bluuebunny/crossref_metadata_2025 huggingface dataset:
Synergistic effects of fly ash on thermal, combustion, and mechanical properties of polypropylene including intumescent flame retardant
Authors: Demiryuğuran Fatih , Usta Nazım
Published: September 2023

In this study, a fly ash (FA), primarily composed of SiO2, Al2O3, Fe2O3, MgO, and CaO, as a synergistic additive (1–5 wt%) was added to enhance the effectiveness of an intumescent flame retardant (IFR) system (25 wt%) in polypropylene (PP). The composites were characterized by various tests to study thermal, combustion, and mechanical properties. Experimental results revealed that both IFR and IFR/FA additions led to early degradation at lower rates, with increased residual mass values. The thermal conductivity coefficient increased up to 16.9% with IFR/FA additions. While the sample containing only IFR met the UL 94 V‐0 requirements with a limiting oxygen index (LOI) value of 30.0%, the addition of 1% and 2% FA satisfied the UL 94 V‐0 criteria with the LOI values of 32.8% and 34.9%, respectively. Cone calorimeter results indicated that IFR had significant positive impacts on the burning characteristics of PP. Furthermore, the incorporation of FA reinforced the char layer formed by IFR, thereby enhancing the fire resistances of the composites. Although the tensile strength and tensile modulus decreased with IFR addition, the Izod impact strength increased. Additionally, FA additions slightly improved the mechanical properties of PP/IFR composites.
Mandibular anatomy of the paracryptodire Glyptops ornatus supports active hunting behavior in a Jurassic turtle
Authors: Evers Serjoscha W.
Published: September 2023

The mandible of turtles is rich in osteological characters that are relevant for systematic purposes. Shape variation additionally reflects upon various feeding strategies and are thus informative for the palaeoecological interpretation of extinct species based on fossils. The mandibular anatomy of non‐baenid paracryptodires has so far been undescribed. Based on digital segmentation of a computed tomography scan, I herein describe the mandible of the pleurosternid paracryptodire Glyptops ornatus. This taxon has a slender and gracile jaw, with weakly developed muscle attachment sites for adductor muscles (i.e., adductor fossa, coronoid process, and retroarticular process) and strongly reduced triturating ridges. These features are typical for suction‐feeding aquatic hunters, thereby contrasting with the robust, durophagous‐adapted mandibles of many baenid or compsemydid paracryptodires. In addition, the mandible of G. ornatus is characterized by the presence of a large splenial with a dorsal splenial–dentary contact, the presence of a splenial foramen, and the strong reduction of the foramen dentofaciale majus and the absence of a posterior intermandibular foramen.
A study on the vertebral column of the dice snake Natrix tessellata (Serpentes, Natricidae) from Denizli (western Anatolia, Turkey)
Authors: Akat Çömden Esra , Yenmiş Melodi , Kytyr Daniel , Ayaz Dinçer , Bayrakci Yusuf
Published: September 2023

The vertebral anatomy of snakes has attracted the attention of researchers for decades and numerous studies have been made for extinct and extant species. The present study investigated the morphological variations in vertebral structure among different vertebral regions in the dice snake Natrix tessellata, and provides a detailed anatomical and microstructural description of the vertebral column. Vertebrae were analyzed and compared using x‐ray imaging, scanning electron microscopy, micro‐computed tomography, and histological techniques. The vertebral column of N. tessellata is divided into three regions: precloacal, cloacal, and caudal. Unlike in many other tetrapods and snakes, the atlas of N. tessellata does not form a complete ring. It has a flat and roughly trilobate shape with a prominent middle lobe. The axis has two hypapophyses. The anterior precloacal region of the vertebral column has longer and more paddle‐shaped hypapophyses, distinguishing it from the posterior and mid‐trunk vertebrae. The anterior cloacal vertebrae have a short hypapophysis rather than a hemal keel, and the lymphapophysis extends outward, curving slightly. The cotyle and condyle of the caudal vertebrae exhibited a closer resemblance to a rounded shape, while the pleurapophysis extended ventrolaterally and curved ventrally near its distal end. Paired hemapophyses were present at the posterior‐most point of the centrum instead of a hypapophysis. In light of previous fossil findings, our anatomical comparison of the vertebral and transverse processes indicates that the extant Natrix has a more flexible and less rigid spine than its ancestors. Overall, the vertebral differences among snake anatomical regions or taxa are a testament to the remarkable diversity and adaptability of these fascinating reptiles.
Transition‐Metal‐Catalyzed 1,2‐Diaminations of Olefins: Synthetic Methodologies and Mechanistic Studies
Authors: Kumar Ravinder
Published: September 2023

1,2‐Diamines are synthetically important motifs in organo‐catalysis, natural products, and drug research. Continuous utilization of transition‐metal based catalyst in direct 1,2‐diamination of olefines, in contrast to metal‐free transformations, with numerous impressive advances made in recent years (2015–2023). This review summarized contemporary research on the transition‐metal catalyzed/mediated [e. g., Cu(II), Pd(II), Fe(II), Rh(III), Ir(III), and Co(II)] 1,2‐diamination (asymmetric and non‐asymmetric) especially emphasizing the recent synthetic methodologies and mechanistic understandings. Moreover, up‐to‐date discussion on (i) paramount role of oxidant and catalyst (ii) key achievements (iii) generality and uniqueness, (iv) synthetic limitations or future challenges, and (v) future opportunities are summarized related to this potential area.
Utility of the food colorant erythrosine B as an effective green probe for quantitation of the anticancer sunitinib. Application to pharmaceutical formulations and human plasma
Authors: El Sharkasy Mona E. , Tolba Manar M. , Belal Fathalla , Walash Mohamed I. , AboShabana Rasha
Published: September 2023

