bluuebunny/crossref_metadata_2025 huggingface dataset:
Conformational Regulation of Dielectric Poly(Vinylidene Fluoride)‐Based Solid‐State Electrolytes for Efficient Lithium Salt Dissociation and Lithium‐Ion Transportation
Authors: Huang Yan‐Fei , Zeng Jian‐Ping , Li Shuang‐Feng , Dai Chen , Liu Jun‐Feng , Liu Chen , He Yan‐Bing
Published: March 2023

Restricted by the poor ability of polymers to dissociate lithium salts and transport ions, solid‐state polymer electrolytes (SPEs) show extremely low ionic conductivities (≈10−7–10−5 S cm−1) and transference number of lithium ions (tLi+ ≈0.2–0.4) at 25 °C. Here, a novel polymer matrix of SPEs that simultaneously promotes lithium salt dissociation and ion transportation based on a high dielectric poly(vinylidene fluoride‐trifluoroethylene‐chlorotrifluoroethylene) (TerP) and an all‐trans conformational poly(vinylidene fluoride‐trifluoroethylene) (CoP), is developed. The high dielectric constant increases the polarity of CH2CF2 polar groups; then, brings a strong electronegative end that dissociates Li+ from lithium salts. The all‐trans conformation assures all fluorine atoms locate on one side of the chain, constructing ion hopping highways. As a result, the TerP/CoP (TC) SPE exhibits a high ionic conductivity (2.37 × 10−4 S cm−1) and a quite large tLi+ of 0.61 at 25 °C. The Li/TC SPE/Li symmetric cells cycle stably for more than half a year (>4500 h) and the LiNi0.8Co0.1Mn0.1O2/TC SPE/Li cell cycles steadily for 1000 and 600 cycles at 1 C and 2 C at 25 °C, respectively. This work paves a new way to prepare high‐performance SPEs by simultaneously modulating dielectric constants and conformation of polymers.
Ink Design Enabling Slot‐Die Coated Perovskite Solar Cells with >22% Power Conversion Efficiency, Micro‐Modules, and 1 Year of Outdoor Performance Evaluation
Authors: Li Jinzhao , Dagar Janardan , Shargaieva Oleksandra , Maus Oliver , Remec Marco , Emery Quiterie , Khenkin Mark , Ulbrich Carolin , Akhundova Fatima , Márquez José A. , Unold Thomas , Fenske Markus , Schultz Christof , Stegemann Bert , Al‐Ashouri Amran , Albrecht Steve , Esteves Alvaro Tejada , Korte Lars , Köbler Hans , Abate Antonio , Többens Daniel M. , Zizak Ivo , List‐Kratochvil Emil J. W. , Schlatmann Rutger , Unger Eva
Published: March 2023

The next technological step in the exploration of metal‐halide perovskite solar cells is the demonstration of larger‐area device prototypes under outdoor operating conditions. The authors here demonstrate that when slot‐die coating the halide perovskite layers on large areas, ribbing effects may occur but can be prevented by adjusting the precursor ink's rheological properties. For formamidinium lead triiodide (FAPbI3) precursor inks based on 2‐methoxyethanol, the ink viscosity is adjusted by adding acetonitrile (ACN) as a co‐solvent leading to smooth FAPbI3 thin‐films with high quality and layer homogeneity. For an optimized content of 46 vol% of the ACN co‐solvent, a certified steady‐state performance of 22.3% is achieved in p‐i‐n FAPbI3‐perovskite solar cells. Scaling devices to larger areas by making laser series‐interconnected mini‐modules of 12.7 cm2, a power conversion efficiency of 17.1% is demonstrated. A full year of outdoor stability testing with continuous maximum power point tracking on encapsulated devices is performed and it is demonstrated that these devices maintain close to 100% of their initial performance during winter and spring followed by a significant performance decline during warmer summer months. This work highlights the importance of the real‐condition evaluation of larger area device prototypes to validate the technological potential of halide perovskite photovoltaics.
Fluorination and its Effects on Electrocatalysts for Low‐Temperature Fuel Cells
Authors: Chatenet Marian , Berthon‐Fabry Sandrine , Ahmad Yasser , Guérin Katia , Colin Marie , Farhat Hani , Frezet Lawrence , Zhang Gaixia , Dubois Marc
Published: March 2023

The benefits of covalent grafting of fluorine atoms onto carbonaceous materials are described for the design of new electrocatalysts for low‐temperature fuel cells. In order to obtain the best results, the fluorination conditions must be carefully chosen according to the physicochemical properties of the starting materials (specific surface area, pore size distribution, crystallinity, and doping). By describing the main fluorination routes, the article aims to help in the choice of efficient treatment conditions. The effects of fluorination on the performance of the platinum group metal (PGM)‐based catalyst and the non‐PGM‐based electrocatalyst are discussed. Finally, future research prospects and technical challenges of fluorination for fuel cells are proposed.
Composition analysis of gastrointestinal contents of laboratory‐reared and wild lake sturgeon (Acipenser fulvescens)
Authors: Naznin Afroza , Genz Janet
Published: March 2023

