bluuebunny/crossref_metadata_2025 huggingface dataset:
‘Research is the last thing on our minds, we are in crisis’: Experiences of Lagos state nurses towards research and scholarly endeavours
Authors: Akingbade Oluwadamilare , Eniola Oluwadara , Sulaiman Adesina A. , Adesuyi Emmanuel O. , Ilesanmi Esther B. , Adesokan Zainab O. , Ogunlowo Bose C. , Akinokun Rafiat T. , Oviri Emmanuel , Eze Chioma J. , Ayodele Bolanle O.
Published: August 2023

Aim

To explore the experiences of Nigerian nurses in research and scholarly endeavours.

Design

Descriptive phenomenological qualitative study design.

Method

In‐depth interviews were conducted among 30 nurses until data saturation was reached. Data were analysed using the thematic analysis method, and consolidated criteria for reporting qualitative research guidelines (COREQ) were adhered to in reporting this study.

Results

Three themes emerged: (1) challenges of nurses with research; (2) the state of nursing research in Lagos state; (3) strategies to improve the state of nursing research in Lagos state. Some challenges nurses in Lagos State encounter with research include heavy workload and nursing shortage due to brain drain, faulty research foundation, lack of continuing education in research and the stressful nature of conducting research in Lagos.

Conclusion

As research is essential in addressing healthcare challenges, policymakers are encouraged to employ more nurses to reduce the workload and provide time for research activities. Training and continuing education in research can be incorporated into professional development programmes. Lagos State will benefit from nursing research units in the hospitals, and a coordinating centre for the units should be provided with adequate funding. Support could be obtained from the Institute of Nursing Research Nigeria in establishing these structures. Hospital management should embrace and welcome research output from nurses and ensure such results are implemented to improve patients' care. Nurses who excel in research might be recognised with awards and other incentives to inspire their peers.
Philanthropy during COVID‐19: Learnings and recommendations for philanthropic organizations navigating crisis
Authors: Hampton DeeAndria , Wiepking Pamala , Chapman Cassandra , McHugh Lucy Holmes , Arnesen Daniel , Carrigan Cathie , Feit Galia , Grönlund Henrietta , Hrafnsdóttir Steinunn , Ivanova Natalya , Katz Hagai , Kim Sung‐Ju , Kristmundsson Ómar H. , Litofcenko Julia , Mersianova Irina , Neumayr Michaela , Pessi Anne Birgitta , Scaife Wendy , Sivesind Karl Henrik , Vamstad Johan , Yang Yongzheng
Published: August 2023

This practice paper articulates the key learnings for philanthropic organizations based on their experiences of the COVID‐19 pandemic. Which actions can philanthropic organizations take to best support community needs during times of crisis? To answer this question, we synthesize information about how philanthropic organizations responded during the early COVID‐19 crisis (spring―fall 2020) across 11 countries: Australia, Austria, Finland, Germany, Iceland, Israel, Norway, Sweden, the Republic of Korea, the Russian Federation, and the United States of America. Results indicate four key actions that we recommend philanthropic organizations take during times of crisis: (1) Assess community needs; (2) engage with volunteers and donors; (3) communicate effectively and strategically with volunteers, donors, and the public; and (4) focus on equity.
Effect of nanosilica on low‐velocity impact and compression after impact properties of continuous carbon fiber‐reinforced epoxy composites manufactured by 3D printing
Authors: Wagmare Rajkumar , Harshe Rahul , Pednekar Jaising , Patro T. Umasankar , Joshi Makarand
Published: August 2023

To improve the low‐velocity impact (LVI) and compression after impact (CAI) properties of three‐dimensional (3D)‐printed continuous carbon fiber‐reinforced epoxy composites (CFRC), nanosilica (NS) was incorporated into these composites. NS (0.5 and 1 wt%) was dispersed in a liquid epoxy matrix by ultrasonication and mechanical stirring before mixing in a planetary mixer. The addition of NS up to 1 wt% did not render any processing barrier during the extrusion followed by the automated tape placement (ATP) method, adopted in this study. The resulting “hybrid” laminates showed void content <1% and had minimal internal defects as ensured by nondestructive technique (C‐scan) and scanning electron microscopy. The neat and NS‐loaded CFRPs were subjected to an impact energy of 6 J mm−1. The rebound energy increased by ~36% with the addition of 1 wt% NS as compared to unfilled samples, obtained from the LVI test. The CAI results suggest that with 1 wt% NS the residual compressive strength increased by ~13% in comparison with the neat CFRP laminates. After impact, the damage area was reduced significantly, that is, ~62% with the addition of 1 wt% NS in comparison with the neat CFRP laminates.
Enhancement of physical properties of thermoplastic polyurethanes by blending with cyclic olefin copolymer elastomer
Authors: Ercan Nevra , Durmus Ali , Kasgoz Ahmet
Published: August 2023

In this study, two different thermoplastic polyurethanes (TPUs), a poly(ester)‐based TPU including aromatic diisocyanate units (TPU1) and a poly(ester‐ether)‐based TPU including aliphatic diisocyanate units (TPU2) were blended with a cyclic olefin copolymer (COC) elastomer to prepare TPU‐rich blend films via melt compounding in a twin screw extruder equipped with a slit die and film casting rollers. Morphological features and viscoelastic properties of blend films were characterized with scanning electron microscope analysis, different test protocols in melt rheology measurements, and dynamic mechanical analyzer tests, in detail. Viscoelastic properties of blend films were quantified with various mathematical approaches such as Williamson model, discrete retardation spectrum (DRS), Burger, and Findley equation. It was found that COC phase dispersed more homogenously into TPU1 matrix than TPU2. COC elastomer addition significantly increased the melt viscosity and melt elasticity of TPUs and improved the creep strength.

