutanoic acid and 1,4‐dicyanobenzene (1,4‐DCB) have been investigated with the method of M06‐L/ma‐def2‐TZVP in the domain‐decomposition COnductor‐like Screening MOdel (ddCOSMO) of CH3CN. The TDDFT calculations of 1,4‐DCB and 2‐phenylbutanoic acid model have revealed the photo‐excitation and electron transfer process, which could agree with experimental phenomena. The computational results of Gibbs free energy profiles show that the R1+1,4‐DCB model could achieve the decarboxylative reaction under the 300 nm UV light in path c. And paths a and b indicate that HPO42− and K2HPO4 could assist the whole reaction process with lower energy barrier successfully. Results would provide valuable insights into these types of interactions and related ones.
An Off‐On‐Off Benzoxazole‐Based Fluorosensor for Relay Detection of Al3+ Ions and Explosive Nitroaromatic Compounds
Authors: Tohora Najmin , Sultana Tuhina , Mahato Manas , Ahamed Sabbir , Das Sudhir Kumar
Published: June 2023

Developing fluorosensors for the efficient detection of aluminium (Al3+) ions and electron‐deficient nitroaromatic compounds (NACs) is in high demand but challenging. This report introduces a benzoxazole‐based off‐on‐off fluorosensor for the cascade detection of Al3+ ions and electron‐deficient NACs. Upon addition of Al3+ ions, the probe BPMP displays a bright blue fluorescence under the exposure of 365 nm UV light radiation in an H2O/DMSO (1 : 1 v/v) medium due to the chelation of Al3+ ions disrupting the ESIPT process involved in probe BPMP. The detection limit for Al3+ ions is found to be 13 nM, which is significantly lower than many chemosensors available in the literature. The 1 : 1 stoichiometry of the chelated complex between BPMP and Al3+ ions is confirmed by Job′s plot and also by 1H NMR titration investigation. More importantly, the Al3+ ions chelated BPMP complex is further used as a fluorescent turn‐off probe for the detection of electron‐deficient NACs with the detection as low as 10−7 M. Based on these chemically encoded inputs and the corresponding optical output, we have constructed one input and one output based YES, and NOT logic gate with BPMP and BPMP‐Al3+ complex as input respectively and also dual inputs and single optical output‐based INHIBIT logic gates. Also, BPMP‐doped paper strips‐based test kit analysis has been demonstrated as a displayable photonic device for on‐spot detection. The performance of BPMP and Al3+ ions chelated BPMP complex toward Al3+ ions and electron‐deficient NACs demonstrated that BPMP could be served as a sensitive probe and could be employed for real sample analysis.
Vascular Electrical Stimulation with Wireless, Battery‐Free, and Fully Implantable Features Reduces Atherosclerotic Plaque Formation Through Sirt1‐Mediated Autophagy
Authors: Wang Pengyu , Li Manman , Gao Tielei , Fan Jiaying , Zhang Dengfeng , Zhao Ying , Zhao Yajie , Wang Yuqin , Guo Tianwei , Gao Xi , Liu Yujun , Gao Yang , Guan Xue , Sun Xinyong , Zhao Jiyi , Li Hong , Yang Liming
Published: June 2023