Sunitinib is a tyrosine kinase inhibitor used for the treatment of renal cell carcinoma and gastrointestinal stromal tumors. In this study, two spectroscopic methods, spectrofluorometric and spectrophotometric, were utilized to quantify sunitinib in different matrices. In method I, the native fluorescence of erythrosine B was quenched by forming ion‐pair complex with increasing quantities of sunitinib. This approach was utilized for measuring sunitinib in its dosage forms and spiked plasma. After excitation at 528 nm, the quenching of fluorescence is linearly related to the concentration across the range of 0.05–0.5 μg mL−1 at 550 nm in Britton–Robinson buffer (pH 4.0), with a correlation value of 0.9999 and a high level of sensitivity with detection limit down to 10 ng mL−1. Method II relies on spectrophotometric measurements of the produced complex at 550 nm across a range of 0.5–10.0 μg mL−1, with good correlation value of 0.9999. This method has a detection limit down to 0.16 μg mL−1. The proposed methodologies were validated according to International Conference on Harmonization (ICH) guidelines with satisfactory results. The stoichiometry of the reaction was determined through the application of Job's method, while the mechanism of quenching was investigated by employing the Stern–Volmer plot. The designated methods were used to estimate sunitinib in its capsules and in spiked human plasma. Additionally, the statistical analysis of the data revealed no substantial differences when compared to previous reported spectroscopic method. Green assessment tools provide further details about the eco‐friendly nature of the methods.
On‐column capping of poly dT media‐tethered mRNA accomplishes high capping efficiency, enhanced mRNA recovery, and improved stability against RNase
Authors: Che Shiyi , Feng Xue , Li Zhengjun , Su Zhiguo , Ma Guanghui , Li Zhikao , Yu Aibing , Liu Minsu , Zhang Songping
Published: September 2023

The messenger RNA (mRNA) 5′‐cap structure is indispensable for mRNA translation initiation and stability. Despite its importance, large‐scale production of capped mRNA through in vitro transcription (IVT) synthesis using vaccinia capping enzyme (VCE) is challenging, due to the requirement of tedious and multiple pre‐and‐post separation steps causing mRNA loss and degradation. Here in the present study, we found that the VCE together with 2′‐O‐methyltransferase can efficiently catalyze the capping of poly dT media‐tethered mRNA to produce mRNA with cap‐1 structure under an optimized condition. We have therefore designed an integrated purification and solid‐based capping protocol, which involved capturing the mRNA from the IVT system by using poly dT media through its affinity binding for 3′‐end poly‐A in mRNA, in situ capping of mRNA 5′‐end by supplying the enzymes, and subsequent eluting of the capped mRNA from the poly dT media. Using mRNA encoding the enhanced green fluorescent protein as a model system, we have demonstrated that the new strategy greatly simplified the mRNA manufacturing process and improved its overall recovery without sacrificing the capping efficiency, as compared with the conventional process, which involved at least mRNA preseparation from IVT, solution‐based capping, and post‐separation and recovering steps. Specifically, the new process accomplished a 1.76‐fold (84.21% over 47.79%) increase in mRNA overall recovery, a twofold decrease in operation time (70 vs. 140 min), and similar high capping efficiency (both close to 100%). Furthermore, the solid‐based capping process greatly improved mRNA stability, such that the integrity of the mRNA could be well kept during the capping process even in the presence of exogenously added RNase; in contrast, mRNA in the solution‐based capping process degraded almost completely. Meanwhile, we showed that such a strategy can be operated both in a batch mode and in an on‐column continuous mode. The results presented in this work demonstrated that the new on‐column capping process developed here can accomplish high capping efficiency, enhanced mRNA recovery, and improved stability against RNase; therefore, can act as a simple, efficient, and cost‐effective platform technology suitable for large‐scale production of capped mRNA.
Pulvinar quantitative susceptibility mapping predicts visual hallucinations post‐deep brain stimulation in Parkinson's disease
Authors: Matsuura Keita , Ii Yuichiro , Maeda Masayuki , Tabei Ken‐ichi , Satoh Masayuki , Umino Maki , Kajikawa Hiroyuki , Araki Tommohiro , Nakamura Naoko , Matsuyama Hirofumi , Shindo Akihiro , Tomimoto Hidekazu
Published: September 2023

Purpose

We have reported the relationship between low pulvinar nuclei (PN) intensity in susceptibility‐weighted imaging and the appearance of visual hallucinations and cognitive function. The aim of the study was to examine the changes in the quantitative susceptibility mapping (QSM) in patients with Parkinson's disease (PD) who underwent deep brain stimulation (DBS) and verify whether the PN susceptibility value (SV) on QSM can predict visual hallucination and cognitive changes after DBS.

Methods

This study examined 24 patients with PD who underwent DBS along with QSM imaging on magnetic resonance imaging (MRI). All MRIs were performed within 3 months before surgery. The PN SV was further assessed based on the QSM. Then, associations were examined among cognitive changes, hallucination, and PN SV. The cognitive function of the patient was compared immediately before surgery and at 1 year postoperatively.

Results

Visual hallucinations were observed in seven patients during the follow‐up period. The PN SV was ≥0.045 ppm in nine patients with PD, and six of them had visual hallucinations, whereas only one of 15 patients with PD with SV of <0.045 ppm had visual hallucinations (Fisher's exact test, p = .0037).

