bluuebunny/crossref_metadata_2025 huggingface dataset:
Alternating Metal‐Ligand Coordination Improves Electrocatalytic CO2 Reduction by a Mononuclear Ru Catalyst**
Authors: Agarwala Hemlata , Chen Xiaoyu , Lyonnet Julien R. , Johnson Ben A. , Ahlquist Mårten , Ott Sascha
Published: February 2023

Molecular electrocatalysts for CO2‐to‐CO conversion often operate at large overpotentials, due to the large barrier for C−O bond cleavage. Illustrated with ruthenium polypyridyl catalysts, we herein propose a mechanistic route that involves one metal center that acts as both Lewis base and Lewis acid at different stages of the catalytic cycle, by density functional theory in corroboration with experimental FTIR. The nucleophilic character of the Ru center manifests itself in the initial attack on CO2 to form [Ru‐CO2]0, while its electrophilic character allows for the formation of a 5‐membered metallacyclic intermediate, [Ru‐CO2CO2]0,c, by addition of a second CO2 molecule and intramolecular cyclization. The calculated activation barrier for C−O bond cleavage via the metallacycle is decreased by 34.9 kcal mol−1 as compared to the non‐cyclic adduct in the two electron reduced state of complex 1. Such metallacyclic intermediates in electrocatalytic CO2 reduction offer a new design feature that can be implemented consciously in future catalyst designs.
Critical data modeling and the basic representation model
Authors: Wickett Karen M.
Published: February 2023

The increasing role and impact of information systems in modern life calls for new types of information studies that examine sociotechnical factors at play in the development and use of information systems. This article proposes critical data modeling—the use of data modeling and systems analysis techniques to build critical interrogations of information systems—as a method for bridging between social factors and technical systems, presents the Basic Representation Model as an analytical tool for critical data modeling, and discusses the results of critical data modeling of a police arrest record dataset. The Basic Representation Model is a conceptual model of information objects that supports a detailed examination of data modeling and information representation within and across information systems, and functions as a synthesizing concept for existing critical work on information systems. Critical data modeling adds an essential complement to existing approaches to critical information studies by grounding the analysis of an information system in both the technical realities of computational systems and the social realities of our communities.
The Progress and Comprehensive Analysis of Supercapacitors for Alternating Current Line Filtering: A Review
Authors: Zhang Shuting , Li Bofan , Cui Chaojie , Qian Weizhong , Jin Yong
Published: February 2023

To address the potential application of supercapacitors (SCs) in the field of alternating current filtering, this review summarizes the working mechanism toward ultrafast response, the progress of SCs in electrode materials, electrolytes (aqueous, organic electrolyte, and ionic liquids), current collectors, as well as device configuration. The performance of SCs is compared comprehensively with that of the commercial aluminum electrolyte capacitor (AEC) from the viewpoint of operating temperature, voltage, response time, impedance phase angle, and capacitance. Especially, there exists a big gap between AECs and SCs in terms of the operating temperature and operating voltage. And we give insights into future research focus for high‐frequency SCs, in terms of mechanism, structural design, and application management.
Nanostructuring Strategies for Silicon‐based Anodes in Lithium‐ion Batteries: Tuning Areal Silicon Loading, SEI Formation/Irreversible Capacity Loss, Rate Capability Retention and Electrode Durability
Authors: Ezzedine Mariam , Jardali Fatme , Florea Ileana , Zamfir Mihai‐Robert , Cojocaru Costel‐Sorin
Published: February 2023

Invited for this month's cover picture is the group of Prof. Dr. Costel‐Sorin Cojocaru. The cover picture illustrates the hierarchical hybrid nanostructured electrode composed of vertically aligned carbon nanotubes decorated with silicon nanoparticles as anode for next generation lithium‐ion batteries. Read the full text of the Research Article at 10.1002/batt.202200451.
Modeling the effect of oxidative stress on Bordetella pertussis fermentations
Authors: Vitelli Michael , Tamer Ibrahim Melih , Pritzker Mark , Budman Hector
Published: February 2023

A mathematical model is proposed for Bordetella pertussis with the main goal to better understand and describe the relation between cell growth, oxidative stress and NADPH levels under different oxidative conditions. The model is validated with flask experiments conducted under different conditions of oxidative stress induced by high initial glutamate concentrations, low initial inoculum and secondary culturing following exposure to starvation. The model exhibited good accuracy when calibrated and validated for the different experimental conditions. From comparisons of model predictions to data with different model mechanisms, it was concluded that intracellular reactive oxidative species only have an indirect effect on growth rate by reacting with NADPH and thereby reducing the amount of NADPH that is available for growth.
Microservices‐based student support framework (MicSSF) to enhance equity in education
Authors: Shaiba Hadil , Hadjouni Myriam , John Maya
Published: February 2023

COVID‐19 has exposed and widened the disparity in education. The paper reviews the efforts made by educational institutions and organizations to offer services to the disadvantaged in an effort to eliminate the educational gap. Based on the literature, the primary issues which led to increasing in the gap of educational inequality were identified as the need for books, internet connection, study gadgets/devices, extra tutoring, food and study space, and psychological counseling. This paper proposes an online system using the microservices architecture to provide a holistic system that addresses the key concerns that contributed to the educational discrepancy. The application proposes a variety of business services that are logically separated from each other, and that can be deployed and scaled independently. Each of the provided services is autonomous and can communicate with other services.
Optimization of the Lead Compound NVP‐BHG712 as a Colorectal Cancer Inhibitor
Authors: Tröster Alix , DiPrima Michael , Jores Nathalie , Kudlinzki Denis , Sreeramulu Sridhar , Gande Santosh L. , Linhard Verena , Ludig Damian , Schug Alexander , Saxena Krishna , Reinecke Maria , Heinzlmeir Stephanie , Leisegang Matthias S. , Wollenhaupt Jan , Lennartz Frank , Weiss Manfred S. , Kuster Bernhard , Tosato Giovanna , Schwalbe Harald
Published: February 2023