Electrical stimulation (ES) is a safe and effective procedure in clinical rehabilitation with few adverse effects. However, studies on ES for atherosclerosis (AS) are scarce because ES does not provide a long‐term intervention for chronic disease processes. Battery‐free implants and surgically mounted them in the abdominal aorta of high‐fat‐fed Apolipoprotein E (ApoE−/−) mice are used, which are electrically stimulated for four weeks using a wireless ES device to observe changes in atherosclerotic plaques. Results showed that there is almost no growth of atherosclerotic plaque at the stimulated site in AopE−/− mice after ES. RNA‐sequencing (RNA‐seq) analysis of Thp‐1 macrophages reveal that the transcriptional activity of autophagy‐related genes increase substantially after ES. Additionally, ES reduces lipid accumulation in macrophages by restoring ABCA1‐ and ABCG1‐mediated cholesterol efflux. Mechanistically, it is demonstrated that ES reduced lipid accumulation through Sirtuin 1 (Sirt1)/Autophagy related 5 (Atg5) pathway‐mediated autophagy. Furthermore, ES reverse autophagic dysfunction in macrophages of AopE−/− mouse plaques by restoring Sirt1, blunting P62 accumulation, and inhibiting the secretion of interleukin (IL)‐6, resulting in the alleviation of atherosclerotic lesion formation. Here, a novel approach is shown in which ES can be used as a promising therapeutic strategy for AS treatment through Sirt1/Atg5 pathway‐mediated autophagy.
A Dual‐Targeting Liposome Enhances Triple‐Negative Breast Cancer Chemoimmunotherapy through Inducing Immunogenic Cell Death and Inhibiting STAT3 Activation
Authors: Luo Kaipei , Yang Lu , Yan Chunmei , Zhao Yuxin , Li Qiuxia , Liu Xing , Xie Long , Sun Qiang , Li Xiaofang
Published: June 2023

Immunotherapy gains increasing focus in treating triple‐negative breast cancer (TNBC), while its efficacy is greatly restricted owing to low tumor immunogenicity and immunosuppressive tumor microenvironment (ITM). Herein, a LyP‐1 and chondroitin sulfate (CS) dual‐modified liposome co‐loaded with paclitaxel (PTX) and cryptotanshinone (CTS), namely CS/LyP‐1‐PC Lip, is engineered for TNBC chemoimmunotherapy via induction of immunogenic cell death (ICD) and inhibition of signal transducer and activator of transcript‐3 (STAT3) activation. CS/LyP‐1‐PC Lip enhances cellular uptake through p32 and CD44 dual receptor‐mediated endocytosis. Within the tumor, the CS layer is continuously detached by hyaluronidase to release drugs. Subsequently, CTS sensitizes the cytotoxicity of PTX to 4T1 tumor cells. PTX induces ICD of tumor cells and facilitates infiltration of cytotoxic T lymphocyte to provoke immune response. Meanwhile, the concomitant delivery of CTS inhibits STAT3 activation to decrease infiltration of regulatory T cell, M2‐type tumor‐associated macrophage, and myeloid‐derived suppressor cell, thus reversing ITM. Markedly, the dual‐targeting liposome shows superior anti‐tumor efficacy in subcutaneous TNBC mice and significant lung metastasis suppression in tumor metastasis model. Overall, this work offers a feasible combination regimen and a promising nanoplatform for the development of TNBC chemoimmunotherapy.
Disentangling the Li‐Ion transport and Boundary Phase Transition Processes in Li10GeP2S12 Electrolyte by In‐Operando High‐Pressure and High‐Resolution NMR Spectroscopy
Authors: Chen Xinchang , Zhang Jinxiao , Zhong Guiming , Ouyang Yimei , Yu Shicheng , Wang Chao , Sun Ke , Liao Xunfan , Kuang Xiaojun , Chen Yiwang , Peng Zhangquan
Published: June 2023

Li‐ion transport and phase transition of solid electrolytes are critical and fundamental issues governing the rate and cycling performances of solid‐state batteries. In this work, in‐operando high‐pressure nuclear magnetic resonance (NMR) spectroscopy for the solid‐state battery is developed and applied, in combination with 6Li‐tracer NMR and high‐resolution NMR spectroscopy, to investigate the Li10GeP2S12 electrolyte under true‐to‐life operation conditions. The results reveal that the Li10GeP2S12 phase may become more disordered and a large amount of conductive metastable β‐Li3PS4 as the glassy matrix in the electrolyte transforms into less conductive phases, mainly γ‐Li3PS4, when high current densities (e.g., ≥0.5 mA cm−2) are applied to the electrolyte. The overall Li‐transport also varies and shows a tendency of boundary phases and Li10GeP2S12 synergistic dominant conduction at high currents. Accordingly, a mechanism of structural change induced by stress variation due to the drastic morphological change during Li‐In alloying at high currents, and the local Li+ diffusion coefficient discrepancy is proposed. These new findings of Li‐ion transport and boundary phase transition in Li10GeP2S12 solid electrolyte under high‐pressure and high current density are first reported and will help provide previously lacking insights into the relationship of structure and performance of Li10GeP2S12.
Carrier Transport Regulation of Pixel Graphene Transparent Electrodes for Active‐Matrix Organic Light‐Emitting Diode Display
Authors: Zhang Dingdong , Du Jinhong , Zhang Weimin , Tong Bo , Sun Yun , Zhao Tian‐Yang , Ma Lai‐Peng , Sun Dong‐Ming , Cheng Hui‐Ming , Ren Wencai
Published: June 2023

