bluuebunny/crossref_metadata_2025 huggingface dataset:
DFT study, and natural bond orbital (NBO) population analysis of 2-(2-Hydroxyphenyl)-1-azaazulene tautomers and their mercapto analouges
Authors: Halim Shimaa Abdel , El-Meligy Asmaa B. , El-Nahas Ahmed M. , El-Demerdash Safinaz H.
Published: January 2024

Theoretical research on the keto-enol tautomerization of 2-(2-Hydroxyphenyl)-1-aza azulene (2HPhAZ) and its thiol-thione (2MPhAZ) analouge has been performed using the density functional B3LYP method with the 6–311 +  + G(2d,2p) basis set in gas and ethanol phases. The findings of the MO computation on the energy scale and the prediction of the frontier molecular orbital (FMO) energies demonstrate that the tautomeric structures exist in a static mixture in the ground state, with the enol and thiol structure being more stable than the keto and thione structures in gas phase. The ethanol solvent causes some reordering of the relative stability of 2HPhAZ and 2MPhAZ conformers. The geometries created at the B3LYP/6–311 +  + G(2d,2p) level of theory were used for NBO analysis. In the tautomerization of 2HPhAZ and its mercapto analogue 2-(2-Mercaptophenyl)-1-azaazulene (2MPhAZ), it has been found that the O(S)-C sigma bond is weak due to nO(S)—> σ*C25-O26(S26) and nO(S)—> σ*C15-N16 delocalization. It is also noted that the resulting p character of the corresponding oxygen (sulfur) natural hybrid orbital (NHO) of σO(S)-C bond orbital is related to the decreased occupancy of the localized σO(S)-C orbital in the idealized Lewis structure or the increased occupancy of σ*O(S)-C of the non-Lewis orbital and their subsequent impact on molecular stability and geometry (bond lengths) in gas phase and ethanol. Additionally, the energy of charge transfer decreases as the potential rotamers' Hammett constants (R1–R3 for O(S) atoms) increase. The partial charge distribution on the skeleton atoms demonstrates that the intra- and intermolecular interactions can be significantly influenced by the electrostatic attraction or repulsion between atoms. Lastly, the currently applied NBO-based HB strength indicator enables a fair prediction of the frequency of the proton donor NH stretching mode, but this simple picture is hidden by abundant hype conjugative effects.
Comparison of the differentiation of ovine fetal bone-marrow mesenchymal stem cells towards osteocytes on chitosan/alginate/CuO-NPs and chitosan/alginate/FeO-NPs scaffolds
Authors: Soltani Leila , Varmira Kambiz , Nazari Maryam
Published: January 2024

In the current study, the creation of a chitosan/alginate scaffold hydrogel with and without FeO-NPs or CuO-NPs was studied. From fetal ovine bone marrow mesenchymal stem cells (BM-MSCs) were isolated and cultivated. Their differentiation into osteocyte and adipose cells was investigated. Also, on the scaffolds, cytotoxicity and apoptosis were studied. To investigate the differentiation, treatment groups include: (1) BM-MSCs were plated in DMEM culture medium with high glucose containing 10% FBS and antibiotics (negative control); (2) BM-MSCs were plated in osteogenic differentiation medium (positive control); (3) positive control group + FeO-NPs, (4) positive control group + CuO-NPs; (5) BM-MSCs were plated in osteogenic differentiation medium on chitosan/alginate scaffold; (6) BM-MSCs were plated in osteogenic differentiation medium on chitosan/alginate/FeO-NPs scaffold; and (7) BM-MSCs were plated in osteogenic differentiation medium on chitosan/alginate/CuO-NPs scaffold. Alkaline phosphatase enzyme concentrations, mineralization rate using a calcium kit, and mineralization measurement by alizarin staining quantification were evaluated after 21 days of culture. In addition, qRT-PCR was used to assess the expression of the ALP, ColA, and Runx2 genes. When compared to other treatment groups, the addition of CuO-NPs in the chitosan/alginate hydrogel significantly increased the expression of the ColA and Runx2 genes (p < 0.05). However, there was no significant difference between the chitosan/alginate hydrogel groups containing FeO-NPs and CuO-NPs in the expression of the ALP gene. It appears that the addition of nanoparticles, in particular CuO-NPs, has made the chitosan/alginate scaffold more effective in supporting osteocyte differentiation.
Integrated approach to water resource management in Mashhad Plain, Iran: actor analysis, cognitive mapping, and roadmap development
Authors: Kolahi Mahdi , Davary Kamran , Omranian Khorasani Hamid
Published: January 2024

Iran's Mashhad Plain faces a severe water crisis due to the excessive exploitation of groundwater, leading to the depletion of its aquifer. While water demand management is recognized as a superior solution compared to supply projects, its implementation presents notable challenges. This study addresses the urgent necessity to curtail water demand in the Mashhad Plain by alleviating conflicts among various stakeholders, including water resource managers and consumers. Initially, the research identifies key water resource actors who collaborate in devising a comprehensive roadmap and conceptual model for efficient water resource management. An analysis uncovers significant conflicts among actors, representing approximately 6% of identified issues, with minor conflicts in 30% of cases. Encouragingly, stakeholders demonstrate potential for consensus on the remaining conflict items, with specific actors emerging as pivotal in conflict resolution. Efficient water resource management in regions facing scarcity, diverse interests, and sustainability challenges demands a multifaceted strategy. Future endeavors involve developing a dynamic system model to simulate policy impacts and strengthen conflict resolution efforts. This research introduces a roadmap-driven approach aimed at resolving conflicts and implementing water demand management in the Mashhad Plain. It emphasizes the critical need to address water scarcity challenges while effectively mitigating conflicts among water resource stakeholders.
Quercetin stimulates trophoblast fusion via the mitochondrial function
Authors: Yoshida Kanoko , Kusama Kazuya , Shinohara Go , Sato Shiho , Yoshie Mikihiro , Tamura Kazuhiro
Published: January 2024