Highlights

COC addition enhanced the viscosity and elasticity of TPUs in melt state.

The creep strains of TPUs decreased by 65% with addition of 40 wt% of COC.
China's Internet sector reforms and the rise of ESG in the state techno‐nationalist agenda
Authors: Au Anson
Published: August 2023

From 2020 onward, sweeping reforms were implemented in China's domestic Internet sector that stirred debate about its future. Analyzing all Chinese government policies and penalties issued on domestic Internet enterprises from 2020 to 2022, this article provides the first systematic account of the authoritative themes that guided the design of the policy reforms. Latent Dirichlet Association topic modeling and qualitative content analyses reveal that policy reforms are guided by a state techno‐nationalist agenda shifting closer to a framework of environmental, social, and governance concerns (ESG). The results show that the new policies restructured Internet firm operations, capital allocation decisions, and accountability mechanisms with local government collaborators to ultimately push firms toward improving ESG adherence: social wellbeing, corporate governance, and environmental sustainability. This article theorizes that these changes reposition the Internet sector in a new techno‐nationalist agenda, shifting it from a vehicle of unfettered economic growth to an incubator for social wellbeing and sustainable finance.
Recent progress in thermally activated delayed fluorescence dendrimers for solution‐processed organic light‐emitting diodes
Authors: Wang Yihan , Ying Ao , Gong Shaolong
Published: August 2023

During the past decade, the discovery of thermally activated delayed fluorescence (TADF) materials has significantly boosted the development of organic light‐emitting diode (OLED) technology. Compared with small‐molecule and polymeric TADF materials, TADF dendrimers have emerged as promising emitters for solution‐processed OLEDs because they have the integrated advantages of TADF small molecules and polymers in achieving high efficiency, excellent solution processability, and precise molecular structures. In recent years, TADF dendrimers have experienced important advances in molecular design, mechanism exploration and device performance. Herein, we present a comprehensive review of solution‐processable TADF dendrimers, mainly focusing on their molecular design principles and structure–property correlations. The advanced device performances of these dendrimers are also summarized. Finally, we proposed the prospects and challenges on the development of TADF dendrimers.
Potential use of plasma‐activated water on Escherichia coli for sterilization: Efficacy and mechanism
Authors: Tan Yonghong , Bian Yaqing , Fu Ruoyang , Niu Haili , Chen Guiyun , Li Shuhong , Chen Ye
Published: August 2023

The plasma‐activated water (PAW) produced by low‐temperature plasma (LTP) was applied to this research because of its safety and no thermal damage. Therefore, the physicochemical properties of PAW, as well as the efficacy and sterilization mechanism of Escherichia coli, were discussed. The PAW (pH 1.27, conductivity 6400 μS/cm) could reduce E. coli by 1.31‐log reduction using LTP at 70 W for 9 min. The results demonstrated that PAW caused DNA and protein leakage with malondialdehyde production. This study may provide a basis for the theoretical research of PAW sterilization. As an effective sterilant, PAW would be a promising alternative strategy for cleaning of E. coli from pipes and filters in food factories.
The changing virology and trends in resource utilization for bronchiolitis since COVID‐19
Authors: Burks Allison , King William , Orr Mary
Published: August 2023

Background

Bronchiolitis is a viral respiratory illness most commonly caused by respiratory syncytial virus (RSV). COVID‐19 disrupted typical patterns of viral transmission. Our study aimed to compare low value care for bronchiolitis in a tertiary emergency department (ED) in the United States from March 2017 to March 2022.

Methods

This was a descriptive cohort study through a retrospective chart review from 2017 to 2022 analyzing ED visits for bronchiolitis including disposition, disease severity, chest radiographs, albuterol, and high flow nasal cannula usage. A year was a 12‐month period from March to February.

Results

From 2017 to 2020, there were over 2000 ED visits for bronchiolitis per year (3.1% of all ED visits), which decreased to 450 visits for bronchiolitis (1%) in 2020–2021. Human rhino/enterovirus was the most common virus detected (92%) at that time, and admission rates, albuterol, high flow nasal cannula, and chest radiographs were all higher. The summer of 2021 had the highest visits across the 5‐study years with a return to previous rates of resource utilization.

Conclusions

Bronchiolitis ED visits due to RSV dramatically reduced during the first year of the COVID‐19 pandemic in 2020, with over 80% reduction in bronchiolitis visits from 2018 to 2019. While all ED visits fell in 2020, the proportion of visits due to bronchiolitis also decreased. There was an increase in lower value care during the rhinovirus dominant, low census period. As restrictions lifted in 2021, there was a large resurgence of RSV in the atypical summer months with a return of previous rates of resource utilization.
DeepAFP: An effective computational framework for identifying antifungal peptides based on deep learning
Authors: Yao Lantian , Zhang Yuntian , Li Wenshuo , Chung Chia‐Ru , Guan Jiahui , Zhang Wenyang , Chiang Ying‐Chih , Lee Tzong‐Yi
Published: August 2023