This study assessed the composition of digesta from captive and wild Acipenser fulvescens to consider how food availability and dietary absorption may influence stocking survival. Non‐lethal gastric lavage and colonic flushing were evaluated in laboratory fish and then in wild A. fulvescens caught from the Tennessee River. Gastrointestinal contents were collected at 2, 4, 6, 12, 24, and 32 h post‐feeding. The stomach content relative to ingested food was 36.67% ± 5.09% at 2 h post‐feeding, peaking at 4 h (75.82% ± 14.09%), and no food was recovered after 12 h. The colonic solid waste (g/kg) increased with time, with the highest recovery (5.40 ± 1.30 g/kg) at 32 h. Proximate composition of collected samples was determined using standard colorimetric assay protocols. There was a significant reduction in protein concentration in the stomach starting at 2 h, and glucose concentrations were stable in both stomach and colonic contents from 2 to 32 h post‐feeding in laboratory animals, suggesting longer processing times for dietary glucose compared to other nutrients. The protein concentration of recovered stomach solids was very similar between laboratory and wild populations (46.17 ± 7.32 vs. 40.00 ± 6.57 mg/dL) and in colonic solids (22.99 ± 4.26 vs. 19.86 ± 3.95 mg/dL). Lipid concentrations, however, deviated substantially, with 40.11 ± 7.71 mg/dL in stomach and 35.59 ± 7.29 mg/dL in faeces of laboratory fish, and only 18.26 ± 3.47 mg/dL (stomach) and 22.00 ± 5.54 mg/dL (colonic) in wild fish. Glucose represented a relatively small fraction in both stomach and colonic contents and differed based on habitat only in the colon, with wild fish retaining complex sugars for longer periods. These results indicate that high‐energy diet components are either reduced in natural diets or are preferentially absorbed within the first 12 h compared to laboratory fish. More study on use of lipid‐dense foods in the riverine environment may provide information to improve the survival of A. fulvescens to support their reintroduction.
Trends in clinical trials for olfactory dysfunction in the COVID‐19 era
Authors: Wang Vickie J. , Abdou Hisham , Sheth Amar H. , Manes R. Peter , Rimmer Ryan
Published: March 2023

Key points

Nearly half of all olfactory dysfunction (OD) clinical trials since 2010 are COVID‐19–related.

COVID‐19‐related OD trials are published significantly faster than COVID‐19–unrelated trials.

High‐quality clinical trials and publications are crucial to discovering effective treatments.
Psychophysical assessment of olfactory and gustatory function in post‐mild COVID‐19 patients: A matched case‐control study with 2‐year follow‐up
Authors: Boscolo‐Rizzo Paolo , Hummel Thomas , Invitto Sara , Spinato Giacomo , Tomasoni Michele , Emanuelli Enzo , Tofanelli Margherita , Cavicchia Angelo , Grill Vittorio , Vaira Luigi Angelo , Lechien Jerome R , Borsetto Daniele , Polesel Jerry , Dibattista Michele , Menini Anna , Hopkins Claire , Tirelli Giancarlo
Published: March 2023

Background

The aim of this study was to psychophysically evaluate the prevalence of smell and taste dysfunction 2 years after mildly symptomatic severe acute respiratory syndrome–coronavirus‐2 (SARS‐CoV‐2) infection compared to that observed at 1‐year follow‐up and while considering the background of chemosensory dysfunction in the no‐coronavirus disease 2019 (COVID‐19) population.

Method

This is a prospective case‐control study on 93 patients with polymerase chain reaction (PCR)‐positive SARS‐CoV‐2 infection and 93 matched controls. Self‐reported olfactory and gustatory dysfunction was assessed by 22‐item Sino‐Nasal‐Outcome Test (SNOT‐22), item “Sense of smell or taste.” Psychophysical orthonasal and retronasal olfactory function and gustatory performance were estimated using the extended Sniffin’ Sticks test battery, 20 powdered tasteless aromas, and taste strips test, respectively. Nasal trigeminal sensitivity was assessed by sniffing a 70% solution of acetic acid.

Results

The two psychophysical assessments of chemosensory function took place after a median of 409 days (range, 366–461 days) and 765 days (range, 739–800 days) from the first SARS‐CoV‐2–positive swab, respectively. At 2‐year follow‐up, cases exhibited a decrease in the prevalence of olfactory (27.9% vs. 42.0%; absolute difference, −14.0%; 95% confidence interval [CI], −21.8% to −2.6%; p = 0.016) and gustatory dysfunction (14.0% vs. 25.8%; absolute difference, −11.8%; 95% CI, −24.2% to 0.6%; p = 0.098). Subjects with prior COVID‐19 were more likely than controls to have an olfactory dysfunction (27.9% vs. 10.8 %; absolute difference, 17.2%; 95% CI, 5.2% to 28.8%) but not gustatory dysfunction (14.0% vs. 9.7%; absolute difference, 4.3%; 95% CI, −5.8% to 14.4% p = 0.496) still 2 years after the infection. Overall, 3.2% of cases were still anosmic 2 years after the infection.