The fusion of mononuclear trophoblasts into multinucleate syncytiotrophoblasts is the critical event in the process of syncytialization, and its dysregulation can lead to pregnancy complications, notably hypertensive disorders of pregnancy (HDP). Oxidative stress may disrupt trophoblast syncytialization in HDP. Specifically, placentas with HDP exhibit impaired mitochondria, giving rise to the generation of reactive oxygen species (ROS) and subsequent oxidative stress. Quercetin, a bioflavonoid known for its antioxidant and anti-aging properties, has the potential to mitigate oxidative stress during trophoblast syncytialization. However, the precise mechanism underlying the action of quercetin in these processes remains to be elucidated. To explore the impact of quercetin on syncytialization, mitochondrial function, and ROS generation, cyclic AMP-stimulated BeWo cells were treated with quercetin. The expression of markers associated with cell fusion, mitochondrial function, and oxidative stress was determined using qPCR and western blotting. Additionally, morphological syncytialization and mitophagy (mitochondrial degradation) were assessed by immunofluorescence analysis. Our results revealed that quercetin increased the expression of syncytialization markers and promoted cell fusion. Furthermore, this compound also upregulated markers associated with mitophagy and mitochondrial fusion, which are corroborated by visual evidence of mitophagy through the fluorescence microscope. Cell fusion naturally stimulated ROS generation, which was attenuated by quercetin. Quercetin downregulated the expression of NRF2 and HO-1 during syncytialization, while increasing the expression of sirtuin1/3/6, which are known to play essential roles in antioxidant responses. In conclusion, quercetin effectively regulates mitochondrial function through its antioxidant properties and the suppression of ROS generation, ultimately promoting trophoblast fusion, suggesting that the flavonoid has the potential to ameliorate pregnancy-related disorder stemming from placental dysplasia.
Production of an eco-friendly concrete by including high-volume zeolitic supplementary cementitious materials and quicklime
Authors: Vaičiukynienė Danutė , Nizevičienė Dalia , Kantautas Aras , Tamošaitis Gintautas , Fornés Ignacio Villalón , Krivenko Pavel , Boiko Olha
Published: January 2024

The production of ordinary Portland cement (OPC) is one of the main global causes of CO2 release to the atmosphere. However, its availability and unique characteristics as a binding material make it difficult to be substituted by eco-friendlier materials. However, OPC partial replacement with pozzolanic materials is one of the best solutions to this problem. Hence, in this study, various types of high-volume zeolite were employed as supplementary cementitious materials (SCM), substituting the OPC by up to 50 wt.% in the composition of the created mortars. Besides, quicklime and inorganic accelerators were included in some of the mortar mixtures to improve the hydration reaction and enhance its speed. The mechanical, durability and durability in sea water properties were investigated. Although the usage of SCM caused a decrease in the mechanical and durability properties of the specimens, the addition of 10 wt.% quicklime palliated this degradation by enhancing by 40% the 28-days compressive strength of the specimens and by significantly improving their durability (porosity, freeze–thaw resistance and carbonation resistance). Moreover, the mixtures were proved to be resistance to aggressive ionic environments, since their compressive strength even increased after 28-day immersion in seawater, due to the additional formation of hydration compounds.
Notch intracellular domains form transcriptionally active heterodimeric complexes on sequence-paired sites
Authors: Gazdik Tana R. , Crow Jacob J. , Lawton Tyler , Munroe Chloe J. , Theriault Hannah , Wood Travis M. , Albig Allan R.
Published: January 2024

Notch signaling is universally conserved in metazoans where it is important for a wide variety of both normal and abnormal physiology. All four mammalian Notch receptors are activated by a conserved mechanism that releases Notch intracellular domains (NICDs) from the plasma membrane to translocate to the nucleus. Once there, NICDs interact through highly conserved ankyrin domains to form head-to-head homodimers on Notch sensitive promoters and stimulate transcription. Due to the highly conserved nature of these Notch ankyrin domains in all four mammalian Notch proteins, we hypothesized that NICDs may also engage in heterodimerization. Our results reveal the presence of two NICD dimerization states that can both engage in homo and heterodimerization. Using a Co-IP approach, we show that all NICD’s can form non-transcriptionally active dimers and that the N4ICD appears to perform this function better than the other NICDs. Using a combination of ChIP analysis and transcriptional reporter assays, we also demonstrate the formation of transcriptionally active heterodimers that form on DNA. In particular, we demonstrate heterodimerization between the N2ICD and N4ICD and show that this heterodimer pair appears to exhibit differential activity on various Notch sensitive promoters. These results illustrate a new diversification of Notch signaling mechanisms which will help us better understand basic Notch function.
Enhanced electrical properties of amorphous In-Sn-Zn oxides through heterostructuring with Bi2Se3 topological insulators
Authors: Wang Chih-Chiang , Lo An-Ya , Cheng Ming-Che , Chang Yu-Sung , Shih Han-Chang , Shieu Fuh-Sheng , Tseng Tzu-Hsien , Tsai He-Ting
Published: January 2024