Fungal infections have become a significant global health issue, affecting millions worldwide. Antifungal peptides (AFPs) have emerged as a promising alternative to conventional antifungal drugs due to their low toxicity and low propensity for inducing resistance. In this study, we developed a deep learning‐based framework called DeepAFP to efficiently identify AFPs. DeepAFP fully leverages and mines composition information, evolutionary information, and physicochemical properties of peptides by employing combined kernels from multiple branches of convolutional neural network with bi‐directional long short‐term memory layers. In addition, DeepAFP integrates a transfer learning strategy to obtain efficient representations of peptides for improving model performance. DeepAFP demonstrates strong predictive ability on carefully curated datasets, yielding an accuracy of 93.29% and an F1‐score of 93.45% on the DeepAFP‐Main dataset. The experimental results show that DeepAFP outperforms existing AFP prediction tools, achieving state‐of‐the‐art performance. Finally, we provide a downloadable AFP prediction tool to meet the demands of large‐scale prediction and facilitate the usage of our framework by the public or other researchers. Our framework can accurately identify AFPs in a short time without requiring significant human and material resources, and hence can accelerate the development of AFPs as well as contribute to the treatment of fungal infections. Furthermore, our method can provide new perspectives for other biological sequence analysis tasks.
Dosimetric and Radiobiological Impact of Flattening Filter‐Free Beam and Dose Calculation Algorithm Using RapidArc Plans for Cervical Cancer Treatment
Authors: Manna Sumanta , Singh Sharad , Gupta Pramod Kumar , T Ragul
Published: August 2023

Purpose

The aim of this study is to quantify the potential benefits of a flattening filter‐free (FFF) beam and implement a dose‐computation algorithm for cervical radiotherapy through dosimetric and radiobiological analyses using RapidArc.

Methods

Thirty‐three patients were enrolled, and four RapidArc plans were created for each patient using a dual‐arc flattening filter and 6‐MV FFF photon beams for the two calculation algorithms. Homogeneity index (HI), conformity index (CI), target coverage, monitor units (MUs), and organ‐at‐risk (OAR) dosimetric characteristics were compared between the plans. Radiobiological characteristics and normal tissue complication probability (NTCP) scores were computed for the OAR using different biological models.

Results

No significant differences were observed in the Dmax,D98%, and CI in the planning target volume (PTV). Both computations estimated a significant difference in V95%, D2%, and HI for the PTV. Furthermore, the FFF beam showed a significant increase in the MUs and a significant reduction in V30%for the femoral heads. The NTCP score showed a significant increase in the late effects on the bladder, rectum, and bowel with FFF beams.

Conclusion

The current study recommends FFF beams for better conformity, comparable dose coverage for the target, and OAR sparing invariable to the dose computation algorithm. The difference in the NTCP score for OAR was minimal with the FFF beam.
Improving pharmacometrics analysis efficiency using DataCheQC: An interactive, Shiny‐based app for quality control of pharmacometrics datasets
Authors: Dotan Or , Radivojevic Andrijana , Singh Rajendra
Published: August 2023

DataCheQC is an interactive application based on the R Shiny framework developed for the purposes of performing quality control (QC) checks on pharmacometric datasets, and thereby supporting the implementation of model‐informed drug development. Features include visual inspection of variables and data entries for errors and/or anomalies, and ensuring structural integrity through comparison with a dataset specification file. The app, which requires no programming knowledge to operate, allows the user to collect all findings into a summary report downloadable directly from the app itself. The source code for the app is freely available on GitHub under an open‐source license (https://github.com/DotanOr/DataCheQC) and can also be accessed online (https://dotanor.shinyapps.io/DataCheQC/).
Population pharmacokinetic analyses for belzutifan to inform dosing considerations and labeling
Authors: Marathe Dhananjay D. , Jauslin Petra M. , Kleijn Huub Jan , de Miranda Silva Carolina , Chain Anne , Bateman Thomas , Shaw Peter M. , Abraham Anson K. , Kauh Eunkyung A. , Liu Yanfang , Perini Rodolfo F. , de Alwis Dinesh P. , Jain Lokesh
Published: August 2023

Belzutifan (Welireg, Merck & Co., Inc., Rahway, NJ, USA) is an oral, potent inhibitor of hypoxia‐inducible factor 2α, approved for the treatment of certain patients with von Hippel–Lindau (VHL) disease‐associated renal cell carcinoma (RCC), central nervous system hemangioblastomas, and pancreatic neuroendocrine tumors. It is primarily metabolized by the polymorphic uridine 5′‐diphospho‐glucuronosyltransferase (UGT) 2B17 and cytochrome (CYP) 2C19. A population pharmacokinetic (PK) model was built, using NONMEM version 7.3, based on demographics/PK data from three clinical pharmacology (food effect, formulation bridging, and genotype/race effect) and two clinical studies (phase I dose escalation/expansion in patients with RCC and other solid tumors; phase II in patients with VHL). Median (range) age for the combined studies was 55 years (19–84) and body weight was 73.6 kg (42.1–165.8). Belzutifan plasma PK was well‐characterized by a linear two‐compartment model with first‐order absorption and elimination. For patients with VHL, the predicted geometric mean (% coefficient of variation) apparent clearance was 7.3 L/h (51%), apparent total volume of distribution was 130 L (35%), and half‐life was 12.39 h (42%). There were no clinically relevant differences in belzutifan PK based on the individual covariates of age, sex, ethnicity, race, body weight, mild/moderate renal impairment, or mild hepatic impairment. In this model, dual UGT2B17 and CYP2C19 poor metabolizers (PMs) were estimated to have a 3.2‐fold higher area under the plasma concentration‐time curve compared to UGT2B17 extensive metabolizer and CYP2C19 non‐PM patients. This population PK analysis enabled an integrated assessment of PK characteristics with covariate effects in the overall population and subpopulations for belzutifan labeling.
Molecular Dynamics Simulation of Interaction between Edge Dislocations and Stable β‐Phase Precipitates in Aluminum Alloy
Authors: Li Jianyu , Qiu Xuchang , Kong Shining , Zhang Zhao
Published: August 2023