Conclusions

The SV of >0.045 ppm at the PN in QSM in patients with PD may provide useful information suggesting visual hallucination and cognitive deterioration after DBS treatment.
Firm innovation as a business strategy of CEO power: Does national culture matter?
Authors: Pucheta‐Martínez María Consuelo , Gallego‐Álvarez Isabel
Published: September 2023

The influence of chief executive officer (CEO) power on innovation has only briefly been the subject of study thus far creating a need for further exploration. The purpose of this research is to provide more evidence of the impact of CEO power on innovation as a business strategy. We also address the moderating effect that national culture has on the relationship between CEO power and innovation. The Thomson Reuters database provided the data for this research. The cohort of firms represents different countries, specifically, a sample of firms from 37 countries. To estimate the model, we used the generalised method of moments (GMM) procedure, an estimator that allows the researcher to control for unobservable heterogeneity and endogeneity. GMM also attenuates estimation bias. Our findings reveal that CEO power has a positive effect on innovation. In turn, the dimensions of national culture used here do not have the same moderating effect on the relationship between CEO power and innovation. Power distance and uncertainty avoidance negatively moderate the positive association between CEO power and innovation; individualism and indulgence reinforce the positive effect of CEO power on innovation; masculinity and long‐term orientation do not affect the relationship.
The aryl hydrocarbon receptor maintains antitumor activity of liver resident natural killer cells after partial hepatectomy in C57BL/6J mice
Authors: Sato Koki , Ohira Masahiro , Imaoka Yuki , Imaoka Kouki , Bekki Tomoaki , Doskali Marlen , Nakano Ryosuke , Yano Takuya , Tanaka Yuka , Ohdan Hideki
Published: September 2023

Background

Liver‐resident natural killer (lr‐NK) cells are distinct from conventional NK cells and exhibit higher cytotoxicity against hepatoma via tumor necrosis factor‐related apoptosis‐inducing ligand (TRAIL). However, the mechanism by which partial hepatectomy (PH) significantly suppresses TRAIL expression in lr‐NK cells remains unclear.

Methods

This study aimed to investigate the PH influence on the function and characteristics of liver‐resident NK (lr‐NK) cells using a PH mouse model.

Results

Here, we report that PH alters the differentiation pattern of NK cells in the liver, and an aryl hydrocarbon receptor (AhR) molecule is involved in these changes. Treatment with the AhR agonist 6‐formylindolo[3,2‐b]carbazole (FICZ) inhibited the maturation of NK cells. FICZ increased the immature subtype proportion of NK cells with high TRAIL activity and decreased the mature subtype of NK cells with low TRAIL activity. Consequently, FICZ increased the expression of TRAIL and cytotoxic activity of NK cells in the liver, and this effect was confirmed even after hepatectomy. The participation of AhR promoted FoxO1 expression in the mTOR signaling pathway involved in the maturation of NK cells, resulting in TRAIL expression.

Conclusion

Our findings provide direct in‐vivo evidence that partial hepatectomy affects lrNK cell activity through NK cell differentiation in the liver. Perioperative therapies using an AhR agonist to improve NK cell function may reduce the recurrence of hepatocellular carcinoma after hepatectomy.
NCAA expert clarifies changes to infractions process
Authors: McCarthy Claudine
Published: September 2023

All of the changes to the NCAA infractions process can seem overwhelming and confusing. To help clear things up and make sense of it all, we spoke with Matt Mikrut, J.D., Managing Director for the Office of the Committee on Infractions at the NCAA. The following is an excerpt of our conversation, edited for space and clarity.
Chinese students' attitudes towards US universities in the US–China conflict
Authors: Li Yuqian , Dai Shu , Zhou Xiaoguang , He Kaipeng , Sun Xinyi
Published: September 2023

Globalization has been the catalyst of world economic development in the past decades. However, the phenomenon has recently been severely challenged by a wave of deglobalization. Within this new trend, the conflict between the United States (US) and China has attracted the attention of scholars from various fields because of the two countries' significance in the world economy. In this study, we focus on the higher education sector, which is highly relevant to globalization, and explore the factors that may affect Chinese college students' attitudes towards US universities, including country image, cultural openness, consumer animosity and perceived quality. In particular, we distinguish between cognitive and affective animosity and test their different impacts on students' attitudes. The results show that students' perception of the US's image positively influences attitudes towards the country's universities thanks to the mediation of perceived quality. Moreover, cultural openness and cognitive animosity are positively related to attitudes, whereas affective animosity exerts a negative impact on attitudes. The implications and limitations of this study are also discussed.
Neuromarketing and consumer behavior: A bibliometric analysis
Authors: Kajla Tanveer , Raj Sahil , Kansra Pooja , Gupta S. L. , Singh Nripendra
Published: September 2023

Neuromarketing is the field of studying neural signals to comprehend consumer behavior, which can help improve marketing strategies. In the recent past, scholars have conducted research to enhance the conceptual understanding of neuromarketing by applying bibliometric analysis. However, most studies either had a myopic view or considered a few articles. As a result, existing literature fails to provide a nuanced understanding of neuromarketing. The present research addresses this lacuna using a bibliometric analysis of 383 research articles across different domains from the Scopus database. The research covers the most influential authors, articles, top journals, most prominent countries, and institutions in the neuromarketing field. Next, keyword co‐occurrence analysis reveals major themes such as decision‐making in consumers, marketing and consumer behavior, advertisement, non‐invasive techniques in advertisement effectiveness, ERP and brand extension, brand and fMRI. Finally, analyzing the six thematic areas gives valuable insights into the current research. The study also provides research areas for future researchers by identifying the gaps in the present thematic areas.
Study of the Antioxidant, Antimicrobial, and Wound Healing Properties of Raw Hydrolyzed Extract from Nile Tilapia Skin (Oreochromis niloticus)
Authors: Tozetto Rodrigo , Santos Rocha Beatriz , Assis de Andrade Evelyn , Stolz Cruz Luiza , da Rosa Rosana Letícia , Machinski Isadora , Lemos de Oliveira Évelin , Borges Monteiro Jessica Raquel , Koga Adriana Yuriko , Cavalcante Lipinski Leandro , Meurer Eduardo César , Kitagawa Rodrigo Rezende , Beltrame Flávio Luís
Published: September 2023