The ephrin type‐A receptor 2 (EPHA2) kinase belongs to the largest family of receptor tyrosine kinases. There are several indications of an involvement of EPHA2 in the development of infectious diseases and cancer. Despite pharmacological potential, EPHA2 is an under‐examined target protein. In this study, we synthesized a series of derivatives of the inhibitor NVP‐BHG712 and triazine‐based compounds. These compounds were evaluated to determine their potential as kinase inhibitors of EPHA2, including elucidation of their binding mode (X‐ray crystallography), affinity (microscale thermophoresis), and selectivity (Kinobeads assay). Eight inhibitors showed affinities in the low‐nanomolar regime (KD<10 nM). Testing in up to seven colon cancer cell lines that express EPHA2 reveals that several derivatives feature promising effects for the control of human colon carcinoma. Thus, we have developed a set of powerful tool compounds for fundamental new research on the interplay of EPH receptors in a cellular context.
Mixture Condensation of Ethanol/Water and Ethanol/Siloxane in a Vertical Double Pipe
Authors: Zimmermann Conrad , Lubos Nico , Dagli Cagatay Necati , Kabelac Stephan
Published: February 2023

Eco‐friendly mixtures may substitute pure working fluids in thermodynamic cycle processes, yet the existing calculation approaches of mixture condensation are complex due to iterative procedures and multiple input data. To simplify condenser design, this project aims for a new calculation method of mixtures. On this behalf, experimental data for the condensation of ethanol/water and ethanol/octamethyltrisiloxane is provided within a wide composition range to identify the most influential parameters. Finally, a practical prediction method for heat transfer coefficients of mixtures is suggested.
Microtubule‐associated proteins and enzymes modifying tubulin
Authors: Peng Nannan , Nakamura Fumihiko
Published: February 2023

Microtubules (MTs) are essential for many cellular processes including establishment of cell shape and polarity, chromosome segregation, vesicle transport, and nuclear positioning. Human cells express 22 tubulin isoforms that have both overlapping and distinctive functions. Tubulins reversely polymerize to form cylindrical MTs, while MT‐associated proteins (MAPs), posttranslational modifications (PTMs), and mechanical forces regulate their functions. To help both tubulin researchers and medicinal chemists, this review article lists 489 MAPs, 43 known enzymes that mediate PTMs, and 306 drugs that influence the functions of MTs and MAPs and discusses recent microtubule research. Readers are able to sort the list based on name, size, functions, related human diseases, and date of discovery. The list also contains links to Uniprot and Protein Atlas databases to access further details such as protein structure, associated proteins, subcellular localization, expression levels in cells and tissues, mutations, and pathology. Because the microtubule cytoskeleton is involved in many pathological processes such as tumorigenesis, invasion, and developmental diseases, small molecules that target on MT and MAPs hold potential to treat these diseases and are also listed.
From a Fluorenyl Substituted Ylide‐Functionalized Phosphine to a Neutral Phosphide via P−C Bond Cleavage
Authors: Löffler Julian , Gessner Viktoria H.
Published: February 2023

Bulky ylide‐substituted phosphines have recently found application as potent ligands in homogeneous catalysis. The attempted synthesis of the ylide‐substituted fluorenylphosphine YPhP(Cy)Flu [YPh=Cy3P(Ph)C; Flu=9‐methylfluorenyl] now resulted in the unexpected elimination of 9‐methylenefluorene during the deprotonation step of the intermediary α‐phosphino phosphonium salt to yield the secondary ylide‐substituted phosphine YPhP(Cy)H. This phosphine underwent formal H2 elimination under basic conditions to form a cyclic phosphonium ylide with a P−C−P−C four‐membered ring via deprotonation of one cyclohexyl group of the PCy3 moiety. Upon coordination to transition metals the secondary ylidylphosphine forms a neutral phosphide ligand by shift of the proton into the ylide‐backbone and formation of zwitterionic metal complexes.
Change in interpersonal problems and metacognitive beliefs as predictors of improvement in patients with generalized anxiety disorder
Authors: Strand Eivind R. , Hjemdal Odin , Anyan Frederick , Nordahl Henrik , Nordahl Hans M.
Published: February 2023

Introduction

Generalized anxiety disorder (GAD) is characterized by persistent worry and anxiety, often with a chronic course. We tested the role of two suggested underlying factors in GAD, interpersonal problems and negative metacognitive beliefs, as predictors of trait‐worry and trait‐anxiety.

Methods

The sample consisted of 56 patients with a primary diagnosis of GAD from a randomized controlled trial. We first estimated the proportion of variance lying between the higher level of the data structure to account for potential therapists' effects. Two hierarchical regression analyses were conducted testing change in interpersonal problems and negative metacognitive beliefs as predictors of change in trait‐worry and trait‐anxiety following treatment. Change in depression and anxiety symptoms was controlled.