Stable precipitate takes the essential role for material strengthening in Al–Mg–Si alloys. To reveal how the stable precipitate works in material strengthening, a molecular dynamics model is carried out to show the interaction between the edge dislocations and the plate‐shaped β phase of Mg2Si. The critical resolved shear stress (CRSS) is related to the precipitate characteristics including sizes and thickness directions. The CRSS increases with the increase of the precipitate size. When the thickness direction of precipitate changes from [001] to [100], the CRSS increases from 326.76 to 368.7 MPa. This phenomenon is mainly affected by the interaction length between dislocation and β phase. With the increase of interaction length, the interaction time for dislocation to overcome pinning increases. The critical bending angle of dislocation can be affected by the interaction time and shear strain rate. The relationship between the critical bending angle and the CRSS in Al–Mg–Si alloy is then established.
The interplay among conflict, water scarcity, and cholera in Northern Nigeria
Authors: Gulumbe Bashar Haruna , Yusuf Zaharadeen Muhammad , Faggo Abdullahi Adamu , Yahaya Tajudeen O. , Manga Sahabi Sule
Published: August 2023

Cholera is a recurring issue in Nigeria, with outbreaks predominantly affecting the Northern states. In 2021, Nigeria experienced its most significant cholera epidemic in a decade, resulting in thousands of fatalities and cases. The spread of cholera and other waterborne diseases in Nigeria is linked to various factors such as flooding, conflict, and water scarcity. The country's poor drinking water quality and lack of equitable access to clean water exacerbate the problem, particularly in the conflict‐affected areas of the North. This paper discusses the interaction of conflict‐related displacement, water shortages, and cholera transmission in Northern Nigeria and provides insights into how these factors impact water resources and public health. This information can inform initiatives and policies to reduce the impact of conflict on water resources and enhance access to clean water in impacted areas. The article suggests that the primary challenges in eliminating cholera in the region include a lack of information due to severe security situations, bureaucratic requirements for delivering essential supplies, and a chronic shortage of water. A successful response to cholera in conflict and displacement situations also requires community engagement and the security and safety of humanitarian personnel. Long‐term solutions to the uprisings in the region are necessary to put an end to the issues related to banditry and insurgency.
Insights into the growth law, electronic properties and spectra of Fenλ (n = 3–18; λ = 0, ±1) clusters
Authors: Liu Jing‐Ru , Die Dong , Kuang Xiao‐Yu
Published: August 2023

The growth law, electronic properties and spectra of (n = 2–18; λ = 0, ±1) clusters have been examined by density functional theory (DFT) and an unbiased structure prediction method. Extensive geometry optimizations have been executed and show that the global minimum structures of clusters have a distinct growth law when n is 8–18. For n = 8–13 and 14–18, the iron atoms grow around a decahedral and icosahedral iron cluster core, respectively. Based on the present ground states, the calculated electronic parameters are in line with the experimental values. The thermal stability of charged iron cluster is higher than that of neutral iron cluster. The octahedral and icosahedral clusters are more stable than their neighbors. The former has low chemical activity and may be a superatom. The magnetic moment of Fe atom weakens in the cluster. The UV spectra, photoelectron spectra (PES) and infrared and Raman spectra of the clusters have been predicted and the global minimum structures of the clusters are determined by comparing the theoretical PES with the experimental results.
Topological indices of molecular graphs of monkeypox drugs for QSPR analysis to predict physicochemical and ADMET properties
Authors: Kalaimathi M. , Balamurugan B. J.
Published: August 2023

Numerous viral diseases endure to develop causing serious community health issues. One of such diseases is monkeypox, which is a viral zoonotic disease, found primarily in remote areas of Central and West African countries and is sporadically spread to other countries. The virus is transmitted to people through contact with infected animals and also from person to person through respiratory droplets, bodily fluids and skin lesions of infected individuals. There are no specific drugs to treat monkeypox virus. This virus is similar to smallpox and belongs to Orthopoxvirus family. The smallpox drugs are recommended to treat monkeypox disease. There are few antiviral drugs such as Cidofovir, Valacyclovir, Famciclovir, Acyclovir, Tecovirimat, and Brincidofovir used for treating monkeypox disease. A chemical molecule/structure can be considered as a graph where is the set of atoms and is the set of bonds between the atoms. A molecular descriptor of the molecular graph/structure is a numerical value of . The numerical values of molecular descriptors are used to quantitatively describe the physical and chemical information of the molecules. In this article, density based topological descriptors are computed for the molecular graphs of the above aforesaid drugs to treat monkeypox disease to carry out QSPR analysis through the quadratic regression to predict physicochemical and ADMET properties of monkeypox drugs.
Stencil Lithography‐Assisted Fabrication of Triangular Grid Pb Architecture
Authors: Yang Bo , Xia Bing , Chen Hongyuan , Cai Jie , Yang Hao , Liu Xiaoxue , Liu Liang , Guan Dandan , Wang Shiyong , Li Yaoyi , Zheng Hao , Liu Canhua , Jia Jinfeng
Published: August 2023