Oreochromis niloticus (Nile tilapia) skin is a by‐product of Brazilian fish farming, rich in collagen. The present study aims to evaluate the wound healing, antioxidant, and antimicrobial potential of the raw hydrolyzed extract of Nile tilapia skin, as well as the identification of the main compounds. The in vitro activity was performed using antioxidant, antimicrobial and scratch wound healing assays. An in vivo experiment was performed to evaluate the wound healing potential. On days 1, 7, 14 and 21, the lesions were photographed to assess wound retraction and on the 7th, 14th and 21st days the skins were removed for histological evaluation and the blood of the animals was collected for glutamic oxaloacetic transaminase and glutamic pyruvic transaminase determination. The chemical study was carried out through liquid chromatography‐tandem mass spectrometry and de novo sequencing of peptides. The in vitro assays showed a reduction of the gap area in 24 h, dose‐dependent antimicrobial activity for both bacteria, and antioxidant activity. The chemical analysis highlighted the presence of active biopeptides. The histological evaluation showed that the raw hydrolyzed extract of Nile tilapia skin has a healing potential, and does not present toxicological effects; therefore, is promising for the treatment of wounds.
In Silico and in Vitro Biological Evaluation of Novel Serial Sulfonate Derivatives on Pancreatic Lipase Activity
Authors: Yetişsin Fuat , Korkmaz Adem , Kaya Esin
Published: September 2023

The novel benzothiazole sulfonate hybrid derivatives containing azomethine group were synthesized and characterized using 1H‐NMR, 13C‐NMR, and HR‐MS analysis. The potential enzyme inhibition activities against pancreatic lipase of the novel benzothiazole sulfonate hybrid derivatives containing azomethine group were screened with in vitro and in silico methods. IC50 values of compounds 5 b (23.89 μM), 5 i (28.87 μM), and 5 f (30.13±4.32) were found to be more effective pancreatic lipase inhibitors than orlistat (57.75 μM) in vitro studies. Also, the binding affinities of compounds 5 b (−8.7 kcal/mol), 5 i (−8.6 kcal/mol), and 5 f (−8.9 kcal/mol) were found potential inhibitors for pancreatic lipase in silico studies. In addition, the absorption distribution, metabolism, and excretion properties (ADME), molecular properties, toxicity estimation, and bioactivity scores of the synthesized compounds were scanned. It was found to have the ability to cross the brain‐blood barrier for compounds 5 a, 5 b, 5 c, and 5 d. All compounds were calculated to be taken orally as drugs, suitable for absorption in the intestinal tract and not carcinogenic, as well as very strongly bound to plasma proteins. Finally, compound 5 f was observed to be the best inhibitor for pancreatic lipase according to in vitro and in silico studies.
Quasi‐Diamond Platelet‐Shaped Zinc Oxide Nanostructures Display Enhanced Antibacterial Activity
Authors: Araiza‐Campos Aurora , Herrera‐Pérez Guillermo , Salas‐Leiva Joan S. , Chávez‐Beltrán de Río Margarita , Aguirre‐Hernández Alejandro , Luna‐Velasco Antonia , Salas‐Leiva Dayana , Campos‐Chávez Eduardo , Tovar‐Ramírez Dariel , Romo‐Chacón Alejandro , Orrantia‐Borunda Erasmo , Paraguay‐Delgado Francisco
Published: September 2023

The current study compares the antibacterial activity of zinc oxide nanostructures (neZnO). For this purpose, two bacterial strains, Escherichia coli (ATCC 4157) and Staphylococcus aureus (ATCC 29213) were challenged in room light conditions with the aforementioned materials. Colloidal and hydrothermal methods were used to obtain the quasi‐round and quasi‐diamond platelet‐shape nanostructures. Thus, the oxygen vacancy (VO) effects on the surface of neZnO are also considered to assess its effects on antibacterial activity. The neZnO characterization was achieved by X‐ray diffraction (XRD), a selected area electron diffraction (SAED) and Raman spectroscopy. The microstructural effects were monitored by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Furthermore, optical absorption ultraviolet visible spectrophotometry (UV‐Vis) and X‐ray photoelectron spectroscopy (XPS) analyses complement the physical characterization of these nanostructures; neZnO caused 50 % inhibition (IC50) at concentrations from 0.064 to 0.072 mg/mL for S. aureus and from 0.083 to 0.104 mg/mL for E. coli, indicating an increase in activity against S. aureus compared to E. coli. Consequently, quasi‐diamond platelet‐shaped nanostructures (average particle size of 377.6±10 nm) showed enhanced antibacterial activity compared to quasi‐round agglomerated particles (average size of 442.8±12 nm), regardless of Vo presence or absence.
Exploring the Substrate Switch Motif of Aromatic Ammonia Lyases
Authors: Brack Yannik , Sun Chenghai , Yi Dong , Bornscheuer Uwe T.
Published: September 2023