Results

Change in negative metacognitive beliefs was the strongest predictor of improvement of both trait‐worry and trait‐anxiety. Change in interpersonal problems was not a unique predictor of change in trait‐worry but did make a significant and unique contribution to trait‐anxiety.

Conclusions

Negative metacognitive beliefs may be important targets to improve trait‐worry and trait‐anxiety in GAD. Interpersonal problems may be relevant for trait‐anxiety but could also be a surface marker of higher order vulnerability factors. Implications for treatment are discussed.
Natural Pyranosyl Materials: Potential Applications in Solid‐State Batteries
Authors: Cao Yueyue , Zhang Guoqun , Zou Jincheng , Dai Huichao , Wang Chengliang
Published: February 2023

Solid‐state batteries have become one of the hottest research areas today, due to the use of solid‐state electrolytes enabling the high safety and energy density. Because of the interaction with electrolyte salts and the abundant ion transport sites, natural polysaccharide polymers with rich functional groups such as −OH, −OR or −COO− etc. have been applied in solid‐state electrolytes and have the merits of possibly high ionic conductivity and sustainability. This review summarizes the recent progress of natural polysaccharides and derivatives for polymer electrolytes, which will stimulate further interest in the application of polysaccharides for solid‐state batteries.
Network traffic prediction model based on improved VMD and PSO‐ELM
Authors: Shi Jinmei , Zhou Jinghe , Feng Junying , Chen Huandong
Published: February 2023

The rapid update of computing power leads to exponential data traffic growth, and the incidence of network attacks is also increasing. It is significantly important to analyze and predict network traffic accurately in the early stage and take corresponding preventive measures. The existing network flow integrated forecasting models still have some bottlenecks that are difficult to solve, for example, the slow optimization speed of modal decomposition parameters, easy falling into local optimal solutions, the slow convergence speed of the training process, and poor generalization capability. In this paper, particle swarm optimization (PSO) is utilized to improve the parameters selection process of the variational mode decomposition (VMD) algorithm and the extreme learning machine (ELM) algorithm. First, the PSO‐VMD combined with multi‐scale permutation entropy (MPE) is utilized to decompose the original network flow, and multiple eigenmode components are obtained. Second, the PSO‐ELM is utilized to train the network traffic prediction model, and the PSO parameters in PSO‐ELM are updated through adaptive weight adjustment and synchronous learning factors to increase the training and prediction speed, and the component prediction results are reconstructed to get a high‐precision network flow forecasting result. Finally, through the prediction and verification of the public network flow data of the WIDE backbone, the result of this experiment indicates that the VMD‐PSO‐ELM can break through the bottlenecks of slow optimization speed of VMD decomposition parameters, reduce the computational complexity of ELM, accelerate the convergence speed, and increase the forecasting accuracy.
Immigration drives ship rat population irruptions in marginal high‐elevation habitat in response to pulsed resources
Authors: Carpenter Joanna K. , Monks Adrian , Innes John , Griffiths James , Anderson Dean
Published: February 2023

Pest animal populations, such as rodents, often irrupt in response to pulsed resources. However, few studies have considered how understanding the propagation of irruptions across landscapes could lead to more efficient pest suppression. Resource pulses might create temporary source–sink dynamics in heterogeneous environments, whereby reservoirs of animals living in high‐quality habitat increase and spill over into more marginal habitat. Low‐density populations in marginal habitat could also increase through in situ breeding by residents in response to increased food availability. Understanding the relative importance of these two nonmutually exclusive processes is important as pest outbreaks could potentially be more efficiently controlled by targeting source populations early in an outbreak. We used a Bayesian hierarchical model to estimate the importance of density‐dependent emigration from lower elevation habitats versus in situ breeding by resident animals to the population growth of invasive ship rats (Rattus rattus) in marginal, high elevation habitats during a pulsed resource event (beech seed mast). We found that emigration from lower elevations was important for facilitating rapid population growth at high elevations, enabling rats to reach peak densities of 10.6 rats ha−1. Without immigration, rats were predicted to reach peak densities of only 1.8 rats ha−1 at high elevation, given their densities in that habitat when we started monitoring (0.6 rats ha−1). This result suggests that rat control that targets low and mid‐elevations only may be sufficient to suppress irruptions in high‐elevation habitat if control effectively prevents immigration. Our study suggests spillover from higher quality habitats may enable outbreaks to rapidly propagate over landscapes. However, for r‐selected taxa such as rodents, even very low densities of animals living in marginal habitats can increase significantly when resource pulses occur, albeit at lower densities than for populations in higher quality habitat.
Identifying patients at risk: multi‐centre comparison of HeartMate 3 and HeartWare left ventricular assist devices
Authors: Numan Lieke , Zimpfer Daniel , Zadok Osnat Itzhaki Ben , Aarts Emmeke , Morshuis Michiel , Guenther Sabina P.W. , Riebandt Julia , Wiedemann Dominik , Ramjankhan Faiz Z. , Oppelaar Anne‐Marie , Ben‐Gal Tuvia , Ben‐Avraham Binyamin , Asselbergs Folkert W. , Schramm Rene , Van Laake Linda W.
Published: February 2023

Aims

Since the withdrawal of HeartWare (HVAD) from the global market, there is an ongoing discussion if and which patients require prophylactically exchange for a HeartMate 3 (HM3). Therefore, it is important to study outcome differences between HVAD and HM3 patients. Because centres differ in patient selection and standard of care, we performed a propensity score (PS)‐based study including centres that implanted both devices and aimed to identify which HVAD patients are at highest risk.