Manipulating Majorana zero modes (MZMs) holds significant promise in propelling the field of topological quantum computation. While scanning tunneling microscopy (STM) exhibits remarkable capabilities in characterizing MZMs, additional geometrical constraints are imperative for achieving precise and controllable manipulation of these zero modes. To this end, it is of great help to integrate a micro mask within a molecular beam epitaxy (MBE) system to grow specific patterns containing MZMs. Here, a scenario for manipulating the MZMs in the vortex cores based on a triangular grid architecture is proposed. Additionally, a stencil lithography setup that is compatible with a combined MBE and STM system is introduced and experimentally demonstrated. A fine‐tuning of the Pb patterns, between a hexagonal antidot lattice to a triangular grid array, is achieved by adjusting the spatial gap between the stencil mask and the underlying substrate. This study provides new possibilities for the fabrication and investigation of Majorana devices.
Variational Quantum‐Neural Hybrid Error Mitigation
Authors: Zhang Shi‐Xin , Wan Zhou‐Quan , Hsieh Chang‐Yu , Yao Hong , Zhang Shengyu
Published: August 2023

Quantum error mitigation (QEM) is crucial for obtaining reliable results on quantum computers by suppressing quantum noise with moderate resources. It is a key factor for successful and practical quantum algorithm implementations in the noisy intermediate scale quantum (NISQ) era. Since quantum‐classical hybrid algorithms can be executed with moderate and noisy quantum resources, combining QEM with quantum‐classical hybrid schemes is one of the most promising directions toward practical quantum advantages. This work shows how the variational quantum‐neural hybrid eigensolver (VQNHE) algorithm, which seamlessly combines the expressive power of a parameterized quantum circuit with a neural network, is inherently noise resilient with a unique QEM capacity, which is absent in vanilla variational quantum eigensolvers (VQE). The study carefully analyzes and elucidates the asymptotic scaling of this unique QEM capacity in VQNHE from both theoretical and experimental perspectives. Finally, a variational basis transformation is proposed for the Hamiltonian to be measured under the VQNHE framework, yielding a powerful tri‐optimization setup, dubbed as VQNHE++. VQNHE++ can further enhance the quantum‐neural hybrid expressive power and error mitigation capacity.
Contribution of non‐orthogonal multiple access signalling to practical multibeam satellite deployments
Authors: Ramírez Tomás , Mosquera Carlos
Published: August 2023

This work explores the contribution of non‐orthogonal multiple access (NOMA) signalling to improve some relevant metrics of a multibeam satellite downlink. Users are paired to exploit signal‐to‐noise ratio (SNR) imbalances coming from the coexistence of different types of terminals, and they can be flexibly allocated to the beams, thus relaxing the cell boundaries of the satellite footprint. Different practical considerations are accommodated, such as a spatially non‐uniform traffic demand, non‐linear amplification effects and the use of the DVB‐S2X air interface. Results show how higher traffic volumes can be channelized by the satellite, thanks to the additional bit rates which are generated for the strong users under the superposition of signals, with carefully designed power levels for DVB‐S2X modulation and coding schemes in the presence of non‐linear impairments.
Exploring complexities of disaster risk and vulnerability: Everyday lives of two flood‐affected communities in Sri Lanka
Authors: Samaraweera H. Unnathi S.
Published: August 2023

Two riverside communities in Kolonnawa, Colombo district, and Thawalama, Galle district, of Sri Lanka are flood‐prone communities that, not only have experiences of flood disasters of different scales, but also face a number of disaster risks and vulnerabilities intertwined in their everyday lives. Using a mixed methods approach, the article draws on household surveys, in‐depth interviews and focus group discussions with flood‐affected people, and on semi‐structured interviews with community leaders in the two‐flood‐prone‐communities. The article critically explores how the understanding of disaster risks and vulnerabilities is overly focused on “incapacities,” “weaknesses,” and “victimization” of affected people, and emphasizes that vulnerability should not be treated as an antonym of community resilience. The article argues how community resilience still exists within vulnerable communities and it highlights the need for developing a more holistic approach to understand the vulnerability paradigm and better disentangle the complexity of vulnerability and disaster risk in local contexts.
HZSM‐5‐Catalyzed Vapor‐Phase Conversion of Dimethyl Adipate to Adiponitrile: The Influence of the SiO2/Al2O3 Ratio on Reactivity
Authors: He Lin‐Jie , Wang Yao‐Feng , Guan Peng‐Xin , Niu Qing‐Shan , Liu Hong‐Ying , Xu Bao‐Hua
Published: August 2023

The vapor‐phase nitrilation of dimethyl adipate (DMA) with ammonia (NH3) is an environmentally benign route leading to adiponitrile (ADN) with great application value. In this study, the performance of HZSM‐5 zeolites, widely used in industry as the solid acid catalysts, was investigated. It exhibits a strong correlation between the SiO2/Al2O3 ratio (SAR) in HZSM‐5 zeolites and the reactivity (both activity and selectivity). The influence of Al density closely related to the value of SAR on the reactivity of HZSM‐5 was thus elucidated by mechanistic experiments. As a result, the introduction of Al element to the framework is beneficial to the activation of ester functionality, thus improving the activity, especially at a high liquid hourly space velocity (LHSV). However, a high Al density will lead to poor selectivity and deactivation due to too strong adsorption of esters and intermediates (e. g., amides). Herein, the balanced adsorption/desorption capability was reached on HZSM‐5 with SAR as 631 (i. e., HZSM‐5‐631), which provides the best selectivity to nitriles (SADN+MCP, 92.5 %) at a high single‐pass conversion of DMA (CDMA, 98.0 %).
Multitarget Mechanisms of 5‐hydroxy Ferulic Acid for Cancer Prevention: A Computational Chemistry Study
Authors: Thong Nguyen Minh , Van Bay Mai , Vo Quan V. , Duc Manh Tran , Cam Nam Pham
Published: August 2023