Aromatic ammonia lyases (AALs) are important enzymes for biocatalysis as they enable the asymmetric synthesis of chiral l‐α‐amino acids from the corresponding α,β‐unsaturated precursors. AALs have very similar protein structures and active site pockets but exhibit strict substrate specificity towards tyrosine, phenylalanine, or histidine. Herein, through systematic bioinformatics and structural analysis, we discovered eight new motifs of amino acid residues in AALs. After introducing them – as well as four already known motifs – into different AALs, we learned that altering the substrate specificity by engineering the substrate switch motif in phenylalanine ammonia lyases (PALs), phenylalanine/tyrosine ammonia lyases (PTALs), and tyrosine ammonia lyases (TALs) was only partially successful. However, we discovered that three previously unknown residue combinations introduced a substrate switch from tyrosine to phenylalanine in TAL, which was converted up to 20‐fold better compared to the wild‐type TAL enzyme.
Retrograde balloon hemostasis
Authors: Ungureanu Claudiu , Leone Pier Pasquale , Colletti Giuseppe , Gasparini Gabriele L.
Published: September 2023

Despite improvements in current devices and techniques for complex chronic total occlusion (CTO) percutaneous coronary intervention (PCI), procedural complications, including coronary perforation, still occur and could be life‐threatening. A patient with a history of multivessel coronary artery disease and a CTO of the right coronary artery (RCA) underwent successful retrograde crossing of an RCA CTO. After wiring the CTO body and lesion dilatation, a drug‐eluting stent was implanted in the distal RCA toward the posterior descending artery. A large Ellis type III perforation occurred at the distal edge of the stent. Septal crossing with a balloon and tamponade of the perforation site through the retrograde collaterals followed, as the RCA was not suitable to accommodate easily both the covered stent and the balloon simultaneously. This case report presents a novel approach the “septal retrograde ping‐pong” technique, which demonstrates successful treatment of coronary perforations by utilizing a retrograde approach through a septal collateral. This technique proves to be effective in situations where the conventional antegrade balloon or covered stent delivery methods are not feasible or unsuccessful. This innovative approach offers a promising alternative for managing challenging cases of coronary perforations, providing new insights and potential solutions for interventional cardiologists.
Improving Low‐Temperature CO2 Methanation by Promoting Ni‐Al LDH‐Derived Catalysts with Alkali Metals
Authors: Dias Yan Resing , Bernardi Fabiano , Perez‐Lopez Oscar W.
Published: September 2023

Fossil fuel depletion and environmental impacts caused by greenhouse gas emissions such as CO2 are significant issues securing nature preservation within a sustainable economy. CO2 methanation is a promising process to mitigate CO2 emissions and reuse it to produce CH4, serving as fuel, chemical feedstock, and energy source. A series of LDH‐derived Ni‐Al catalysts promoted by Li, Mg, Ca, and La were prepared via co‐precipitation. Characterization by N2 physisorption, X‐ray diffraction (XRD) and photoelectron spectroscopy (XPS), as well as thermal techniques such as temperature programmed reduction (H2‐TPR), desorption (CO2‐TPD, H2‐TPD), and oxidation (TPO) analyses were performed. Low‐temperature catalytic tests (200–400 °C) revealed that alkali metal modification improves performance even at 200 °C, where the Ni55Ca11Al33 catalyst achieved 74 % CO2 conversion with 100 % CH4 selectivity by enhancing basicity and metal‐support interaction, high Ni dispersion and small crystallite sizes, providing proper sites to adsorb and activate CO2. Moreover, the catalysts presented excellent resistance to deactivation, maintaining high stability during 10 h on stream. These results prove that Ni‐Al mixed oxides, LDH‐derived catalysts performances can be further improved by incorporating alkali metals into less energy‐spending, low‐temperature CO2 methanation processes.
Unveiling the Collaborative Strategy and Synergistic Effects of Pd/V2O5‐fAC towards Glycerol Electrooxidation
Authors: Matthews Thabo , Chabalala Makhaokane Paulina , Mbokazi Siyabonga Patrick , Dolla Tarekegn Heliso , Mugadza Kudzai , Mashola Tebogo Abigail , Zikhali Memory , Gwebu Surprise Sandile , Carleschi Emanuela , Doyle Bryan Patrick , Maxakato Nobanathi Wendy
Published: September 2023

A series of Pd nanoparticles supported on V2O5 immobilized on functionalized carbon, % Pd (1, 3, and 5) and % V2O5 (10, 20, and 30), were prepared by sodium borohydride‐assisted microwave polyol synthesis for glycerol oxidation reaction (GlyOR) in an alkaline medium. Electrocatalysts loading, temperature, V2O5 immobilization, and their synergistic effect on the electrocatalytic performance are systematically studied. The electrocatalysts′ morphology and electronic properties were investigated using X‐ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, Transmission electron microscopy, and X‐ray photoelectron spectroscopy. A significantly improved GlyOR is observed with increased V2O5 content and Pd percentage. The 5 %Pd/30 %V2O5‐fAC showed the highest mass activity of 2157.3 mA . mgPd−1, a more negative onset potential of 0.62 VRHE, versus the commercial equivalent, and possessed high stability and durability. The increase in electrocatalytic activity is attributed to the effective immobilization of V2O5 on fAC efficient synergism between Pd and V2O5, strong metal support interaction (SMSI), and great exposure of the electroactive sites. The results herein contribute significantly to the understanding of the physicochemical and electrochemical effects of metal oxide immobilization, microwave irradiation, % Pd/% Metal oxide optimization, and SMSI on metal oxide‐carbon hybrid electrocatalysts for GlyOR, opening new avenues for fabricating high‐performance direct alkaline glycerol fuel cells.
Dealing with Significant Noise Levels in Vibration‐based Bridge Health Monitoring? A novel ARMA+Noise algorithm in the Frisch Scheme Context
Authors: Zonzini Federica , Castaldi Paolo , De Marchi Luca
Published: September 2023