Methods and results

We performed an international multi‐centre study (n = 1021) including centres that implanted HVAD and HM3. PS‐matching was performed using clinical variables and the implanting centre. Survival and complications were compared. As a sensitivity analysis, PS‐adjusted Cox regression was performed. Landmark analysis with conditional survival >2 years was conducted to evaluate long‐term survival differences. To identify which HVAD patients may benefit from a HM3 upgrade, Cox regression using pre‐operative variables and their interaction with device type was performed. Survival was significantly better for HM3 patients (P < 0.01) in 458 matched patients, with a median follow‐up of 23 months. Within the matched cohort, HM3 patients had a median age of 58 years, and 83% were male, 80% of the HVAD patients were male, with a median age of 59 years. PS‐adjusted Cox regression confirmed a significantly better survival for HM3 patients when compared with HVAD, with a HR of 1.46 (95% confidence interval 1.14–1.85, P < 0.01). Pump thrombosis (P < 0.01) and ischaemic stroke (P < 0.01) occurred less in HM3 patients. No difference was found for haemorrhagic stroke, right heart failure, driveline infection, and major bleeding. Landmark‐analysis confirmed a significant difference in conditional survival >2 years after implantation (P = 0.03). None of the pre‐operative variable interactions in the Cox regression were significant.

Conclusions

HM3 patients have a significantly better survival and a lower incidence of ischaemic strokes and pump thrombosis than HVAD patients. This survival difference persisted after 2 years of implantation. Additional research using post‐operative variables is warranted to identify which HVAD patients need an upgrade to HM3 or expedited transplantation.
One‐Pot Synthesis of Benzodiazepines through RuII‐Catalyzed Regioselective [5+2] Annulation of N‐Aryl Amidines with Alkynyl Cyclobutyl Acetates
Authors: Shen Jian , Cui Bo , Huang Junwei , Lin Shenghui , Cui Xiuling
Published: February 2023

A highly efficient strategy to construct benzo[d][1,3]diazepines via selective C−H bond activation of N‐aryl amidines and coupling with alkynyl cyclobutyl acetates was achieved successfully by RuII‐catalyzed [5+2] cyclization. This protocol features excellent regioselectivity, wide substrate tolerance, mild reaction conditions, which might be potentially applied in the discovery of lead compounds for the developing new drugs.
Pain paths among post‐COVID‐19 condition subjects: A prospective cross‐sectional study with in‐person evaluation
Authors: Kubota Gabriel T. , Soares Felipe H. C. , da Fonseca Alessandra S. , Rosa Talita dos Santos , da Silva Valquiria A. , Gouveia Gisele R. , Faria Viviane G. , da Cunha Pedro H. M. , Brunoni André R. , Teixeira Manoel J. , de Andrade Daniel C.
Published: February 2023

Background

New‐onset chronic pain has been acknowledged as part of the post‐COVID‐19 condition. However, available fine‐grained data about its clinical phenotype, trajectories and main associated characteristics remain scarce. We described the distinct temporal evolutions of post‐COVID‐19 pain and their epidemiological and phenotypical features.

Methods

A prospective cross‐sectional study enrolled post‐COVID‐19 condition patients (i.e. who had persisting COVID‐19‐related symptoms over 30 days since their first positive laboratory test), whose COVID‐19 diagnosis had been supported by RT‐PCR of oral/nasopharyngeal swab or serology. They underwent in‐person evaluations with a structured interview, pain and quality‐of‐life‐related questionnaires and thorough physical examination. Chronic pain (CP) and probable neuropathic pain (NP) were defined according to IASP criteria.

Results

The present study included 226 individuals, 177 (78.3%) of whom presented over 3 months since their first COVID‐19 symptom. New‐onset pain occurred in 170 (75.2%) participants and was chronic in 116 (68.2%). A chronic course was associated with COVID‐19‐related hospitalization, new‐onset fatigue, lower cognitive performance, motor and thermal sensory deficits, mood and sleep impairments and overall lower quality‐of‐life levels. Probable NP occurred in only 7.6% new‐onset pain patients, and was associated with pain chronification, new‐onset fatigue, motor and thermal sensory deficits, mechanical allodynia and lower rates of SARS‐CoV‐2 vaccination. Previous CP was reported by 86 (38.1%) individuals and had aggravated after the infection in 66 (76.7%) of them, which was associated with orthostatic hypotension.

Conclusions

Post‐COVID pain phenomena follow different paths, which are associated with specific clinical and epidemiological features, and possibly distinct underlying mechanisms, prognostic and therapeutic implications.

Significance

COVID‐19‐related pain usually follows a chronic course and is non‐neuropathic. Its possible courses and phenotypes are associated with distinct clinical and epidemiological features. This suggests differing underlying mechanisms, which may have significant prognostic and therapeutic implications.
Facile design of oxide‐derived Cu nanosheet electrocatalyst for CO2 reduction reaction
Authors: Jang Juhee , Zhu Shangqian , Delmo Ernest Pahuyo , Li Tiehuai , Zhao Qinglan , Wang Yinuo , Zhang Lili , Huang Hongwen , Ge Jingjie , Shao Minhua
Published: February 2023