Amorphous indium tin zinc oxide (a-ITZO)/Bi2Se3 nanoplatelets (NPs) were fabricated using a two-step procedure. First, Bi2Se3 NPs were synthesized through thermal chemical vapor deposition at 600 °C on a glass substrate, and then a-ITZO was deposited on the surface of the Bi2Se3 NPs via magnetron sputtering at room-temperature. The crystal structures of the a-ITZO/Bi2Se3 NPs were determined via X-ray diffraction spectroscopy and high-resolution transmission electron microscopy. The elemental vibration modes and binding energies were measured using Raman spectroscopy and X-ray photoelectron spectroscopy. The morphologies were examined using field-emission scanning electron microscopy. The electrical properties of the a-ITZO/Bi2Se3 NPs were evaluated using Hall effect measurements. The bulk carrier concentration of a-ITZO was not affected by the heterostructure with Bi2Se3. In the case of the Bi2Se3 heterostructure, the carrier mobility and conductivity of a-ITZO were increased by 263.6% and 281.4%, respectively, whereas the resistivity of a-ITZO was reduced by 73.57%. This indicates that Bi2Se3 significantly improves the electrical properties of a-ITZO through its heterostructure, expanding its potential applications in electronic and thermoelectric devices.
A machine learning-based classification model to support university students with dyslexia with personalized tools and strategies
Authors: Zingoni Andrea , Taborri Juri , Calabrò Giuseppe
Published: January 2024

Dyslexia is a specific learning disorder that causes issues related to reading, which affects around 10% of the worldwide population. This can compromise comprehension and memorization skills, and result in anxiety and lack of self-esteem, if no support is provided. Moreover, this support should be highly personalized, to be actually helpful. In this paper, a model to classify the most useful methodologies to support students with dyslexia has been created, with a focus on university alumni. The prediction algorithm is based on supervised machine learning techniques; starting from the issues that dyslexic students experience during their career, it is capable of suggesting customized support digital tools and learning strategies for each of them. The algorithm was trained and tested on data acquired through a self-evaluation questionnaire, which was designed and then spread to more than 1200 university students. It allowed 17 useful tools and 22 useful strategies to be detected. The results of the testing showed an average prediction accuracy higher than 90%, which rises to 94% by renouncing to guess the less-predictable 8 tools/strategies. In the light of this, it is possible to state that the implemented algorithm can achieve the set goal and, thus, reduce the gap between dyslexic and non-dyslexic students. This achievement paves the way for a new modality of facing the problem of dyslexia by university institutions, which aims at modifying teaching activities toward students’ needs, instead of simply reducing their study load or duties. This complies with the definition and the aims of inclusivity.
Passenger muscle responses in emergency braking events with reclined seating
Authors: Ren Lihai , Kang Yuze , Tan Zheng , Jiang Chengyue , Hu Yuanzhi
Published: January 2024

Emergency braking can generate forward displacement that may influence the effectiveness of protection in collisions, especially for passengers. The development of automated vehicles has enabled the diversification and rationalization of sitting positions, including reclined seating. However, the passenger response in pre-crash scenarios in reclined seating differs from that in standard seating, which poses different requirements for biofidelic human body models (HBMs) to evaluate passenger injuries in collisions. This study conducted emergency braking trials in vehicles at an initial velocity of 80 km/h. Five volunteers were exposed to approximately 1 g manual emergency braking (MEB), and the muscle responses at the front passenger seat with backrest angles of 25°, 45°, and 65° were recorded. The electromyography obtained from 14 muscles of the neck, torso, and lower extremity were normalized using maximum voluntary contractions (MVCs). In the quiet sitting phase, the activity levels were low (< 5% MVC) in all muscles for the three sitting positions. During emergency braking, the muscles are activated to restrict the body motion. There were differences in muscle amplitude and onset time in different backrest angles, with higher muscle activity levels in most muscles in a reclined sitting position. In particular, the sternocleidomastoid, rectus abdominis, and vastus medialis showed different patterns in the peak and steady-state phases. We found that the tibialis anterior was consistently activated at a lower level in all sitting postures (< 8% MVC), which indicates limited support of the shank for the body. The data provided in the paper are presented in corridors and intended for use in the development and validation of HBMs with active muscle models to simulate evasive maneuvers that potentially occur before a crash in the reclined sitting position.
The role of physical literacy and mindfulness on health-related quality of life among college students during the COVID-19 pandemic
Authors: Gao Tian Yu , Huang Fu Hua , Liu Ting , Sum Raymond Kim Wai , De Liu Jin , Tang Di , Cai Ding Yi , Jiang Zi Kang , Ma Rui Si
Published: January 2024