System Identification (SysId) refers to an ensemble of methodologies, as the ones built on statistical autoregressive models, which are among the most effective tools for spectral analysis and, by extension, for vibration‐based assessment. However, the application of standard SysId strategies might be hampered by the non‐negligible levels of noise dominating in harsh environments (or those intrinsic to electronic devices). This is especially true in bridge‐related applications, where faint modal components at low frequency are very common. To this end, the ARMA+Noise algorithm is proposed in this work, which is built on a novel frequency‐domain adaptation of the Autogressive with Moving Average (ARMA) model in the Frisch scheme context: the technique is superior in that it can ensure the best trade‐off between the frequency resolution and the hidden signal noise to be identified. A dedicated workflow has been developed, that extracts the ARMA model parameters by combining the advantages of the AR+Noise identification method with the Graupe's algorithm. The validity of the proposed technique has been tested on the Z24 bridge dataset, showing that the ARMA+Noise solution can properly identify the first four modes of the structure, even when the signal‐to‐noise ratio is low.
Importance of Digitalization and Standardization for Bridge and Tunnel Monitoring and Predictive Maintenance
Authors: Weise Matthias , Böhms Michel , Allaix Diego , Sánchez‐Rodríguez Ana , Rigotti Mattia
Published: September 2023

The Horizon 2020 IM‐SAFE project aims to provide input for a mandate for further CEN standardization towards the use of inspection, monitoring and testing for the safety assessment of bridges and tunnels and the implementation of predictive maintenance strategies. Although the focus of this project is on the engineering domain, the use of digitalization is a necessity for the effective and efficient implementation of the proposed work‐ and dataflows. This paper shows what topics related to digitalization are of particular interest, explains the state‐of‐the‐art in those areas and discusses the need and readiness for further ICT standardization. In particular, it focuses on the importance of data interoperability and emphasizes the challenge to consolidate, reuse and harmonize existing standards from BIM, GIS and IoT, rather than developing new standards.
Seismic Response of RC Bridge considering scour effect: A Case Study of Kathmandu Valley
Authors: Shrestha Ashish , Shrestha Bipin , Sahani Kameshwar
Published: September 2023

Bridge foundation scour is one of the major problems for bridges in Nepal. Kathmandu Valley, which is the main economic hub and capital of Nepal lies in a seismically active zone. In this study, a bridge spanning over Bagmati River in the Valley is studied as a reference bridge to assess seismic response of the typical bridge affected by scouring. Modal analysis of the bridge revealed the bridge becomes more flexible when the scour depth of over 2 m is considered. A series of pushover analysis is conducted on the bridge pier with varying level of scour damage. It is observed that with increasing scour the damages are transferred from the bridge piers to the piles. The nonlinear time history analysis revealed that scouring could have beneficial impact in response of pier at the cost of the piles. Scouring also increased the bearing responses and relative displacement between adjacent bridge decks, abutment and deck thus increasing the probability of bearing failure and deck unseating, respectively. Moreover, more frequent pounding occurrences were also observed leading to more severe localized damages at bridge joints.
Chasing Turns and Twists: Unraveling the One‐Step Synthesis, Intricate Pathways, and Structural Revelations of N‐Aryl Aza‐quasi[8]circulenes
Authors: Mallick Sudesh , Kollimalaian Kalidass , Chetti Prabhakar , Parthasarathy Venkatakrishnan
Published: September 2023

An efficient one‐step synthesis of N‐Aryl aza‐quasi[8]circulenes is reported starting from bis(biaryl)carbazoles. The intermediacy of N‐aryl aza[7]helicene is investigated, and the Scholl oxidative cyclization route is invoked here to overcome the large strain during the formation of N‐aryl aza‐quasi[8]circulenes from N‐aryl aza[7]helicene. Notably, this transformation occurs without the need for directing groups and proceeds from a more helical to a less helical pathway. Both the N‐aryl aza[7]helicene and N‐aryl aza‐quasi[8]circulene are confirmed by single crystal X‐ray structural analysis. The enantiomers of N‐aryl aza[7]helicene are separated by chiral HPLC and analyzed by circular dichroism spectroscopy to investigate their chiroptical properties. However, N‐aryl aza‐quasi[8]circulene racemizes rapidly. The radical cations generated from aza‐quasi[8]circulene through chemical oxidation exhibit broad absorption in the near‐IR region and air stability up to 24 h. Optical and electrochemical studies with aza[7]helicene and aza‐quasi[8]circulene derivatives highlight their potential in organic electronic devices.
Metal‐Free Photocatalytic [4+2] Annulation of Acrylamides with 2‐Benzyl‐2‐bromocarbonyls to Assemble Tetralin‐1‐carboxamides
Authors: Li Weicai , Tan Lu , Chen Yijun , Liu Rui , Qi Zhongyu , Yuan Shixuan , Huang Zhanwen , Wei Siping , Du Xi , Yi Dong
Published: September 2023