Despite of superior performance of the oxide‐derived copper (OD‐Cu) in producing valuable hydrocarbons during CO2RR, its fabrication process is still ambiguous and complicated. In this work, we develop a simple microwave‐assisted method to synthesize the oxide‐derived Cu nanosheet (OD‐Cu NS) and reveal that the oxidation state of Cu species is controlled by varying the Cu precursor amount. Notably, the simultaneous formation of nano‐sized Cu domains influence the surface roughness of OD‐Cu NS. The partially oxidized Cu surface exhibits a superior faradaic efficiency (FE) of C2+ products up to 72%, along with a partial current density of 55 mA cm−2 in a neutral KHCO3 solution. More importantly, the as‐obtained OD‐Cu NS shows a synergetic effect on dissociating of CO2 molecules by the strong binding energy and promoting of C2+ compounds productivity by the enlarged electrochemical surface area. This work provides a new insight for designing efficient OD‐Cu catalysts toward CO2RR.

image
Forecasting stock return volatility: Realized volatility‐type or duration‐based estimators
Authors: Fei Tianlun , Liu Xiaoquan , Wen Conghua
Published: February 2023

In this paper, we study the predictive performance of two kinds of volatility estimators: the realized volatility (RV) type and duration‐based ones. This is motivated by the theoretical and empirical support for these distinct estimators. We use intraday data for 218 component stocks of the CSI 300 index in the Chinese equity market from 2010–2019 and perform in‐ and out‐of‐sample 1‐, 5‐, and 22‐day ahead volatility forecasts from combinations of volatility models and these estimators. We show that, although empirically more efficient with the US data, the duration‐based estimators fail to compete statistically, or in terms of economic value, with RV‐type ones in the Chinese market. We perform a comprehensive set of simulations to rationalize these results and show that duration‐based estimators underperform as they cannot handle the occasional heightened level of volatility in the Chinese market.
Quantum chemical study of CO2 physisorption and chemisorption on EDA‐grafted graphene oxide
Authors: Jin Jieli , Wen Zhengcheng , Li Shengqi , Huang Ju
Published: February 2023

Organic amine grafting on graphene oxide (GO) is a potentially good CO2 adsorbent. The mechanism of CO2 capture by ethylenediamine grafted GO (EDA‐GO) is studied in detail by quantum chemical method in this article. A reasonable adsorbent model is constructed, and through electrostatic potential analysis, it is found that the larger negative electrostatic potential (GOEP/GOCA: N(180)/N(30) site) is a better potential adsorption site. The physical adsorption energies are also larger (−44.37 kJ/mol, −49.90 kJ/mol) at the larger negative electrostatic potential sites. The quantum chemical calculation of CO2 adsorption is carried out at the optimal reaction site. Results show that EDA grafted on epoxy and carboxyl groups of GO have good adsorption performance for CO2. The catalytic effect of H2O in the atmosphere can significantly reduce the adsorption reaction energy, which only needs 20–45 kJ/mol. Compared with EDA‐GOEP, EDA‐GOCA has lower physical adsorption energy and chemical adsorption energy barrier. EDA‐GOCA has good adsorption performance. Moreover, the desorption energy barrier (29.0 kJ/mol) is slightly higher than the adsorption energy barrier (23.3 kJ/mol), which is conducive to adsorption and desorption repeatedly. It is helpful in the recycling and reuse of adsorbents. For the adsorption of CO2 by EDA‐GO, the conversion of hydroxyl and epoxy groups to carboxyl groups is very important. This study would contribute to the development and design of solid CO2 adsorbents based on GO. © 2023 Society of Chemical Industry and John Wiley & Sons, Ltd.
Experimental and numerical study on the heat transfer enhancement over scalene and curved‐side triangular ribs
Authors: Oleiwi Ahmed , Mohsen A. M. , Abdulkadhim Ammar , Abed Azher M. , Laidoudi Houssem , Abderrahmane Aissa
Published: February 2023

The present study examines the turbulent flow of mixed convection heat transfer enhancement within a rectangular channel considering three different novel shapes of ribs (smooth, scalene, and curved‐side triangular). The investigations were conducted experimentally by developing a new test facility, while the numerical computations were carried out using the finite volume method. The experimental work involves constructing of the channel, ribs, and all equipment and measurement instruments. The numerical work is based on ANSYS FLUENT considering the k–ε turbulent model. The results are presented and compared in terms of Nusselt number, friction factor, and performance factors for Reynolds numbers ranging between 3000 and 12,000. By comparing the average values of the numerically obtained Nusselt number with experimental measurements, the data showed a close agreement with a maximum difference of 5%. It also found that scalene triangular ribs (STRs) provide better performance in terms of heat transfer, although introducing a slight increase in friction losses. STRs showed (20%) increase in Nusselt number compared with smooth channel, and 3%–6% increase in Nusselt number compared with curved‐side triangular ribs (CTRs). In contrast, CTRs have a lower friction factor value of 5% compared with STRs at a low value of a Reynolds number of 3000. Furthermore, the Nusselt number changes significantly (250% increase) by increasing the value of the Reynolds number from 3000 to 12,000. A thermal performance factor of up to 1.28 was achieved for the STRs at the lowest range of Reynolds' number of 3000. The findings from the present study are of practical importance for industries requiring heat transfer enhancement techniques to improve heat transfer equipment performance.
Aroma of the essential oil of peppermint reduces aggressive driving behaviour in healthy adults
Authors: Moss Mark , Ho Jasmine , Swinburne Sophie , Turner Anna
Published: February 2023