This study used computational methods to investigate the multitarget mechanisms of 5‐hydroxy ferulic acid in preventing cancer. The antiradical activity of 5‐hydroxy ferulic acid was systematically studied by using the M06‐2X/6‐311++G(d,p) method in both pentyl ethanoate (lipid‐like) and water media. The results show that 5‐hydroxy ferulic acid is more effective at scavenging the HOO• radical (koverall=5.2×108 M−1s−1) than Trolox (koverall=1.3×105 M−1s−1) in aqueous solution. The complexation ability of 5‐hydroxy ferulic acid with Cu(II) ions was investigated at the M06/6‐311++G(d,p) level of theory under physiological pH conditions. The most thermodynamically stable complexes can slow down about 107 times the Haber‐Weiss cycle's first reaction (from 4.2×109 M−1s−1 to 3.8×102 M−1s−1) and mitigate the potential damage caused by ⋅OH radical production. Furthermore, by performing molecular docking simulations on protein‐ligand adducts and comparing their activity to that of 5‐fluorouracil (a commercial anticancer drug), the existing forms of 5‐hydroxy ferulic acid at physiological pH were extremely effective at inhibiting the thymidylate synthase enzyme. Based on these findings, 5‐hydroxy ferulic acid may be an effective cancer treatment.
Construction of Triphenylamine‐based Two‐dimensional Covalent Organic Frameworks for High‐performance Capacitive Energy Storage and Exploration of Redox Units
Authors: Liu Hongkun , Guan Wenke , Zhao Changyong , Ni zejuan , Jin Chuanyu , Zhao Hui , Zhao Limin
Published: August 2023

Covalent organic frameworks (COFs) have received more interest as energy storage devices for their unique topological structure and excellent electrochemical performance. However, the confirmation of active center and the mechanism of charge storage in COFs supercapacitors is still a significant challenge. Here, a series of Tp‐based COFs with different link units have been obtained through Schiff base reaction. All the synthesized COFs exhibited high crystallinity and excellent thermal stability. Based on similar structure, electrochemical analysis and DFT calculation was used to identify the redox active sites. Because of their conjugated structures containing redox‐active triphenylamine groups, the obtained a‐COFs exhibited specific capacitance of 115 F ⋅ g−1 in 1 M H2SO4 at 0.1 A ⋅ g−1 and retained 70 % capacitive after 1000 cycles. Our findings provide a new routine for designing new COFs electrode materials.
Synthesis of novel Biginelli and Hantzsch products from biorenewable furfurals using 1,4‐diazabicyclo[2.2.2]octanium diacetate as a Brønsted acidic ionic liquid catalyst
Authors: Bhat Navya Subray , Kumari Muskan , Naik C Prajwal , Mal Sib Sankar , Dutta Saikat
Published: August 2023

3,4‐Dihydropyrimidin‐2(1H)‐ones (DHPMs) and 1,4‐dihydropyridines (DHPs) are well‐established classes of heterocyclic compounds with remarkable biological properties. Various protonated organic amines were screened as Brønsted acidic ionic liquid catalysts under the Biginelli and Hantzsch reaction conditions for synthesizing novel DHPMs and DHPs, respectively, starting from biorenewable furfurals. 1,4‐Diazabicyclo[2.2.2]octanium diacetate (DABCO‐DA) was found as an efficient catalyst for the organic solvent‐free synthesis of novel DHPMs and DHPs in excellent (>85 %) isolated yields. The process parameters (e. g., temperature, molar ratio of reagents, duration, and loading of acid catalyst) were optimized, and a general synthetic protocol for synthesizing DHPMs and DHPs from 5‐substituted‐2‐furaldehydes has been developed. The DABCO‐DA catalyst was successfully recovered from the reaction mixture and reused for four consecutive cycles.
Hydrothermal Synthesis of Cu0.66‐xZn0.34+xSe Materials and Investigation of Their Structural, Optical, and Magnetic Properties
Authors: Parida Abinash , Senapati Subrata , Pradhan Gopal K. , Naik Ramakanta
Published: August 2023

In the current paper, we have prepared Cu0.66‐xZn0.34+xSe materials by varying the concentration of copper and zinc (x=0, 0.085, 0.17, 0.255, 0.34) with the help of a facile one‐step hydrothermal method. The X‐ray diffraction study reveals that the as‐prepared nanomaterials show the polycrystalline property. The crystallinity increases with the variation of Zn concentration, and the average crystallite size was calculated in the 39 to 55 nm range. The morphological analysis shows the uniform and agglomerated particles having an average size of around 596 nm. High‐resolution transmission electron microscopy and selected area electron diffraction study reveal the crystalline phases of the prepared sample. The energy‐dispersive X‐ray analysis confirmed the presence of constituent elements in the sample. The sample shows a high optical bandgap in the range of 3.6 eV to 4.09 eV, which was calculated from absorbance spectra. Photoluminescence measurements of the samples were carried out with 532 nm laser excitation, where the defect‐related emission peaks in the 540–850 nm range are observed. A change in the bandgap and optical emission is observed for different compositions. The magnetic properties analysis through the vibrating sample magnetometer reveals that the prepared sample exhibits ferromagnetic behaviour at room temperature, which can be used in magnetic storage applications. The tuning of the optical properties of the samples by varying the copper and zinc concentrations will be useful for various photonic devices.
Design and Optimization of a Triple‐Cation Perovskite Solar Cell for Efficiency Promotion using Numerical Simulations
Authors: Deendyal Parvesh K. , Dhakla Shweta , Singh Harpreet , Taya Ankur , Kumar Sarvesh , Kashyap Manish K.
Published: August 2023