This study aimed to examine the role played by the physical literacy and mindfulness in the health-related quality of life (QoL) of college students. In early 2022, 24,236 college students from three universities in southern China were recruited in the study. R software and the lavvan package was utilized to build the structural equation model. The measurement model was composed of three latent factors (physical literacy, mindfulness, and quality of life) and 16 observed variables in total. The results of the measurement model indicated goodness fit with p > .05 in Chi-square result, and GFI = .92. In addition, the comparative fit index (.92), Tucker–Lewis index (.91), root-mean-square error of approximation (.07), and root of mean square residual (.11) were in accord with the cutoff model-fit criteria. The results confirm that physical literacy and mindfulness can play a significant and positive role in the structural equation model of quality of life. In addition, this study provides initial evidence that mindfulness and physical literacy could potentially buffer declines in student QoL during the COVID-19 pandemic. Moreover, this study is the first to develop a structural equation model of QoL with multiple indicators, making it a strong addition to existing research on QoL during a pandemic.
Quantitative MRI-based radiomics analysis identifies blood flow feature associated to overall survival for rectal cancer patients
Authors: Knuth Franziska , Tohidinezhad Fariba , Winter René M. , Bakke Kine Mari , Negård Anne , Holmedal Stein H. , Ree Anne Hansen , Meltzer Sebastian , Traverso Alberto , Redalen Kathrine Røe
Published: January 2024

Radiomics objectively quantifies image information through numerical metrics known as features. In this study, we investigated the stability of magnetic resonance imaging (MRI)-based radiomics features in rectal cancer using both anatomical MRI and quantitative MRI (qMRI), when different methods to define the tumor volume were used. Second, we evaluated the prognostic value of stable features associated to 5-year progression-free survival (PFS) and overall survival (OS). On a 1.5 T MRI scanner, 81 patients underwent diagnostic MRI, an extended diffusion-weighted sequence with calculation of the apparent diffusion coefficient (ADC) and a multiecho dynamic contrast sequence generating both dynamic contrast-enhanced and dynamic susceptibility contrast (DSC) MR, allowing quantification of Ktrans, blood flow (BF) and area under the DSC curve (AUC). Radiomic features were extracted from T2w images and from ADC, Ktrans, BF and AUC maps. Tumor volumes were defined with three methods; machine learning, deep learning and manual delineations. The interclass correlation coefficient (ICC) assessed the stability of features. Internal validation was performed on 1000 bootstrap resamples in terms of discrimination, calibration and decisional benefit. For each combination of image and volume definition, 94 features were extracted. Features from qMRI contained higher prognostic potential than features from anatomical MRI. When stable features (> 90% ICC) were compared with clinical parameters, qMRI features demonstrated the best prognostic potential. A feature extracted from the DSC MRI parameter BF was associated with both PFS (p = 0.004) and OS (p = 0.004). In summary, stable qMRI-based radiomics features was identified, in particular, a feature based on BF from DSC MRI was associated with both PFS and OS.
A novel portable flip-phone based visual behaviour assay for zebrafish
Authors: Rodwell Vanessa , Birchall Annabel , Yoon Ha-Jun , Kuht Helen J. , Norton William H. J. , Thomas Mervyn G.
Published: January 2024

The optokinetic reflex (OKR) serves as a vital index for visual system development in early life, commonly observed within the first six months post-birth in humans. Zebrafish larvae offer a robust and convenient model for OKR studies due to their rapid development and manageable size. Existing OKR assays often involve cumbersome setups and offer limited portability. In this study, we present an innovative OKR assay that leverages the flexible screen of the Samsung Galaxy Z Flip to optimize setup and portability. We conducted paired slow-phase velocity measurements in 5-day post-fertilization (dpf) zebrafish larvae (n = 15), using both the novel flip-phone-based assay and a traditional liquid–crystal display (LCD) arena. Utilizing Bland–Altman plots, we assessed the agreement between the two methods. Both assays were efficacious in eliciting OKR, with eye movement analysis indicating high tracking precision in the flip-phone-based assay. No statistically significant difference was observed in slow-phase velocities between the two assays (p = 0.40). Our findings underscore the feasibility and non-inferiority of the flip-phone-based approach, offering streamlined assembly, enhanced portability, and the potential for cost-effective alternatives. This study contributes to the evolution of OKR assay methodologies, aligning them with emerging research paradigms.
Assessment of the renal angina index in patients hospitalized in a cardiac intensive care unit
Authors: Sakaguchi Eirin , Naruse Hiroyuki , Ishihara Yuya , Hattori Hidekazu , Yamada Akira , Kawai Hideki , Muramatsu Takashi , Tsuboi Yoshiki , Fujii Ryosuke , Suzuki Koji , Ishii Junnichi , Saito Kuniaki , Sarai Masayoshi , Yanase Masanobu , Ozaki Yukio , Izawa Hideo
Published: January 2024

The renal angina index (RAI) is a validated scoring tool for predicting acute kidney injury (AKI). We investigated the efficacy of the RAI in 2436 heterogeneous patients (mean age, 70 years) treated in cardiac intensive care units (CICUs). The RAI was calculated from creatinine and patient condition scores. AKI was diagnosed by the Kidney Disease: Improving Global Outcome criteria. The primary and secondary endpoints were the development of severe AKI and all-cause mortality, respectively. Four hundred thirty-three patients developed AKI, 87 of them severe. In multivariate analyses, the RAI was a significant independent predictor of severe AKI. During the 12-month follow-up period, 210 patients suffered all-cause death. Elevated RAI was independently associated with all-cause mortality, as was NT-proBNP (p < 0.001). The RAI is a potent predictor not only of severe AKI but also of adverse outcomes and substantially improved the 12-month risk stratification of patients hospitalized in CICUs.
Tremor clustering reveals pre-eruptive signals and evolution of the 2021 Geldingadalir eruption of the Fagradalsfjall Fires, Iceland
Authors: Zali Zahra , Mousavi S. Mostafa , Ohrnberger Matthias , Eibl Eva P. S. , Cotton Fabrice
Published: January 2024