Aggressive driving is of increasing concern in modern society. This study investigated the potential for the presence of an ambient aroma to reduce aggressive responses in a simulated driving situation. Previous literature has demonstrated the beneficial effect of peppermint (Mentha piperita) aroma on driver alertness and we aimed to identify any impact on aggressive driver behaviour. Fifty volunteers were randomly assigned to one of two conditions (peppermint essential oil aroma and no aroma). Aggressive driving behaviours were measured in a virtual reality driving simulator. The analysis indicated that the peppermint aroma significantly reduced aggressive driving behaviours. The presence of the aroma also produced medium sized effects on some aspects of mood from pre‐test levels. These results provide support for the use of ambient aromas for the modification of driving behaviours. It is proposed that applying peppermint into daily driving may be a beneficial for reducing driver aggression.
Spatial migration and distribution of suspended particles in saturated sand layer under the impact of temperature
Authors: Cui Xianze , Li Jin , Yang Guangdong , Fei Wenbin , Ding Shengyong , Fan Yong
Published: February 2023

The migration, deposition and detachment of suspended particles in saturated sands are used in many fields. Temperature is an important influencing factor in the transport and deposition process of particles in porous media, and it plays an important role in ground‐water heat pump (GWHP) projects. This article discusses the independent development of a three‐dimensional percolation sandbox test device and the design of a particle migration test based on the Reynolds number in the context of the backfilling process of GWHP systems as the experimental background. The effects of various temperatures (10, 25, and 40°C) on the movement of suspended particles in porous media were studied. The experimental results showed that as the temperature rose, more particles were deposited in the sand layer, the uneven flow of particles in the sand layer accelerated, and the particles spread out in the direction opposite to the non‐percolation direction with a wider distribution range in the sandbox. Increased temperature also promoted the percolation of smaller particles, causing the diffusion zone to terminate sooner and the deposition zone to last longer, resulting in the capture of more particles on the surface and in the pore channels of the sand layer.
Protocatechuic acid ameliorates lipopolysaccharide‐induced kidney damage in mice via downregulation of TLR‐4‐mediated IKBKB/NF‐κB and MAPK/Erk signaling pathways
Authors: Salama Abeer A. A. , Elgohary Rania , Fahmy Mohamed Ibrahim
Published: February 2023

Acute kidney injury (AKI) is a very critical cause of death in the whole world. Lipopolysaccharide (LPS) induces kidney damage by activating various deleterious inflammatory and oxidative pathways. Protocatechuic acid, a natural phenolic compound, has shown to exert beneficial effects against oxidative and inflammatory responses. The study aimed to clarify the nephroprotective activity of protocatechuic acid in LPS‐induced acute kidney damage in mice. Forty male Swiss mice were allocated in four groups as follows: normal control group; LPS (250 μg/kg, ip)‐induced kidney injury group; LPS‐injected mice treated with protocatechuic acid (15 mg/kg, po), and LPS‐injected mice treated with protocatechuic acid (30 mg/kg, po). Significant toll‐like receptor 4 (TLR‐4)‐mediated activation of IKBKB/NF‐κB and MAPK/Erk/COX‐2 inflammatory pathways has been observed in kidneys of mice treated with LPS. Oxidative stress was revealed by inhibition of total antioxidant capacity, catalase, nuclear factor erythroid 2‐related factor 2 (Nrf2), and NAD(P)H quinone oxidoreductase (NQO1) enzyme along with increased nitric oxide level. In parallel, focal inflammatory effects were shown in between the tubules and glomeruli as well as in the perivascular dilated blood vessels at the cortex affecting the normal morphology of the kidney tissues of LPS‐treated mice. However, treatment with protocatechuic acid reduced LPS‐induced changes in the aforementioned parameters and restored normal histological features of the affected tissues. In conclusion, our study uncovered that protocatechuic acid has nephroprotective effects in mice with AKI through opposing different inflammatory and oxidative cascades.
Palladium‐catalyzed vinylation of cyclohexenes using a directing‐group strategy
Authors: Yen Chao‐Ting , Liu Yi‐Hung , Liu Shiuh‐Tzung
Published: February 2023

Palladium‐promoted vinylation of cyclohexenes via employment of a directing‐group strategy to yield the coupled vinyl cyclohexenes with excellent regio‐ and stereoselectivity was studied. Typically, reaction of 2‐(cyclohex‐2‐en‐1‐yl)‐N‐tosylacetamide (1a) with (Z)‐styryl bromides (2) gave cis‐2‐[(E)‐styryl]cyclopent‐3‐en‐1‐yl‐N‐tosylacetamides in good to excellent yields. It is noticed that (Z)‐styryl moiety was inverted into (E)‐form in products. Unfortunately, (E)‐styryl bromide substrates were not suitable for this reaction under the condition investigated. Further studies on norbornene system, we found that palladium‐catalyzed reaction of endo‐N‐tosylbicyclo[2.2.1]hept‐5‐ene‐2‐carboxamide (6) with styryl bromides gave the Aza‐Heck type products.
Multilayered membrane spacer: does it enhance solution mixing?
Authors: Khudhur Abbas Al‐Amshawee Sajjad , Bin Mohd Yunus Mohd Yusri , Habib Dakhil Ihsan
Published: February 2023