Comprehensive Summary

Tetralin‐1‐carboxamides are frequently incorporated in myriad medicinally important molecules. However, their existing synthetic routes not only suffer from some drawbacks such as tedious procedures, harsh reaction conditions, narrow substrate scope, low yields, and environmental problems, but are also based upon the elaboration of uneasily available non‐linear tetralin derivatives. Herein, we describe a metal‐ and additive‐free visible light‐induced [4+2] annulation of two simple linear starting materials, namely acrylamides and 2‐benzyl‐2‐bromocarbonyls, through a cascade C(sp3)−Br/C(sp2)−H bond cleavage, double C−C bond formation, and aromatization sequence. The developed protocol provides a convenient, efficient, and green approach to a variety of tetralin‐1‐carboxamide derivatives with good functional group compatibility. Importantly, the resulting products could also undergo the LiCl‐mediated mono‐decarboxylative cyclization process to further furnish the architecturally novel bridged polycyclic imides with excellent cis‐diastereoselectivities.
Risk of malignancy in renal biopsy: A review
Authors: Renshaw Andrew A. , Pitman Martha B.
Published: September 2023

The risks of malignancy for cytologic categories in renal biopsy specimens differ from the risks in most other sites. There are obvious areas in which cytopathologists can do better at classifying these cases, and the routine use of immunohistochemistry and core‐needle biopsy may improve the accuracy of the classification of these specimens.
Thyroid FNA cytology: Impact of the COVID‐19 pandemic and vaccination in a Brazilian series
Authors: de Andrade Natal Rodrigo , Bedin Afonso Resende , Giongo Aline Alencar , Dias Everton Mesquita , Paschoalini Rafael Bispo , Volpato Arthur Henrique Cunha , Melo André Luís Alves de , Santos Caio de Carvalho , Delgado Ana Lídia Jacintho , Dufloth Rozany Mucha , Soares Fernando Augusto , da Cunha Santos Gilda
Published: September 2023

Background

The coronavirus disease 2019 pandemic prompted changes in medical practice, with a reduction in cytopathology volumes and a relative increase in the malignancy rate during lockdown and the initial postlockdown period. To date, no study has evaluated the impact of these changes on the volume of rapid on‐site evaluation (ROSE) or on the frequency of cases according to The Bethesda System for Reporting Thyroid Cytopathology (TBSRTC) categories after vaccination.

Methods

Ultrasound‐guided thyroid fine‐needle aspiration (FNA) and ROSE assessments performed from January 2019 to May 2022 were evaluated retrospectively according to TBSRTC categories for three periods: prepandemic (period 1), from transmission to expansion (period 2), and after vaccination (period 3).

Results

There were 7531 nodules from 5815 patients. FNA cases increased throughout the pandemic despite a drop during lockdown. The frequency of TBSRTC categories changed. Nondiagnostic cases had an increase of 18.1% in period 2 and 76.2% after vaccination compared with prepandemic levels. Malignant cases increased from 2.3% to 4.2% in period 2 and to 5.1% in period 3, representing increases of 83.1% and 121.2%, respectively, compared with period 1. Data corrected by time showed increases in categories IV, V, and VI and a decrease in benign nodules during the two pandemic periods. ROSE was performed in 787 cases during the prepandemic period, and there were decreases of 29.4% and 22.8% in periods 2 and 3, respectively. The ROSE‐to‐category I ratio was reduced significantly after vaccination.

Conclusions

Increased volume with sustained lower benign rates and higher malignant rates before and after vaccination indicate better selection of patients for FNA. A worse adequacy rate was correlated with a decrease in the number of ROSE assessments.
Computational performance of musculoskeletal simulation in OpenSim Moco using parallel computing
Authors: Denton Alex N. , Umberger Brian R.
Published: September 2023

Optimal control musculoskeletal simulation is a valuable approach for studying fundamental and clinical aspects of human movement. However, the high computational demand has long presented a substantial challenge, creating a need to improve simulation performance. The OpenSim Moco software package permits musculoskeletal simulation problems to be solved in parallel on multicore processors using the CasADi optimal control library, potentially reducing the computational demand. However, the computational performance of this framework has not been thoroughly examined. Thus, we aimed to investigate the computational speed‐up obtained via multicore parallel computing relative to solving problems serially (i.e., using a single core) in optimal control simulations of human movement in OpenSim Moco. Simulations were solved using up to 18 cores with a variety of temporal mesh interval densities and using two different initial guess strategies. We examined a range of musculoskeletal models and movements that included two‐ and three‐dimensional models, tracking and predictive simulations, and walking and reaching tasks. The maximum overall parallel speed‐up was problem specific and ranged from 1.7 to 7.7 times faster than serial, with most of the speed‐up achieved by about 6 processor cores. Parallel speed‐up was generally greater on finer temporal meshes, while the initial guess strategy had minimal impact on speed‐up. Considerable speed‐up can be achieved for some optimal control simulation problems in OpenSim Moco by leveraging the multicore processors often available in modern computers. However, since improvements are problem specific, achieving optimal computational performance will require some degree of exploration by the end user.
Studying performance portability of LAMMPS across diverse GPU‐based platforms
Authors: Hagerty Nick , Melesse Vergara Verónica G. , Tharrington Arnold
Published: September 2023