Conclusions

Although a proportion of subjects recovered from long‐lasting smell/taste dysfunction more than 1 year after COVID‐19, cases still exhibited a significant excess of olfactory dysfunction 2 years after SARS‐CoV‐2 infection when compared to matched controls.
Era of the 4D animal model
Authors: Zhang Lihong , Guo Jindan , Liu Jiangning
Published: March 2023

Revealing the entire dynamics of pathogenesis is critical for understanding, preventing and treating human disease but is limited by systematic clinical sampling. This drawback can be overcome with animal model studies. Recent advances in phenotyping, omics and bioinformatics technologies promote the development of the 4D animal model to simulate and digitally display the spatiotemporal landscapes of phenotypes and molecular dynamics in human diseases and reveal novel targets for diagnosis and therapy. In this commentary, the origin, supporting technologies, content, function and application, and advantages of 4D animal models over clinical studies and traditional animal models, as well as their limitations, are presented.
Cytokines inNew‐OnsetRefractory Status Epilepticus Predict Outcomes
Authors: Hanin Aurélie , Cespedes Jorge , Dorgham Karim , Pulluru Yashwanth , Gopaul Margaret , Gorochov Guy , Hafler David A. , Navarro Vincent , Gaspard Nicolas , Hirsch Lawrence J.
Published: March 2023

Objective

The objective of this study was to investigate inflammation using cerebrospinal fluid (CSF) and serum cytokines/chemokines in patients with new‐onset refractory status epilepticus (NORSE) to better understand the pathophysiology of NORSE and its consequences.

Methods

Patients with NORSE (n = 61, including n = 51 cryptogenic), including its subtype with prior fever known as febrile infection‐related epilepsy syndrome (FIRES), were compared with patients with other refractory status epilepticus (RSE; n = 37), and control patients without SE (n = 52). We measured 12 cytokines/chemokines in serum or CSF samples using multiplexed fluorescent bead‐based immunoassay detection. Cytokine levels were compared between patients with and without SE, and between the 51 patients with cryptogenic NORSE (cNORSE) and the 47 patients with a known‐etiology RSE (NORSE n = 10, other RSE n = 37), and correlated with outcomes.

Results

A significant increase of IL‐6, TNF‐α, CXCL8/IL‐8, CCL2, MIP‐1α, and IL‐12p70 pro‐inflammatory cytokines/chemokines was observed in patients with SE compared with patients without SE, in serum and CSF. Serum innate immunity pro‐inflammatory cytokines/chemokines (CXCL8, CCL2, and MIP‐1α) were significantly higher in patients with cNORSE compared to non‐cryptogenic RSE. Patients with NORSE with elevated innate immunity serum and CSF cytokine/chemokine levels had worse outcomes at discharge and at several months after the SE ended.

Interpretation

We identified significant differences in innate immunity serum and CSF cytokine/chemokine profiles between patients with cNORSE and non‐cryptogenic RSE. The elevation of innate immunity pro‐inflammatory cytokines in patients with NORSE correlated with worse short‐ and long‐term outcomes. These findings highlight the involvement of innate immunity‐related inflammation, including peripherally, and possibly of neutrophil‐related immunity in cNORSE pathogenesis and suggest the importance of utilizing specific anti‐inflammatory interventions. ANN NEUROL 2023;94:75–90
Insights into the Role of Graphitic Carbon Nitride as a Photobase in Proton‐Coupled Electron Transfer in (sp3)C−H Oxygenation of Oxazolidinones
Authors: Galushchinskiy Alexey , Zou Yajun , Odutola Jokotadeola , Nikačević Pavle , Shi Jian‐Wen , Tkachenko Nikolai , López Núria , Farràs Pau , Savateev Oleksandr
Published: March 2023