The present review systematically investigates and illustrates the effect of multilayered membrane spacers on the features of fluid dynamics that influence all performance metrics. Multilayer spacers are frequently composed of three sets of filaments (i.e., top, middle, and bottom layers), which has the benefit of increasing mass transfer and decreasing membrane surface fouling when compared to ordinary monolayer (e.g., extruded spacer) and two‐layer spacers. The review found that the multilayer spacer's middle layer disperses primary flow to the thin side spacers placed near the membrane's surfaces. The thin side spacers will then form narrow passageways to keep the solution in situ for as long as mass transfer is achievable. The employment of thin spacers close to the membranes at satisfactory operational conditions (e.g., adequate flow velocity) results in swirling flows and incorporation of transverse and longitudinal eddies near to the membranes, reducing the boundary layer's width and making the associated ion concentration domain at the membranes much more consistent. The concept and implementation of multilayer geometry in feed channels appears to be promising, since a multilayered spacer can function at a lower maximum flow velocity than normal two‐layer spacers, saving operational energy while minimizing concentration gradients at the membrane surfaces. Furthermore, the multilayer structure's durability and mechanical strength may help to reduce membrane deformation and maintain long processes. Future studies might look at significantly reducing spacer thickness for industrial uses. © 2023 Society of Chemical Industry (SCI).
Using Machine Learning Methods to Assess Lymphovascular Invasion and Survival in Breast Cancer: Performance of Combining Preoperative Clinical and MRI Characteristics
Authors: Xu Zeyan , Xie Yu , Wu Lei , Chen Minglei , Shi Zhenwei , Cui Yanfen , Han Chu , Lin Huan , Liu Yu , Li Pinxiong , Chen Xin , Ding Yingying , Liu Zaiyi
Published: February 2023

Background

Preoperative assessment of lymphovascular invasion (LVI) in invasive breast cancer (IBC) is of high clinical relevance for treatment decision‐making and prognosis.

Purpose

To investigate the associations of preoperative clinical and magnetic resonance imaging (MRI) characteristics with LVI and disease‐free survival (DFS) by using machine learning methods in patients with IBC.

Study Type

Retrospective.

Population

Five hundred and seventy‐five women (range: 24–79 years) with IBC who underwent preoperative MRI examinations at two hospitals, divided into the training (N = 386) and validation datasets (N = 189).

Field Strength/Sequence

Axial fat‐suppressed T2‐weighted turbo spin‐echo sequence and dynamic contrast‐enhanced with fat‐suppressed T1‐weighted three‐dimensional gradient echo imaging.

Assessment

MRI characteristics (clinical T stage, breast edema score, MRI axillary lymph node status, multicentricity or multifocality, enhancement pattern, adjacent vessel sign, and increased ipsilateral vascularity) were reviewed independently by three radiologists. Logistic regression (LR), eXtreme Gradient Boosting (XGBoost), k‐Nearest Neighbor (KNN), and Support Vector Machine (SVM) algorithms were used to establish the models by combing preoperative clinical and MRI characteristics for assessing LVI status in the training dataset, and the methods were further applied in the validation dataset. The LVI score was calculated using the best‐performing of the four models to analyze the association with DFS.

Statistical Tests

Chi‐squared tests, variance inflation factors, receiver operating characteristics (ROC), Kaplan–Meier curve, log‐rank, Cox regression, and intraclass correlation coefficient were performed. The area under the ROC curve (AUC) and hazard ratios (HR) were calculated. A P‐value <0.05 was considered statistically significant.

Results

The model established by the XGBoost algorithm had better performance than LR, SVM, and KNN models, achieving an AUC of 0.832 (95% confidence interval [CI]: 0.789, 0.876) in the training dataset and 0.838 (95% CI: 0.775, 0.901) in the validation dataset. The LVI score established by the XGBoost model was an independent indicator of DFS (adjusted HR: 2.66, 95% CI: 1.22–5.80).

Data Conclusion

The XGBoost model based on preoperative clinical and MRI characteristics may help to investigate the LVI status and survival in patients with IBC.

Level of Evidence

3

Technical Efficacy

Stage 2
Downregulation of miR‐193a/b‐3p during HPV‐induced cervical carcinogenesis contributes to anchorage‐independent growth through PI3K–AKT pathway regulators
Authors: Xu Mengfei , Huseinovic Angelina , Jaspers Annelieke , Yuan Lushun , Steenbergen Renske D. M.
Published: February 2023

Cervical cancer is caused by a persistent infection with high‐risk types of human papillomavirus (HPV) and an accumulation of (epi)genetic alterations in the host cell. Acquisition of anchorage‐independent growth represents a critical hallmark during HPV‐induced carcinogenesis, thereby yielding the most valuable biomarkers for early diagnosis and therapeutic targets. In a previous study, we found that miR‐193a‐3p and miR‐193b‐3p were involved in anchorage‐independent growth. This study aimed to delineate the role of miR‐193a/b‐3p in HPV‐induced carcinogenesis and to identify their target genes related to anchorage‐independent growth. Cell viability and colony formation were assessed in SiHa cancer cells and HPV‐16 and ‐18 immortalized keratinocytes upon miR‐193a/b‐3p overexpression. Both microRNAs reduced cell growth of all three cell lines in low‐attachment conditions and showed a minor effect in adherent conditions. Online target‐predicting programs and publicly available expression data were used to find candidate messenger RNA (mRNA) targets of miR‐193a/b‐3p. Seven targets showed reduced mRNA expression upon miR‐193a/b‐3p overexpression. For three targets, Western blot analysis was also performed, all showing a reduced protein expression. A direct interaction was confirmed using luciferase assays for six genes: LAMC1, PTK2, STMN1, KRAS, SOS2, and PPP2R5C, which are phosphatidylinositol 3‑kinase/protein kinase B (PI3K–AKT) regulators. All six targets were overexpressed in cervical cancers and/or precursor lesions. Together with an observed downregulation of phosphorylated‐AKT upon miR‐193a/b‐3p overexpression, this underlines the biological relevance of miR‐193a/b‐3p downregulation during HPV‐induced cervical carcinogenesis. In conclusion, the downregulation of miR‐193a‐3p and miR‐193b‐3p is functionally involved in the acquisition of HPV‐induced anchorage independence by targeting regulators of the PI3K–AKT pathway.
A combined use of different functional additives for improvement of wheat flour quality for bread making
Authors: Iqbal Saba , Arif Saqib , Khurshid Salman , Iqbal Hafiza Mehwish , Akbar Qurrat‐Ul‐Ain , Ali Tahira Mohsin , Mohiuddin Shaikh
Published: February 2023