Formamidinium lead iodide (FAPbI3) perovskite has recently gained immense interests as a possible absorber of hybrid halide perovskite (HHP) based solar cells and are extensively investigated both on experimental and theoretical fronts. However, it is unstable against the moisture, making this material domain inappropriate for long run. The compositional engineering i. e., doping in the absorber layer (FAPbI3) of HHP solar cells appears to be very significant for enhancing the stability and overall photovoltaic performance of perovskite solar cells (PSCs). We deal with the numerical simulation and optimization of (GA/FA/Cs)PbI3 based PSC. A diverse set of ETLs and HTLs have been explored to find the optimal combination from 35 device structures. Among them, La‐doped BaSnO3 (LBSO) and CBTS are found to be most appropriate electron/hole transport layers (ETL/HTL) combination for (GA/FA/Cs)PbI3 absorber layer, respectively. In addition, the impact of various parameters such as thickness, defect density, working temperature and back contact work function on the overall device performance have been investigated. After comprehensive optimizations, the proposed PSC demonstrated the superior photovoltaic performance with power conversion efficiency of 24.36 % and fill factor (FF) of 80.17 %. The present simulation work can serve as a benchmark for the fabrication of proposed PSCs.
Design, Synthesis, and Cytotoxicity of Some New Benzimidazole‐Piperazine Conjugate Analogues Against Human Breast Adenocarcinoma
Authors: Ambala Shankaraiah , Thumma Vishnu , Mallikanti Veerabhadraiah , Aitha Shalini , Matta Raghavender , Pochampally Jalapathi
Published: August 2023

New benzimidazole‐based piperazine analogues (9 a–n) were synthesized and screened for their cytotoxicity against human breast cancer cell lines MCF‐7 and MDA‐MB‐231 by employing Doxorubicin as a standard reference. 4‐(trifluoromethyl)benzyl substituted compound 9 f displayed outstanding activity against both MCF‐7 and MDA‐MB‐231 cell line with IC50 value of 7.29±0.20 μM and 6.92±4.80 μM respectively, compared to Doxorubicin. Additionally, butyl substituted compound 9 m showed superior activity against MDA‐MB‐231 cells with IC50 value of 7.61±5.90 μM. 4‐fluorobenzyl substituted compound 9 c indicated activity on par with the Doxorubicin against MCF‐7 cells with an IC50 value of 9.15±0.10 μM. The morphological study of active compounds revealed their activity and have not shown any toxicity on MCF‐10A cells. Molecular docking study of all compounds against Cyclin‐dependent kinase 6 produced notable binding energies and interactions in comparison to co‐crystalized ligand Abemaciclib. Pharmacokinetic evaluation of compounds presented favourable drug‐likeness properties.
[8+2]‐Cycloaddition Reaction of Carbamates and N‐Sulfonyl azaheptafulvenes
Authors: Wang Zhaoxue , Liu Wanxing , Xu Xiangdong , Shi Yuying , Tian Ge , Wu Ping , Li Xiaojing , Wu Lingang , Xie Lei
Published: August 2023

The base‐mediated higher‐order [8+2]‐cycloaddition reaction of carbamates with N‐sulfonyl azaheptafulvenes has been successfully developed, providing a facile access to a series of highly functionalized cycloheptatriene‐fused imidazolidin‐2‐one derivatives in 52–95 % yields. This reaction features transition‐metal free, simple operation, and mild reaction conditions. Additionally, this transformation can also be utilized to modify some natural isolates.
The effect of perceived stress on social isolation in young and middle‐aged maintenance haemodialysis patients: A polynomial regression and response surface analysis
Authors: Mai Qingxin , Liang Xingshan , Hu Jingyi , Meng Xiangxin , Zhang Qiulin , Wang Chao , Song Yang
Published: August 2023

Patients on maintenance haemodialysis (MHD) face social isolation due to the far‐reaching effects of their disease and treatment. Based on the Transactional Model of Stress and Coping, we analysed the relationship between perceived stress and social isolation in patients, and the mediating role of internal health‐related locus of control (IHLC) from the perspective of co‐existence of perceived helplessness (HEL) and perceived self‐efficacy (SEL). We used structured questionnaires to investigate 332 cases of young and middle‐aged MHD patients in four tertiary hospitals in Guangdong, China. Polynomial regression and response surface analysis were conducted, along with tests of mediating effects on the data. The research was based on STROBE guidelines. The results showed that perceived stress is significantly and positively associated with social isolation. When the HEL and SEL of perceived stress were congruent, the joint effect of the two was in a positive curvilinear relationship to social isolation, when the two were incongruent, the risk of social isolation was lower for “low HEL‐high SEL” patients compared to the “high HEL‐low SEL” combination. The more congruent in HEL ‐SEL, the lower the risk of social isolation for the patients, with the IHLC playing a mediating role in this association. This study reveals that the coexistence of perceived stress's HEL and SEL affects social isolation through congruent and incongruent matching mechanism, providing additional explanations for the mechanism of occurrence of patients' social isolation.
N‐Doping Induced Lattice Expansion of 1D Template Confined Ultrathin MoS2 Sheets to Significantly Enhance Lithium Polysulfides Redox Kinetics for Li–S Battery
Authors: Chen Minzhe , Wang Nan , Zhou Wei , Zhu Xiaoyan , Wu Qikai , Lee Ming‐Hsien , Zhao Dengke , Ning Shunlian , An Maozhong , Li Ligui
Published: August 2023