Graphitic carbon nitride (g‐CN) is a transition metal free semiconductor that mediates a variety of photocatalytic reactions. Although photoinduced electron transfer is often postulated in the mechanism, proton‐coupled electron transfer (PCET) is a more favorable pathway for substrates possessing X−H bonds. Upon excitation of an (sp2)N‐rich structure of g‐CN with visible light, it behaves as a photobase—it undergoes reductive quenching accompanied by abstraction of a proton from a substrate. The results of modeling allowed us to identify active sites for PCET—the ‘triangular pockets’ on the edge facets of g‐CN. We employ excited state PCET from the substrate to g‐CN to selectively cleavethe endo‐(sp3)C−H bond in oxazolidine‐2‐ones followed by trapping the radical with O2. This reaction affords 1,3‐oxazolidine‐2,4‐diones. Measurement of the apparent pKa value and modeling suggest that g‐CN excited state can cleave X−H bonds that are characterized by bond dissociation free energy (BDFE) ≈100 kcal mol−1.
Effect of raw material composition on combustion behavior of quasi‐particles in the iron ore sintering process
Authors: Meng Hanxiao , Wang Jiankang , Xue Xue , Huang Shengyao , Zhou Hao
Published: March 2023

As the basic unit of iron ore sintering bed, the combustion behavior of quasi‐particles significantly impacts the sintering process. Adding biomass char leads to the deterioration of sintering quality, which was originally for the reduction of carbon emission. In this study, the isothermal thermogravimetric platform was used to analyze the combustion behavior of quasi‐particles using different fuels and ores. The results show that the mass of quasi‐particles packed bed decreases rapidly with combustion, then rises slowly, and then tends to be stable. The quasi‐particle samples in the combustion process were quenched with liquid nitrogen, and the composition changes in the quasi‐particle combustion process were analyzed. The results show that the excessive mass loss is caused by the reduction of iron ore in the sintering atmosphere, which also means heat loss. Compared with the samples using coke, when the fuel is exhausted, the proportion of calcium ferrite in the samples using charcoal decreases by 10.94%, while the proportion of magnetite and FeO is 11.36% and 1.04% higher, respectively, which will further lead to the formation of calcium iron olivine and reduce the sinter strength. The addition of magnetic concentrate may help to reduce the heat loss caused by the reduction reactions, but it is necessary to optimize the sintering process.
Organophotoredox‐mediated Formal [3+2]‐Cycloaddition of 2H‐Azirines with Aryldiazonium Salts: Direct Access to Trisubstituted 1,2,4‐Triazoles
Authors: Mishra Poornima , Kumar Prashant , Srivastava Oj Shikhar , Rastogi Namrata
Published: March 2023

The present work documents an organophotoredox‐mediated formal [3+2]‐cycloaddition of 2H‐azirines with aryl diazonium tetrafluoroborate salts to furnish 1,3,5‐trisubstituted 1,2,4‐triazoles. The reaction furnishes a regioisomeric mixture of 1,2,4‐triazoles in case of unsymmetrically substituted azirines. It is noteworthy that aryl radical generation from diazonium salt under visible light photoredox conditions could be successfully avoided by carefully selecting the reaction conditions.
Helicity characteristics of cyclonic vortexes and their effect on convection in a wide‐ranging extreme rainstorm in China
Authors: Chen Yongren , Li Yueqing , Liu Xinchao , Zhu Li
Published: March 2023

On 20–22 July 2012, a severe rainstorm occurred in the Sichuan basin of Southwest China and in the Beijing area of North China. This rainstorm was related to the activities of a Tibetan Plateau vortex (TPV) and Southwest China vortex (SWCV). By using radiosonde, satellite brightness temperature, and NCEP_FNL data, we investigated the helicity characteristics nearly the vortexes and their effect on convection. Results showed that (1) strong precipitation in the Sichuan basin was mainly related to the interaction between the TPV and SWCV, while strong precipitation in the Beijing area was related to the northward movement of a cyclonic vortex caused by a split in the SWCV. (2) During the occurrence of the rainstorm, four mesoscale convection systems (MCSs) were observed. Their vertical structure showed a positive vorticity–negative divergence in the lower levels, and negative vorticity–positive divergence in the upper levels, accompanied by vertical upward movement. This was an important factor in the development and maintenance of MCSs, as well as one of the mechanisms for producing heavy precipitation. On this basis, we further discussed the effect of helicity on the MCSs in the atmospheric environment with rotational characteristics. Results showed that the increase in negative water vapour helicity and storm‐relative helicity were more likely to cause a strong development of MCSs.
Order restricted inference for a multiple step‐stress model with long‐term survivors for a general family of distributions
Authors: Pal Ayan , Mitra Sharmishtha , Kundu Debasis
Published: March 2023

In this article, we propose a failure rate based step‐stress accelerated life testing (SSALT) model assuming that the time‐to‐event distribution belongs to a fairly general family of distributions and the underlying population consists of long term survivors. With increase in stress levels, it is expected that the mean time to the event of interest gets shortened leading to an order restriction among the mean times‐to‐event. We propose here a method of obtaining order restricted maximum likelihood estimators (MLEs) based on expectation maximization (EM) algorithm coupled with the method of generalized isotonic regression technique. Additionally, we address the testing of hypothesis problem for the presence of long term survivors in the underlying population based on both asymptotic and non‐asymptotic approaches. To illustrate the effectiveness of the proposed method, extensive simulation experiments are carried out and a real data set is analyzed.
Quantitative Cell Classification Based on Calibrated Impedance Spectroscopy and Metrological Uncertainty
Authors: Moradpour Amin , Kasper Manuel , Kienberger Ferry
Published: March 2023