BACKGROUND

Low‐protein wheat flour can produce bread with poor texture and appearance, reducing its nutritional value and market appeal. This is a growing concern for both the food industry and consumers relying on wheat as a dietary staple. The present study evaluated the individual and combined effects of bacterial xylanase (BX), maltogenic α‐amylase (MG), vital gluten (VG) and ascorbic acid (AA) with respect to improving weak flour properties for bread making.

RESULTS

BX, VG and AA improved gluten Index (GI), whereas MG was employed for optimizing amylolytic‐activity in flour. VG increased the water absorption (WA) capacity of flour and prolonged dough development time (DDT). The dough stability (DST) was increased by BX and VG. BX and MG decreased crumb firmness (CF) and showed anti‐staling effect. All additives reduced bake loss, increased loaf volume (LV) and retained or improved sensory attributes of bread. However, MG at 60 mg kg−1 (MG60), BX at 30 mg kg−1 (BX30), VG at 5% (VG5) and AA at 50 mg kg−1 (AA50) were found to be the most suitable for evaluating in combinations. Ternary combinations of MG60, BX30, VG5 or AA50 imparted significantly (P < 0.05) positive impacts on GI, WA, DDT, DST, CF, LV and sensory attributes compared to control, individual and binary combinations.

CONCLUSION

The PCA suggested that a combination of MG60 + VG5 was more similar to MG60 + BX30 + VG5, whereas, MG60 + BX30 and MG60 + AA50 were more related to MG60 + BX30 + AA50 combination, but all of these combinations showed the improvement in the characteristics compared to control flour. © 2023 Society of Chemical Industry.
The ability of magnetic resonance imaging to predict lymph node metastases and the risk of recurrence in rectal cancer
Authors: Lehtonen Taru M. , Ilvesmäki Anna , Koskenvuo Laura E. , Lepistö Anna H.
Published: February 2023

Aim

This study aimed to examine the diagnostic accuracy and prognostic value of magnetic resonance imaging (MRI) detected lymph nodes in rectal cancer.

Method

We evaluated 806 rectal cancer patients consecutively operated on between 2015 and 2018 at Helsinki University Hospital. In total, 485 patients met the inclusion criteria of presenting with stage I–III disease and were intended for curative treatment at the time of diagnosis. The effect of MRI‐detected clinical lymph node status (cN) on cumulative overall survival (OS), disease‐specific survival (DSS) and disease‐free survival (DFS) was calculated using the Kaplan–Meier analysis.

Results

Negative predictive value (NPV) of MRI‐lymphnode negativity was 74.8%. Positive predictive value of lymph node metastasis was only 48.6%. In the Kaplan–Meier survival analysis, OS (p = 0.989), DSS (p = 0.911), and DFS (p = 0.109) did not significantly differ according to MRI nodal status. However, cumulative disease‐free survival significantly (p < 0.001) differed according to the histopathological lymph node metastasis status (pN).

Conclusions

MRI detected lymph node positivity appears insufficiently precise and cannot predict disease recurrence or survival. Therefore, it should not serve as an independent risk factor when considering neoadjuvant treatment options for rectal cancer patients.
Successful long‐term treatment of pyoderma gangrenosum with secukinumab
Authors: Froehlich Fabienne , Dreßler Miriam , Staeger Ramon , French Lars E. , Meier‐Schiesser Barbara
Published: February 2023

Pyoderma gangrenosum (PG) belongs to the group of classical neutrophilic dermatoses and is characterised by painful ulcerations. While the clinical features have been well described, the underlying pathological mechanisms are incompletely understood and adequate treatment remains challenging. A 63‐year‐old male patient had suffered from recalcitrant ulcerations on the back, groins and legs for over 20 years. Due to suspicion of PG, a skin biopsy of the flank was obtained, which was confirming the suspected diagnosis. Following several frustrating attempts to treat, another skin biopsy was carried out and a cytokine profile by quantitative reverse transcription polymerase chain reaction was performed. Compared to healthy skin, a notable upregulation of interleukin (IL)‐17A and IL‐8 was detected. Subsequently, treatment with the anti‐IL17 antibody secukinumab was started. After 3 months of treatment, the PG area was 0 cm2. Due to the discontinuation of the drug by the patient typical PG lesions reappeared, all of which disappeared again within a few weeks of restarting secukinumab therapy. At month 23, the PG area was again 0 cm2 and this complete response was maintained under secukinumab therapy to this day (76 months after the onset of secukinumab therapy). This case of a patient with therapy‐resistant PG and subsequent long‐term responsiveness to anti‐IL‐17 therapy supports the potential importance of the Th17 axis in PG. Collectively, treatment of PG using IL‐17 antagonists seems to be very promising.