Preparing MoS2‐based materials with reasonable structure and catalytic activity to enhance the sluggish kinetics of lithium polysulfides (LiPSs) conversion is of great significance for Li–S batteries (LSBs) but still remain a challenge. Hence, hollow nanotubes composed of N‐doped ultrathin MoS2 nanosheets (N‐MoS2 NHTs) are fabricated as efficient S hosts for LSBs by using CdS nanorods as a sacrifice template. Characterization and theoretical results show that the template effectively inhibits the excessive growth of MoS2 sheets, and N doping expands the interlayer spacing and modulates the electronic structure, thus accelerating the mass/electron transfer and enhancing the LiPSs adsorption and transformation. Benefiting from the merits, the N‐MoS2 NHTs@S cathode exhibits an excellent initial capacity of 887.8 mAh g−1 and stable cycling performances with capacity fading of only 0.0436% per cycle at 1.0 C (500 cycles). Moreover, even at high S loading that of 7.5 mg cm−2, the N‐MoS2 NHTs@S cathode also presents initial excellent areal capacity of 7.80 mAh cm−2 at 0.2 C. This study offers feasible guidance for designing advanced MoS2‐based cathode materials in LSBs.
Interface Engineering for Aqueous Aluminum Metal Batteries: Current Progresses and Future Prospects
Authors: Yu Huaming , Lv Chade , Yan Chunshuang , Yu Guihua
Published: August 2023

Aqueous aluminum metal batteries (AMBs) have attracted numerous attention because of the abundant reserves, low cost, high theoretical capacity, and high safety. Nevertheless, the poor thermodynamics stability of metallic Al anode in aqueous solution, which is caused by the self‐corrosion, surface passivation, or hydrogen evolution reaction, dramatically limits the electrochemical performance and hampers the further development of AMBs. In this comprehensive review, the key scientific challenges of Al anode/electrolyte interface (AEI) are highlighted. A systematic overview is also provided about the recent progress on the rational interface engineering principles toward a relatively stable AEI. Finally, suggestions and perspectives for future research are offered on the optimization of Al anode and aqueous electrolytes to enable a stable and durable AEI, which may pave the way for developing high‐performance AMBs.
Ultrathin Dimethylammonium Iodide Matrix: Suppressing Octahedral Distortion and Reconstructing Surface Ligands for Efficient CsPbI3 Quantum Dot Photovoltaics
Authors: Xu Yinyan , Niu Pujun , Zhang Lun , Wen Ziying , Lyu Mei , Zhou Ru , Zhu Jun
Published: August 2023

Inorganic CsPbI3 quantum dots (QDs) have received increasing attention for their application in new‐generation solar cells. However, their poor phase stability due to the small ionic radius of Cs and their inhomogeneous energy landscape on the QD surface during ligand exchange remain as bottlenecks for the practical application of CsPbI3 QD photovoltaics. Herein, the unfavorable octahedral distortion is effectively suppressed by riveting dimethylammonium hydroiodide (DMAI) into the lattice structure. Moreover, DMAI reconstructs the surface ligands to create an ultrathin matrix that encloses the QDs. The ultrathin DMAI matrix effectively passivates the vacancy defects and allows efficient coupling and charge transport in the QD films. As a result, the CsPbI3 QD solar cell yields an efficiency approaching 15%. In addition, the increase in the Goldschmidt tolerance factor enhances the stability of the octahedral structure, resulting in significantly improved device stability.
Tailoring Tensile Strain in Pb–Sn Perovskite Film for Efficient and Stable Narrow‐Bandgap Perovskite Solar Cells
Authors: Liu Yanghua , Gao Weiyin , Xing Gang , Lv Shaoshen , Zhao Xiaojia , Yang Jianxiong , Chao Lingfeng , Wu Zhongbin , Xia Yingdong , Ran Chenxin
Published: August 2023

Pb–Sn perovskites (PSPs) with narrow bandgap and low toxicity show great promise in next‐generation perovskite‐based photovoltaics, especially in constructing all‐perovskite tandem solar cells as the rare subcell. However, partially replacing Pb by Sn with smaller ionic size in PSPs is shown to reduce their crystal lattice symmetry, which leads to intrinsic compressed lattice strain and reduced structural stability, resulting in the poor device performance of PSPs‐based solar cells. Herein, the effect of lattice tensile strain on the optoelectronic properties of FA0.7MA0.3Pb0.5Sn0.5I3 film is investigated and the tensile strain is finely adjusted by introducing monovalent‐cation chlorides with different cation sizes as additive. It is found that a moderate tensile strain in the film is beneficial for stabilizing the crystal structure, promoting oriented crystal growth and reducing the defect density. After optimization, FA0.7MA0.3Pb0.5Sn0.5I3‐based perovskite solar cells using FACl as additive can produce the device with champion power conversion efficiency (PCE) of 19.30% together with improved device reproducibility. Importantly, the FACl‐based device shows robust stability that exhibits no PCE loss after being stored in N2 for 1000‐h. This work provides new insight into the key role of tensile strain in PSPs, which can facilitate the development of PSP‐based optoelectronic devices.
Utility of diaphragmatic ultrasonography for detection of patient‐ventilator asynchrony
Authors: Juan M. Núñez Silveira , Paulina Ezcurra , Nicolás Roux , Fernando Ríos , Adrián Gallardo
Published: August 2023

Asynchrony is a frequent problem in critical care units, being underdiagnosed by the treating team and often requiring advanced monitoring equipment for its detection. Ultrasonography of the diaphragm allows direct observation, in real time, of muscle displacement and its synchronization with the ventilator waveforms, which results in a promising tool for interpreting difficult to diagnose asynchronies.