Integrating a graphene transparent electrode (TE) matrix with driving circuits is essential for the practical use of graphene in optoelectronics such as active‐matrix organic light‐emitting diode (OLED) display, however it is disabled by the transport of carriers between graphene pixels after deposition of a semiconductor functional layer caused by the atomic thickness of graphene. Here, the carrier transport regulation of a graphene TE matrix by using an insulating polyethyleneimine (PEIE) layer is reported. The PEIE forms an ultrathin uniform film (≤10 nm) to fill the gap of the graphene matrix, blocking horizontal electron transport between graphene pixels. Meanwhile, it can reduce the work function of graphene, improving the vertical electron injection through electron tunneling. This enables the fabrication of inverted OLED pixels with record high current and power efficiencies of 90.7 cd A−1 and 89.1 lm W−1, respectively. By integrating these inverted OLED pixels with a carbon nanotube‐based thin‐film transistor (CNT‐TFT)‐driven circuit, an inch‐size flexible active‐matrix OLED display is demonstrated, in which all OLED pixels are independently controlled by CNT‐TFTs. This research paves a way for the application of graphene‐like atomically thin TE pixels in flexible optoelectronics such as displays, smart wearables, and free‐form surface lighting.
Structural Properties and Surface Modification Decided Pharmacokinetic Behavior and Bio‐Distribution of DNA Origami Frameworks in Mice
Authors: Liu Dunfang , Chen Xiao , Jiang Dawei , Wang Cheng , Xia Qian , Yang Yang
Published: June 2023

This study establishes and validates a series of three dimentional (3D) DNA origami frameworks (DOFs) carrying imaging probes to evaluate their pharmacokinetics and real‐time bio‐distribution in mice. Three typical DOFs with distinguished structural properties are subjected to mice intravenous injection to systematically investigate their in vivo behaviors. Tracing the radioisotope zirconium‐89 (89Zr) trapped at the inner space of the frameworks, positron emission tomography (PET) imaging is employed to record the real‐time bio‐distribution of the structures and acquire their pharmacokinetic parameters in the major metabolic organs. The 3D DOFs show different behavior compared to previous structures, with lower kidney accumulation and higher liver retention. Modifications to the structures, such as exposed ssDNA or polyethylene glycol (PEG) moieties, impact their behavior, but are structure‐dependent. The 43 nm icosahedra framework among the DOFs perform the best in liver targeting, with the ssDNA extensions enhancing this tendency. The modification of triantennary N‐acetylgalactosamine (GalNAc), further improves its uptake in liver cells, especially in hepatocytes over other cell types, discovered by flow cytometry analysis.
Sodium‐Ion Substituted Water Molecule in Layered Vanadyl Phosphate Enhancing Electrochemical Kinetics and Stability of Zinc Ion Storage
Authors: Wu YuanZhe , Zong Quan , Liu Chaofeng , Zhuang Yanling , Tao Daiwen , Wang Jiangying , Zhang Jingji , Zhang Qilong , Cao Guozhong
Published: June 2023