Electrochemical impedance spectroscopy (EIS) is widely used for battery cell testing in industrial production and R&D labs. This work addresses the use of EIS calibration and uncertainty analysis in cell classification. Five scenarios are investigated to discuss qualitatively the impact of calibration and uncertainty on classification. For an experimental demonstration, a cylindrical cell was measured with two mechanical fixtures of different qualities and characterized regarding random errors and calibrated impedances. The impact of uncertainty and impedance calibration on the cell classification is shown, and based on the uncertainty and corresponding error bounds, a confidence level was established for the classification results. Quantitative uncertainty bounds are presented for the full EIS frequency spectrum ranging from 150 mHz to 5 kHz.
Bildbasierte Frischbetonprüfung – Teil 1: Konsistenz und Leimgehalt des Frischbetons
Authors: Schack Tobias , Coenen Max , Haist Michael
Published: March 2023

Zur Prüfung der Eigenschaften von Frischbeton liegen gegenwärtig nur sehr einfache empirische Prüfverfahren vor. Im DACH‐Raum wird überwiegend das Ausbreitmaß als Prüfverfahren eingesetzt. Aus dem Durchmesser des ausgebreiteten Frischbetons wird dabei auf die Konsistenz des Betons geschlossen. (Korrektur‐)Maßnahmen bei festgestellten Qualitätsabweichungen basieren nahezu ausschließlich auf einer subjektiven Augenscheinprüfung und demnach auf dem Erfahrungswissen der handelnden Personen. Zur Überwindung und Erweiterung dieser stark subjektiv geprägten Frischbetonprüfung wurde eine bildbasierte Methodik zur Ermittlung von (Frisch‐)Betoneigenschaften entwickelt und validiert. Neben dem Durchmesser können so u. a. aus der Oberflächengestalt umfangreiche – bislang für den Prüfenden unzugängliche – Informationen z. B. zur Betonzusammensetzung oder zur Homogenität des Frischbetons abgeleitet werden. Im vorliegenden Beitrag werden zunächst die Grundlagen für die bildbasierte Frischbetonprüfung erläutert und anschließend eine Methode zur bildbasierten Ermittlung der Konsistenz und des Leimgehalts von frischem Beton vorgestellt. In Folgebeiträgen wird darauf aufbauend die bildbasierte Ermittlung granulometrischer Eigenschaften (Teil 2) und der Homogenität des Frischbetons vorgestellt (Teil 3).
Deep into the niche: Deciphering local endoderm‐microenvironment interactions in development, homeostasis, and disease of pancreas and intestine
Authors: Szlachcic Wojciech J. , Letai Katherine C. , Scavuzzo Marissa A. , Borowiak Malgorzata
Published: March 2023

Unraveling molecular and functional heterogeneity of niche cells within the developing endoderm could resolve mechanisms of tissue formation and maturation. Here, we discuss current unknowns in molecular mechanisms underlying key developmental events in pancreatic islet and intestinal epithelial formation. Recent breakthroughs in single‐cell and spatial transcriptomics, paralleled with functional studies in vitro, reveal that specialized mesenchymal subtypes drive the formation and maturation of pancreatic endocrine cells and islets via local interactions with epithelium, neurons, and microvessels. Analogous to this, distinct intestinal niche cells regulate both epithelial development and homeostasis throughout life. We propose how this knowledge can be used to progress research in the human context using pluripotent stem cell‐derived multilineage organoids. Overall, understanding the interactions between the multitude of microenvironmental cells and how they drive tissue development and function could help us make more therapeutically relevant in vitro models.
Teaching children with autism spectrum disorder to tact auditory stimuli: A replication
Authors: Bergmann Samantha , Niland Haven , Otero Maria , Gavidia Valeria Laddaga , Kodak Tiffany
Published: March 2023

It is important that tacts are controlled by stimuli across all senses but teaching tacts to children with autism spectrum disorder (ASD) is often limited to visual stimuli. This study replicated and extended a study on the effects of antecedent‐stimulus presentations on the acquisition of auditory tacts. We used a concurrent multiple probe across sets design and an embedded adapted alternating treatments design to evaluate acquisition of auditory tacts when auditory stimuli were presented alone (i.e., isolated) or with corresponding pictures (i.e., compound‐with‐known and compound‐with‐unknown) with two school‐aged boys with ASD. Both participants' responding met the mastery criterion no matter the stimulus presentation with at least one set, but one participant failed to acquire one set of stimuli in the isolated condition. The isolated condition was rarely the most efficient. We conducted post‐training stimulus‐control probes, and we observed disrupted stimulus control in the isolated condition for one participant. Implications for arranging auditory tacts instruction are discussed.
Evaluating the HCR‐20V3violence risk assessment measure with mentally disordered offenders and civil psychiatric patients in China
Authors: Chen Yifan , Douglas Kevin S. , Zhang Zhuo , Xiao Cunli , Wang Haiyan , Wang Yuhao , Ma Ai
Published: March 2023