Analyzing seismic data in a timely manner is essential for potential eruption forecasting and early warning in volcanology. Here, we demonstrate that unsupervised machine learning methods can automatically uncover hidden details from the continuous seismic signals recorded during Iceland’s 2021 Geldingadalir eruption. By pinpointing the eruption’s primary phases, including periods of unrest, ongoing lava extrusion, and varying lava fountaining intensities, we can effectively chart its temporal progress. We detect a volcanic tremor sequence three days before the eruption, which may signify impending eruptive activities. Moreover, the discerned seismicity patterns and their temporal changes offer insights into the shift from vigorous outflows to lava fountaining. Based on the extracted patterns of seismicity and their temporal variations we propose an explanation for this transition. We hypothesize that the emergence of episodic tremors in the seismic data in early May could be related to an increase in the discharge rate in late April.
Global conservation priorities for wetlands and setting post-2025 targets
Authors: Yi Qu , Huixin Gong , Yaomin Zheng , Jinlian Shi , Xingyu Zeng , Huize Yang , Jiaxin Wang , Zhenguo Niu , Liping Li , Shudong Wang , Tianjie Zhao , Yue Cao , Zongming Wang , Dehua Mao , Mingming Jia , Ke Guo , Peng Gong , Guofa Cui , Xiankai Huang
Published: January 2024

Wetland conservation is becoming increasingly important as wetland areas decline globally. However, no comprehensive global-scale mapping of wetland conservation priorities and targets has been published. This information is needed to extend the current protected area network and improve the conservation efficiency for wetlands. Here, we propose a cost-effective assessment model for wetland conservation by integrating wetland conservation value- and human impact-related indicators to identify global wetland conservation priorities. These priorities cover 28% of the potential global wetland distribution, and of that, only 44% is currently protected by existing protected areas. To protect more wetland conservation priorities, we propose three target-setting scenarios for protected area expansion that offer additional contributions of 9.40%, 42.40%, and 55.97%, respectively. These three global targets can be downscaled to the national level and used to update national wetland biodiversity conservation strategies and action plans under a harmonized legal and regulatory regime at different scales and jurisdictions.
Liquid-shaped microlens for scalable production of ultrahigh-resolution optical coherence tomography microendoscope
Authors: Xu Chao , Guan Xin , Abbasi Syeda Aimen , Xia Neng , Ngai To , Zhang Li , Ho Ho-Pui , Ng Sze Hang Calvin , Yuan Wu
Published: January 2024

Endoscopic optical coherence tomography (OCT) is a valuable tool for providing diagnostic images of internal organs and guiding interventions in real time. Miniaturized OCT endoscopes are essential for imaging small and convoluted luminal organs while minimizing invasiveness. However, current methods for fabricating miniature fiber probes have limited ability to correct optical aberrations, leading to suboptimal imaging performance. Here we introduce a liquid shaping technique for the rapid and scalable fabrication of ultrathin and high-performance OCT microendoscopes suitable for minimally invasive clinical applications. This technique enables the flexible customization of freeform microlenses with sub-nanometer optical surface roughness by regulating the minimum energy state of curable optical liquid on a wettability-modified substrate and precisely controlling the liquid volume and physical boundary on a substrate. Using this technique, we simultaneously fabricated 800-nm OCT microendoscopes with a diameter of approximately 0.6 mm and evaluated their ultrahigh-resolution imaging performance in the esophagus of rats and the aorta and brain of mice.
A benzoxazole-triphenylamine conjugated fluorogenic probe for specific detection of sarin gas mimic diethylchlorophosphate
Authors: Sultana Tuhina , Mahato Manas , Tohora Najmin , Ahamed Sabbir , Maiti Arpita , Ghanta Susanta , Das Sudhir Kumar
Published: January 2024

A benzoxazole-triphenylamine conjugated fluorogenic probe has been introduced for the detection of sarin gas mimic diethylchlorophosphate (DCP) in solution and gaseous phases along with an actual sample analysis in spiked soil samples.
Amorphous phosphorus oxynitride as a robust catalyst for steam-free direct dehydrogenation of ethylbenzene to styrene: effect of calcination temperature
Authors: Luo Lukai , Ma Yuan , Liu Yuwei , Lin Baining , Guo Chaojun , Gong Jun , Xie Yating , Zhou Yonghua
Published: January 2024

A metal-free catalyst of phosphorus oxynitride (simplified as PNO) for direct dehydrogenation (DDH) of ethylbenzene was synthesized via calcinating hexachlorocyclotriphosphazene (HCCP) under an ammonia–oxygen atmosphere.
Catalysis on the move
Authors: Unciti-Broceta Asier , Rebrov Evgeny
Published: January 2024

Guest Editors Asier Unciti-Broceta and Professor Evgeny Rebrov introduce this cross-journal collection of articles, showcasing research work presented at the 2nd International Conference on Unconventional Catalysis, Reactors & Applications held on September 21–23, 2022, in Leamington Spa, UK.
A machine learning approach toward generating the focused molecule library targeting CAG repeat DNA
Authors: Chen Qingwen , Yamada Takeshi , Murata Asako , Sugai Ayako , Matsushita Yasuyuki , Nakatani Kazuhiko
Published: January 2024