The molecular dynamics simulation software, LAMMPS, utilizes the Kokkos acceleration library to port computation to a diverse set of architectures including those based on GPU accelerators. In addition to Kokkos, LAMMPS contains a vast code base that leverages the CUDA application programming interface using library functions such as cuFFT, CUDA's fast‐fourier transform (FFT) library, and, more recently, also support for AMD's Heterogeneous Interface for Portability (HIP) that is rapidly growing. While preparing LAMMPS tests for the AMD GPU‐based test system precursors to Frontier, we investigated several strategies for accelerating LAMMPS on AMD GPUs, using the AMD Instinct MI100 and MI250X. In this work, we integrated the HIP FFT library, hipFFT, into the particle‐particle particle‐mesh (PPPM) long‐range solver, which allowed the porting of PPPM calculations to the GPUs. Kokkos behavior on the MI100 and MI250X was also investigated through the package kokkos command of LAMMPS, targeting communication, memory usage, and particle grid decomposition. The Tersoff, Reax, Lennard‐Jones (LJ), EAM, Granular, and PPPM potentials were investigated in this effort, and results from these experiments are provided. The selected potentials were run on Spock (AMD Instinct MI100), Crusher (AMD Instinct MI250X), AFW HPC11 (NVIDIA A100) and Summit (NVIDIA V100), for comparison. Operational roofline models were constructed and analyzed for the Tersoff, Reax, and Lennard–Jones potentials on Crusher and Summit.
The Poincaré–Andronov–Hopf bifurcation theory and its application to nonlinear analysis of RC phase‐shift oscillator
Authors: Georgiev Zhivko D. , Uzunov Ivan M. , Todorov Todor G. , Trushev Ivan M.
Published: September 2023

In the paper, a nonlinear analysis of RC phase‐shift oscillator with operational amplifier is done. Using Kirchhoff's laws, a nonlinear system of three differential equations that describes the behavior of the oscillator is obtained. This system is analyzed using the Poincaré–Andronov–Hopf bifurcation theory. The basic principles of the Poincaré–Andronov–Hopf bifurcation theory are presented in advance, including the Center Manifold Theory and the Theory of Normal Forms. It was found that, under certain conditions, the oscillator system has a limit cycle, which means that the oscillator under consideration generates periodic oscillations. The period, amplitude, and stability of the generated periodic oscillations are determined theoretically. The obtained analytical results are confirmed by a numerical analysis of the nonlinear system of differential equations performed by MATLAB.
Inflammatory proteins are associated with mortality in a middle‐aged diverse cohort
Authors: Noren Hooten Nicole , Mode Nicolle A. , Allotey Samuel , Ezike Ngozi , Zonderman Alan B. , Evans Michele K.
Published: September 2023

Background

Recent data indicate a decline in overall longevity in the United States. Even prior to the COVID‐19 pandemic, an increase in midlife mortality rates had been reported. Life expectancy disparities have persisted in the United States for racial and ethnic groups and for individuals living at low socioeconomic status. These continued trends in mortality indicate the importance of examining biomarkers of mortality at midlife in at‐risk populations. Circulating levels of cytokines and inflammatory markers reflect systemic chronic inflammation, which is a well‐known driver of many age‐related diseases.

Methods

In this study, we examined the relationship of nine different inflammatory proteins with mortality in a middle‐aged socioeconomically diverse cohort of African–American and White men and women (n = 1122; mean age = 47.8 years).

Results

We found significant differences in inflammatory‐related protein serum levels between African–American and White middle‐aged adults. E‐selectin and fibrinogen were significantly higher in African–American adults. IFN‐γ, TNF‐α trimer, monocyte chemoattractant protein‐1 (MCP‐1), soluble receptor for advanced glycation end‐products (sRAGE) and P‐selectin were significantly higher in White participants compared to African–American participants. Higher levels of E‐selectin, MCP‐1 and P‐selectin were associated with a higher mortality risk. Furthermore, there was a significant interaction between sex and IL‐6 with mortality. IL‐6 levels were associated with an increased risk of mortality, an association that was significantly greater in women than men. In addition, White participants with high levels of sRAGE had significantly higher survival probability than White participants with low levels of sRAGE, while African–American participants had similar survival probabilities across sRAGE levels.

Conclusions

These results suggest that circulating inflammatory markers can be utilized as indicators of midlife mortality risk in a socioeconomically diverse cohort of African–American and White individuals.
Microbes are potential key players in the evolution of life histories and aging in Caenorhabditis elegans
Authors: Santos Josiane , Matos Margarida , Flatt Thomas , Chelo Ivo M.
Published: September 2023

Microbes can have profound effects on host fitness and health and the appearance of late‐onset diseases. Host–microbe interactions thus represent a major environmental context for healthy aging of the host and might also mediate trade‐offs between life‐history traits in the evolution of host senescence. Here, we have used the nematode Caenorhabditis elegans to study how host–microbe interactions may modulate the evolution of life histories and aging. We first characterized the effects of two non‐pathogenic and one pathogenic Escherichia coli strains, together with the pathogenic Serratia marcescens DB11 strain, on population growth rates and survival of C. elegans from five different genetic backgrounds. We then focused on an outbred C. elegans population, to understand if microbe‐specific effects on the reproductive schedule and in traits such as developmental rate and survival were also expressed in the presence of males and standing genetic variation, which could be relevant for the evolution of C. elegans and other nematode species in nature. Our results show that host–microbe interactions have a substantial host‐genotype‐dependent impact on the reproductive aging and survival of the nematode host. Although both pathogenic bacteria reduced host survival in comparison with benign strains, they differed in how they affected other host traits. Host fertility and population growth rate were affected by S. marcescens DB11 only during early adulthood, whereas this occurred at later ages with the pathogenic E. coli IAI1. In both cases, these effects were largely dependent on the host genotypes. Given such microbe‐specific genotypic differences in host life history, we predict that the evolution of reproductive schedules and senescence might be critically contingent on host–microbe interactions in nature.