The current prospective risk assessment study evaluated the application of the Chinese translation of the Historical‐Clinical‐Risk Management‐20 Version 3 (HCR‐20V3) in a sample of 152 offenders with mental disorders and civil psychiatric patients. The ratings of the presence and relevance of risk factors were compared, as well as summary risk ratings (SRRs), both across offenders and civil psychiatric patients, and across male and female sub‐samples. Interrater reliability was consistently “excellent” for the presence and relevance of risk factors and for SRRs. Concurrent validity analyses indicated that HCR‐20V3was strongly correlated with Violence Risk Scale (fromr = 0.53 to 0.71). The results of predictive validity analyses provided strong support for the bivariate associations between the main indices of HCR‐20V3and violence within 6 weeks, 7–24 weeks, and 6 months; SRRs added incrementally to both relevance and presence ratings across three follow‐up lengths.
Jupyter Notebooks for the study of advanced topics in Fluid Mechanics
Authors: Castilla Robert , Peña Marta
Published: March 2023

In recent years, Jupyter Notebooks have become a very useful free and open‐source tool in teaching, as they allow you to combine text, images, mathematical expressions, links and code into a single document. This gives students an interactive document with which they can experiment and learn with the help of high‐level mathematical calculus. In Fluid Mechanics, it is very common for students to deal with complex computations that take away attention from the Mechanic, especially in advanced topics such as Rheology, Turbulence, or Boundary Layer. The subject “Advanced Fluid Mechanics” is an elective one of the last year of the Bachelor's degree in Industrial and Aerospace Technology Engineering at the Terrassa School of Industrial, Aerospace and Audiovisual Engineering at the Universitat Politècnica de Catalunya. This subject has three ECTS credits and has been taught since the academic year 2020–2021 This subject complements the compulsory subject Fluid Mechanics and is developed in 6 weeks with 5 h of class each week. This work presents Fluid Mechanics modules with Jupyter Notebooks that complement the syllabus given in the compulsory subject. An elective subject is presented where subjects of Fluid Mechanics per week are studied independently, using different Python tools: symbolic calculation, modeling of experimental data, statistical analysis, numerical calculation, and so forth. The main goal is for the student to focus on mechanical concepts and actively learn to use the tools available, especially open source, to do the associated mathematical calculations.
Speak out, stay safe: Including children with special educational needs and disabilities in an evaluation of an abuse prevention programme
Authors: Kelly Berni , Farrelly Nicola , Batool Farwa , Kurdi Zain , Stanley Nicky
Published: March 2023

This paper reports on the evaluation of an integrated violence and abuse prevention programme for children aged 5–11, focusing on children with special educational needs and disabilities (SEND). The Speak Out Stay Safe (SOSS) programme was delivered in mainstream primary schools across the UK. A small‐scale study of children with SEND nested within the larger evaluation captured their understandings of abuse and harm and readiness to seek help. A specially adapted survey was completed by 76 children with SEND (aged 6–7 and 9–10) at baseline (31 intervention; 45 comparison schools), 12 in intervention schools post‐programme and 37 (four intervention; 33 comparison schools) six months post‐baseline. Qualitative data was captured through 16 teacher interviews. Whilst this nested study was compromised by the COVID‐19 pandemic, it provides important evidence that with appropriate adaptations, a survey approach to investigating the learning of children with SEND can be effective. Findings indicate that awareness of abuse and help seeking strategies may improve over time, whilst interview data suggests that adapting the programme to be inclusive of those children may have a better effect. However, a much larger sample of children with SEND is required to confidently measure the effects of such programmes for this population.
Antioxidant, Anti‐Skin‐Aging, Anti‐Inflammatory, and Anti‐Acetylcholinesterase Activities of Rourea oligophlebia Extracts
Authors: Buranasudja Visarut , Vimolmangkang Sornkanok , Sanookpan Kittipong , Binalee Asma , Bao Nguyen Anh , Dong Thach Ut , Hang Do Bich , Son Dang Van , Minh Do Kiep , Minh Nguyen Hien
Published: March 2023