This study reports a machine learning-based classification approach with surface plasmon resonance (SPR) labeled data to generate a focused molecule library targeting CAG repeat DNA.
Lipid nanoparticles as efficient verteporfin nanocarriers for photodynamic therapy of cancer
Authors: Mendes Tomás , Granja Andreia , Reis Salette
Published: January 2024

A lipid nanoformulation was developed for encapsulating the photosensitizer verteporfin. Upon irradiation with a LED at 690 nm the nanoparticles demonstrated a dose-dependent anti-cancer effect an enhanced production of reactive oxygen species.
Digestion of lipid micelles leads to increased membrane permeability
Authors: Xie Jun , Pink Demi L. , Jayne Lawrence M. , Lorenz Christian D.
Published: January 2024

Our all-atom molecular dynamics simulations characterize the interactions of a short chain lipid and its digestion products with disordered & ordered lipid membranes, and provide a mechanistic understanding of the resulting permeability enhancement.
Theoretical prediction on the stability, elastic, electronic and optical properties of MAB-phase M4AlB4 compounds (M = Cr, Mo, W)
Authors: Lu Yaoping , Li Titao , Li Kangjie , Hao Derek , Chen Zuxin , Zhang Haizhong
Published: January 2024

Mo4AlB4 and W4AlB4 are two 414-type MAB phase compounds that can be stabilized. Mo4AlB4 may be readily prepared as the corresponding MBene material. W4AlB4 may be an ideal candidate for EUV reflective coating.
Novel pyrazoline linked acyl thiourea pharmacophores as antimicrobial, urease, amylase and α-glucosidase inhibitors: design, synthesis, SAR and molecular docking studies
Authors: Saeed Aamer , Ahmed Atteeque , Haider Main Bilal , Ismail Hammad , Hayat Khizar , Shabir Ghulam , El-Seedi Hesham R.
Published: January 2024

IC50 values of the new synthesized pyrazoline-acyl thioureas revealed 5b and 5g as potent urease inhibitors. Whilst compound 5b is a potent α-glucosidase inhibitor, compound 5f is a potent amylase inhibitor, compound 5b is a potent antioxidant.
Facile synthesis of morphology-controlled hybrid structure of ZnCo2O4 nanosheets and nanowires for high-performance asymmetric supercapacitors
Authors: Fan Huiqing , Di Hexiang , Bi Yanlei , Wang Ru , Wen Guangwu , Qin Lu-Chang
Published: January 2024

We controllably synthesize 3D hierarchical porous ZnCo2O4 nanosheets@nanowires films directly on Ni foam by tuning the amount of NH4F as a morphology controlling agent. The as-prepared ZnCo2O4 electrodes exhibit superior electrochemical performance.
Effects of isotropic strain on the structure and transport properties of half-Heusler alloy BiBaK: a first-principles investigation
Authors: Wei Junhong , Guo Yongliang , Wang Guangtao
Published: January 2024

We systematically investigated the effects of tensile and compressive strains on the elastic properties, phonon dispersion relation, electronic structure, and transport properties of the half-Heusler compound BiBaK.
Molecular dynamics simulation of crack propagation in very small grain size nanocopper with different grain size gradients
Authors: Xian Fankai , Zhou Jinjie , Lian Xiaofeng , Shen Jinchuan , Chen Yuepeng
Published: January 2024

In this paper, we use MD to simulate the crack propagation behavior of GNG copper models with different grain size gradients, analyze the microstructural variations of each model and its crack propagation mechanism.
Photocatalytic intermolecular bromonitroalkylation of styrenes: synthesis of cyclopropylamine derivatives and their evaluation as LSD1 inhibitors
Authors: Kim Darong , Jeon Hui-Jeon , Kwak Yoonna , Lee Sun Joo , Nam Tae-Gyu , Yu Ji Hoon , An Hongchan , Hong Ki Bum
Published: January 2024

A mild and efficient method for photoredox-catalyzed bromonitroalkylation of alkenes is described herein.
Chlorobenzene-driven palladium-catalysed lactonisation of benzoic acids
Authors: Abe Masahiro , Mizukami Akiho , Yoshida Emi , Kimachi Tetsutaro , Inamoto Kiyofumi
Published: January 2024

Herein, we developed a palladium-catalysed C–H cyclisation of benzoic acids in chlorobenzene without additional oxidants.
A high throughput synthetic workflow for solid state synthesis of oxides
Authors: Hampson Christopher J. , Smith Moli P. , Arciero Luca L. , Collins Christopher M. , Daniels Luke M. , Manning Troy D. , Gaultois Michael W. , Claridge John B. , Rosseinsky Matthew J.
Published: January 2024

A slurry based solid-state high-throughput workflow provides sample forms suitable for presenting to automated characterisation for the discovery of new oxide materials.
Outperforming the market: a comparison of Star and NonStar analysts’ investment strategies and recommendations
Authors: Vukovic Darko B. , Kurbonov Orifjon O. U. , Maiti Moinak , Özer Mustafa , Radovanovic Milan
Published: January 2024