Vanadyl phosphate (VOPO4·2H2O) has been regarded as one of the most promising cathode materials for aqueous Zn‐ion batteries due to its distinct layered structure. However, VOPO4·2H2O has not yet demonstrated the exceptional Zn ion storage performance owing to the structural deterioration during repeated charging/discharging process and poor intrinsic conductivity. In this work, 2D sodium vanadyl phosphate (NaVOPO4·0.83H2O, denoted as NaVOP) is designed as a cathode material for Zn‐ion batteries, in which sodium ions are preinserted into the interlayer, replacing part of water. Benefiting from the in situ surface oxidization, improved electronic conductivity, and increased hydrophobicity, the NaVOP electrode exhibits a high discharge capacity of 187 mAh g−1 at 0.1 A g−1 after activation, excellent rate capability and enhanced cycling performance with 85% capacity retention after 1500 cycles at 1 A g−1. The energy storage mechanism of the NaVOP nanoflakes based on the rapid Zn2+ and H+ intercalation pseudocapacitance are investigated via multiple ex situ characterizations.
Effects of individual strategies for resource access on collaboratively maintained irrigation infrastructure
Authors: Stern Jordan L. , Siddiqi Afreen , Grogan Paul T.
Published: June 2023

Built infrastructure for water and energy supply, transportation, and other such services underpins human well‐being and socioeconomic development. A fundamental understanding of how infrastructure design and user strategies interact can guide important design decisions as well as policy formulation for ensuring long‐term infrastructure viability in conjunction with improved individual user benefits. In this work, an agent based model (ABM) is developed to study this issue for the specific case of irrigation canals. Cooperatively maintained irrigation canals serve essential roles in sustaining agriculture‐based economies in many regions. Canal system design can strongly affect benefits derived by distributed users, regional agricultural output, and the long‐term viability of the shared infrastructure itself. Here, an ABM is used to investigate how an option to use an independent water source interacts with canal design to affect canal maintenance cooperation and farmer income. The independent water source is stylized as a well that provides access to groundwater and represents a strategically robust design option; a design option that reduces the implementer's utility vulnerability to unfavorable actions by other actors. Research in other systems has demonstrated that strategically robust designs can improve both implementer utility and the probability of collaboration. The results of this research, in contrast, demonstrate that the option of individual resource access, the strategically robust design option, as represented by a well, reduces cooperative maintenance in most cases. However, wells also improve farmer income, especially for downstream farmers that are most affected by water theft.
Synergistic use of ultra‐high‐performance fiber‐reinforced concrete (UHPFRC) and carbon fiber‐reinforced polymer (CFRP) for improving the impact resistance of concrete‐filled steel tubes
Authors: Saini Dikshant , Shafei Behrouz
Published: June 2023

Concrete‐filled steel tubes (CFSTs) have received growing attention, owing to their rapid construction, reduced labor requirement, and reasonable material cost. While in service, the CFSTs can be subjected to unexpected impact loads, originating from vehicle and vessel collision, as well as water‐ and wind‐borne debris impact. Such extreme loading events often cause a partial or complete failure of conventional CFSTs, risking the safety and performance of the entire structural systems that rely on them. To address this issue, the current study explores how two advanced composite materials, including ultra‐high‐performance fiber‐reinforced concrete (UHPFRC) and carbon fiber‐reinforced polymer (CFRP), can be utilized to provide superior mechanical properties and minimize the vulnerability of CFSTs to impact loads. The composite materials under consideration are appropriate for both new and existing structures, in which normal‐strength concrete can be replaced with UHPFRC, while CFRP sheets can further strengthen the CFSTs. For obtaining in‐depth insights, a computational framework validated with the experimental tests was developed in the current study. Using a set of representative impact scenarios, various response measures, such as internal forces and deflections, as well as the energy absorbed by the CFSTs, were recorded during impact simulations. The investigations were then further extended to capture the influence of the main design parameters related to concrete, CFRP, and steel tube. From the conducted investigations, an energy absorption index was introduced, as a measure to evaluate the performance of CFSTs under impact loads.
BVA's work highlighted on the global stage
Authors: Shotton Justine , Calpin David
Published: June 2023

BVA Senior Vice President Justine Shotton and BVA CEO David Calpin recently visited Taipei for the International Veterinary Officers Coalition, where they were invited to talk about the impact of BVA's work, and to attend the World Veterinary Association congress.
Make conversations about pay, pay off
Authors: Lacey Hannah
Published: June 2023

It can be difficult to talk about pay, so BVA has created a resource to help support conversations about this tricky topic. Membership and policy project manager Hannah Lacey explains.