The objective of this study was to evaluate the antioxidant, anti‐skin‐aging, anti‐inflammatory, and anti‐acetylcholinesterase activities of the hexane (n‐hex), AcOEt, BuOH, MeOH, and aqueous extracts from R. oligophlebia roots. The total phenolic and flavonoid contents (TPC and TFC) were determined using Folin‐Ciocalteu and AlCl3 colorimetric assays. The antioxidant capacity was examined by reducing power (RP), ferric reducing antioxidant power (FRAP), ABTS⋅+, and DPPH⋅+ radical cation assays. All extracts potentially exhibited antioxidant activity with IC50 values ranging from 2.93 to 5.73 μg/mL for ABTS⋅+ and from 5.69 to 7.65 μg/mL for DPPH⋅+ except the n‐hex extract. The BuOH, MeOH, and aqueous extract possess promising anti‐skin‐aging activities, as observed by an attenuation of UV‐A toxicity on human keratinocytes. We proposed that these anti‐skin‐aging properties are possibly due to direct scavenging activity against reactive oxygen species and upregulate cellular antioxidant machinery. Moreover, we found that the antioxidant capacity was well correlated with anti‐inflammatory capacity against nitric oxide (NO) production in terms of the n‐hex, AcOEt, and BuOH extracts with IC50 values from 23.21 to 47.1 μg/mL. In contrast, these activities were found to be poorly correlated with AchE activity. To the best of our knowledge, this is the first report of the antioxidant, anti‐skin‐aging, anti‐inflammatory, and anti‐acetylcholinesterase activities of the extracts of R. oligophlebia roots. These findings indicated that this species could be a potential source of natural antioxidant, anti‐aging, and anti‐inflammatory agents. Consequently, it may be suggested as a medicinal plant that prevents diseases related to oxidative stress and inflammatory responses.
Carotenoid pigment of Halophilic archaeon Haloarcula sp. A15 induces apoptosis of breast cancer cells
Authors: Shahbazi Saghar , Zargar Mohsen , Zolfaghari Mohammad Reza , Amoozegar Mohammad Ali
Published: March 2023

The halophilic microorganisms living in extreme environments contain high concentrations of carotenoids with notable medical abilities. The purpose of this study was to evaluate the anticancer effect of carotenoids extracted from native Iranian halophilic microorganisms with the ability to inhibit breast cancer cell line. To begin the study, 40 halophilic strains were cultured, and 8 strains capable of producing pigmented colonies were chosen from those cultured strains. In the next step, from among 8 strains using MTT assay, 1 capable of reducing cell viability of the breast cancer MCF‐7 cell line was chosen as a selective strain. The principal carotenoid was characterized using UV‐visible, FT‐IR spectroscopic, and LC‐MASS analyses. Using real time PCR technique, the expression of genes specific for apoptosis, in the presence or absence of carotenoid, was examined. Among all strains, carotenoid extracted from strain A15 had the most potent cytotoxic effect on breast cancer cell line (IC50 = 0.0645 mg/mL). 16S rRNA gene analysis showed that strain A15 had similarity with Haloarcula hispanica for about 99.5%. According to the analysis results, it could be estimated that the principal carotenoid extracted form Haloarcula sp. A15 was similar to bacterioruberin. Both early and late apoptosis were increased significantly about 10% and 39%, respectively, due to upregulation of CASP3, CASP8, BAX genes expression in MCF‐7 cell line. In contrast, the expression of genes MKI67, SOX2 were significantly downregulated in treated MCF‐7 cell line. The results of this study showed that Halophilic archaeon strain could be a good candidate for the production of high added‐value bacterioruberin due to its possible anticancer properties.
Chiral phonons: circularly polarized Raman spectroscopy and ab initio calculations in a chiral crystal tellurium
Authors: Ishito Kyosuke , Mao Huiling , Kobayashi Kaya , Kousaka Yusuke , Togawa Yoshihiko , Kusunose Hiroaki , Kishine Jun‐ichiro , Satoh Takuya
Published: March 2023

Recently, phonons with chirality (chiral phonons) have attracted significant attention. Chiral phonons exhibit angular and pseudoangular momenta. In circularly polarized Raman spectroscopy, the peak split of the
mode is detectable along the principal axis of the chiral crystal in the backscattering configuration. In addition, peak splitting occurs when the pseudoangular momenta of the incident and scattered circularly polarized light are reversed. Until now, chiral phonons in binary crystals have been observed, whereas those in unary crystals have not been observed. Here, we observe chiral phonons in a chiral unary crystal Te. The pseudoangular momentum of the phonon is obtained in Te by an ab initio calculation. From this calculation, we verified the conservation law of pseudoangular momentum in Raman scattering. From this conservation law, we determined the handedness of the chiral crystals. We also evaluated the true chirality of the phonons using a measure with symmetry similar to that of an electric toroidal monopole.
The European Federation for Medicinal Chemistry and Chemical Biology (EFMC) Best Practice Initiative: Hit Generation
Authors: Quancard Jean , Vulpetti Anna , Bach Anders , Cox Brian , Guéret Stéphanie M. , Hartung Ingo V. , Koolman Hannes F. , Laufer Stefan , Messinger Josef , Sbardella Gianluca , Craft Russell
Published: March 2023