We employ StarMine to investigate the impact of analyst recommendations on stock performance. We test whether star-ranked analysts generate abnormal returns and outperform non-stars in short and long portfolios. Utilizing buy-and-hold calendar-time portfolio methodology, we calculate portfolio alphas using various asset pricing models, including CPM, the Fama and French 3-factor model, and the Carhart 4-factor model. Results indicate that all analyst groups can generate abnormal returns exceeding the market average. Star-ranked analysts outperform non-stars in short portfolios by 0.5523% in monthly alpha, though no significant difference exists in long portfolio alphas. We also conduct regressor endogeneity tests and explore investor sentiment mechanisms by utilizing the GARCH model and frequency-domain causality analysis, with NASDAQ as a proxy for investor sentiment. These tests reveal that the momentum factor is exogenous, and investor sentiments have a statistically significant positive effect on stock return volatility, with changes occurring between 5 and 10 days. This research underscores the value of analyst insights for investors, validates StarMine’s ranking effectiveness, and suggests market participants can benefit from incorporating analyst recommendations into their investment decisions. Our study makes a significant contribution to the existing literature by introducing a novel approach to understanding investor sentiment mechanisms through a causality model.
Vacuum experiment recreates spacecraft landing hazard
Authors: Thompson Avery
Published: January 2024

Debris kicked up by landing thrusters can damage spacecraft, and data from a vacuum chamber experiment can inform strategies to minimize it.
Study of the spatial growth of stimulated Brillouin scattering in a gas-filled hohlraum via detecting the driven ion acoustic wave
Authors: Chen Chaoxin , Gong Tao , Li Zhichao , Hao Liang , Liu Yonggang , Liu Xiangming , Zhao Hang , Liu Yaoyuan , Pan Kaiqiang , Li Qi , Li Sanwei , Li Zhijun , Jin Sai , Wang Feng , Yang Dong
Published: January 2024

In an experiment performed on the Shenguang-III prototype laser facility, collective Thomson scattering (TS) is used to study the spatial growth of stimulated Brillouin scattering (SBS) in a gas-filled hohlraum by detecting the SBS-driven ion acoustic wave. High-quality time-resolved SBS and TS spectra are obtained simultaneously in the experiment, and these are analyzed by a steady-state code based on the ray-tracing model. The analysis indicates that ion–ion collisions may play an important role in suppressing SBS growth in the Au plasma; as a result, the SBS excited in the filled gas region is dominant. In the early phase of the laser pulse, SBS originates primarily from the high-density plasma at the edges of the interaction beam channel, which is piled up by the heating of the interaction beam. Throughout the duration of the laser pulse, the presence of the TS probe beam might mitigate SBS by perturbing the density distribution around the region overlapping with the interaction beam.
Australian indigenous edible halophytes — nutritious and functional for a sustainable future: antioxidant capacity and antimicrobial properties
Authors: Srivarathan Sukirtha , Phan Anh Dao Thi , Seididamyeh Maral , Wright Olivia R.L. , Sultanbawa Yasmina , Netzel Michael E.
Published: January 2024

In recent years, edible halophytes have received more attention due to their ability to tolerate a wide range of salinities. Furthermore, halophytes have long been used for food, feed and medicinal purposes. However, available information on their nutritional profile (including antioxidant compounds) and bioactivity is still very limited. Therefore, the present study investigated the antioxidant capacity and antibacterial activity of three important Australian indigenous edible halophytes, Sesuvium sp. (Seapurslane), Suaeda sp. (Seablite) and Atriplex sp. (Saltbush), to assess their bioactive properties and potential to be used as functional food ingredients. The antioxidant capacity was determined by total phenolic content (TPC), total flavonoid content (TFC) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging capacity and the antimicrobial activity was evaluated using the agar well diffusion method. The methanolic extract of Seapurslane showed the highest TPC (12.5 mg GAE/g DW), TFC (4.3 mg QE/g DW) and DPPH (102.6 μM TE/g DW), followed by Seablite and Saltbush. The ethanolic extract of Seapurslane had antimicrobial activity against Gram positive Staphylococcus aureus bacterium, a predominant food pathogen causing gastroenteritis and other health issues. These initial results are very promising and indicate that Australian-grown halophytes may have the potential to be utilised as novel sources of antioxidant and antimicrobial compounds for different food applications.
A sustainable world requires darkness at night
Authors: Hearnshaw John B.
Published: January 2024

Multiple environmental challenges face today’s world. One of the most damaging but least widely recognized arises from artificial light at night (ALAN). Light pollution is now known to be harmful to human health, mainly through disruption of hormone production and of human circadian rhythm, which causes sleepless nights, depression, anxiety, hypertension, diabetes and contributes to some types of cancer. ALAN is also bad for the environment. Almost all species of animals and plants are adversely impacted by light pollution, and not just nocturnal animals. Light pollution also wastes large amounts of energy, and as much as 35% of exterior lighting energy costs could be saved by better lighting. Light pollution also prevents astronomers and astrotourists being able to see so many stars. Astrotourism is booming in several countries and is beneficial for the local economy, especially so in parts of New Zealand, but this niche form of tourism is endangered by ALAN.
Where are we at with shape-memory alloys in this ‘high-tech’ world?
Authors: Finlayson Trevor R.
Published: January 2024

Some of the basic physics of shape-memory materials is outlined. Shape memory relies on a change in the crystallography of the material via a martensitic transformation. While many alloys show shape-memory properties, only certain materials have ‘made it’ to technological applications. The most notable of these is Nitinol, the commercial name for a nickel‒titanium alloy which was discovered in the US Navy Laboratories almost by accident. The most important current and future applications for Nitinol are, and will continue to be, as various medical devices. The material is most favourable for medical applications, firstly, because it exhibits shape-memory behaviour at very close to body temperature (37°C) and, perhaps equally importantly, only an extremely small percentage of human beings have any allergic reaction to either nickel or titanium. Not so important are magnetic shape-memory materials for which, particularly the material Ni2MnGa, there are increasing numbers of applications requiring the shape-memory behaviour to be controlled by an applied magnetic field. The properties of some shape-memory materials relevant to current applications are summarised and, consistent with the theme of sustainability, some comment is made on the likely future of shape-memory materials in the market place.
Waves that appear from nowhere
Authors: Akhmediev Nail
Published: January 2024

Oceanic rogue waves belong to a well-established class of phenomena but their study is hindered due to the great danger that they represent. They exist not only at the surface of the open ocean but they also hit coastal areas as well as appear internally in deeper layers of the ocean. The amplitude of the latter may exceed several times the amplitude of rogue waves at the surface. Surface rogue waves in the deep ocean represent threat even for large ocean liners while rogue waves in shallow waters are dangerous for coastal structures. On the other hand, internal rogue waves are hazardous for submarines. The experimental research of all three types of rogue waves is difficult. The theory provides certain degree of understanding of such waves. Some of the recent achievements in this area of research are reviewed in this article.
Developmental effects on Daphnia magna induced by titanium dioxide and iron oxide mixtures
Authors: Chorfi Amira , Zebsa Rabah , Boudalia Sofiane , Amari Hichem , Bensouilah Soufyane , Bensakhri Zinette , Djekoun Mohamed , Bensoltane Samira
Published: January 2024

Developmental effects of a binary mixture of nanoparticles (NPs) composed of Titanium dioxide (TiO2) and iron oxide (Fe2O3) were identified in Daphnia magna using a chronic toxicity test. Survival, growth, reproduction, and age at first brood were measured throughout 21 days of exposure. Results from this study demonstrated that mixture exposure to NPs (TiO2 and Fe2O3) significantly affects the development of D. magna to maturation and disturbs the reproductive performance in a dose-dependent manner and beginning from the lower dose. Mortality recorded in control group (1 ± 0.365) was significantly lower than in experimental groups (6.94 ± 0.193, 7.19 ± 0.188, 7.62 ± 0.125, 7.62 ± 0.155 individual, in C1, C2, C3, and C4, respectively). Moreover, swimming performances (F4, 35 = 112.9, df = 4, p < 0.0001) and heart rate (F4, 25 = 19.37, df = 4, p < 0.0001) were also affected. In conclusion, the interaction of binary mixtures can exacerbate toxicological effects that have significant implications for appropriately assessing the ecotoxicological effects of emerging pollutants. Further investigation and the results reported in the present study will be useful in environmental policies.
Large deviations for small noise diffusions over long time
Authors: Budhiraja Amarjit , Zoubouloglou Pavlos
Published: January 2024

We study two problems. First, we consider the large deviation behavior of empirical measures of certain diffusion processes as, simultaneously, the time horizon becomes large and noise becomes vanishingly small. The law of large numbers (LLN) of the empirical measure in this asymptotic regime is given by the unique equilibrium of the noiseless dynamics. Due to degeneracy of the noise in the limit, the methods of Donsker and Varadhan [Comm. Pure Appl. Math. 29 (1976), pp. 389–461] are not directly applicable and new ideas are needed. Second, we study a system of slow-fast diffusions where both the slow and the fast components have vanishing noise on their natural time scales. This time the LLN is governed by a degenerate averaging principle in which local equilibria of the noiseless system obtained from the fast dynamics describe the asymptotic evolution of the slow component. We establish a large deviation principle that describes probabilities of divergence from this behavior. On the one hand our methods require stronger assumptions than the nondegenerate settings, while on the other hand the rate functions take simple and explicit forms that have striking differences from their nondegenerate counterparts.
A case report of a rapidly growing giant coronary pseudoaneurysm: challenges and lessons learned
Authors: Alturkmani Hani J , Vallurupalli Srikanth , Al-Hawwas Malek , Freeland Kristofer T , Uretsky Barry F
Published: January 2024

Background

Coronary pseudoaneurysm is a rare, potentially fatal, complication of coronary intervention. A challenging management case of a giant right coronary pseudoaneurysm is presented.

Case summary

A 56-year-old man presented with an atypical presentation for ST-elevation myocardial infarction. Initial angiogram showed a crescent-shaped ostial lesion with probable connection to the aorta, which disappeared after placing a drug-eluting stent. A few hours later, patient was found to have staph aureus bacteraemia and infective endocarditis for which he received a prolonged antibiotic course. Patient presented a few weeks later with second degree heart block. Echocardiography showed a large cystic lesion adjacent to the right coronary cusp suspicious for a coronary pseudoaneurysm, which was confirmed with angiography. Attempts to treat it with a covered stent were unsuccessful and patient ultimately underwent surgical resection.

Discussion

Coronary pseudoaneurysm develops when there is a contained breach of all three layers of the vessel. It may develop from direct iatrogenic trauma to the vessel wall but can be infectious in aetiology. The treatment approach remains uncertain due to limited evidence. Here, we present the diagnostic and technical challenges of managing such an uncommon entity and discuss an algorithm for management.