Hit generation is a crucial step in drug discovery that will determine the speed and chance of success of identifying drug candidates. Many strategies are now available to identify chemical starting points, or hits, and each biological target warrants a tailored approach. In this set of best practices, we detail the essential approaches for target centric hit generation and the opportunities and challenges they come with. We then provide guidance on how to validate hits to ensure medicinal chemistry is only performed on compounds and scaffolds that engage the target of interest and have the desired mode of action. Finally, we discuss the design of integrated hit generation strategies that combine several approaches to maximize the chance of identifying high quality starting points to ensure a successful drug discovery campaign.
Design and Synthesis of 1,3‐Diynes as Potent Antifungal Agents against Aspergillus fumigatus
Authors: Goswami Lakshmi , Gupta Lovely , Paul Sayantan , Vijayaraghavan Pooja , Bhattacharya Asish K.
Published: March 2023

Eugenol and isoeugenol, secondary metabolites isolated from the plant Myristica fragrans have displayed antifungal activities against Aspergillus fumigatus (IC50 1900 μM). Compounds having conjugated unsaturation have been of great use as antifungals i. e. amphotericin B, nystatin and terbinafine etc. Hence, in the present study, we have designed and synthesised 1,3‐diynes by utilizing Glaser‐Hay and Cadiot‐Chodkiewicz coupling reactions to furnish possible antifungal agents. Synthesis of 1,6‐diphenoxyhexa‐2,4‐diyne derivatives was achieved by Cu(I) catalysed coupling of propargylated eugenol, isoeugenol, guaiacol, vanillin and dihydrogenated eugenol or eugenol in good to excellent yields. All the synthesized compounds were evaluated against pathogenic fungus A. fumigatus. Among all the synthesized compounds, one of the compounds was found to be exhibiting promising antifungal activity with IC50 value of 7.75 μM thereby suggesting that this type of scaffold could pave the way for developing new antifungal agents. The most active compound was found to be low cytotoxic when assayed against L‐132 cancer cell line. Effect of the most active compound on ergosterol biosynthesis has also been studied. Also, the most active compound exhibited significant anti‐biofilm activity although the concentration was found to be higher than its anti‐fungal activity. Morphological changes in the biofilm were remarkable under confocal laser scanning microscopy.
Loss of anti‐spike antibodies following mRNA vaccination for COVID‐19 among patients with multiple myeloma
Authors: Stampfer Samuel D. , Bujarski Sean , Goldwater Marissa‐Skye , Jew Scott , Regidor Bernard , Chen Haiming , Xu Ning , Li Mingjie , Fung Eddie , Swift Regina , Beatty Bethany , Eshaghian Shahrooz , Berenson James R.
Published: March 2023

Background

Multiple myeloma (MM) patients have variable responses to mRNA vaccination to COVID‐19. Little is known regarding their vaccine‐induced antibody levels over time.

Methods

We monitored spike IgG antibody levels over 24 weeks among a subset of 18 MM patients who showed a full response after two mRNA vaccinations.

Results

MM patients had a more rapid decline in antibody levels as compared to eight healthy controls, with power law half‐lives of 72 days (vs. 107 days) and exponential half‐lives of 37 days (vs. 51 days). The patients with longer SARS‐CoV‐2 antibody half‐lives were more likely to have undetectable monoclonal protein than those with shorter half‐lives, suggesting better disease control may correlate with longer duration of vaccine‐induced antibodies. Regardless, by 16 weeks post‐second dose of mRNA vaccination, the majority of patients had antibody levels below 250 binding arbitrary units per milliliter, which would be unlikely to contribute to preventing COVID‐19.

Conclusions

Thus, even MM patients who respond adequately to vaccination are likely to require more frequent booster doses than the general population.
An integrated approach for dual resource optimization of relay‐based mobile edge computing system
Authors: Garg Aakansha , Arya Rajeev , Singh Maheshwari Prasad
Published: March 2023

The evolution of IoT, 5G and 6G aims to provide almost zero latency. Computation tasks size is different for different users. A framework for task computation achieving almost zero latency for stochastic demand is a challenge. A relay‐based D2D mobile edge computing (MEC) system is proposed. The idle device present in the networks is used as relay resources (RS). Mobile devices (MDs) communicate task to relay resources (RS) using D2D communication link. The RS perform computation and offloaded to edge server (ES). It aims to minimize total cost, energy expenditure and overall latency. Problem is formulated as mixed‐integer nonlinear‐constrained problem (MINCP). A three‐step algorithm to optimize relay selection, power allocation and computation resource allocation is proposed. In the initial step optimal relay selection is obtained by the Kuhn‐Munkres (KM) algorithm. In the next step, power allocation is obtained using Q‐learning. In the last step, the main problem is converted into a cost optimization problem deciphered by the proposed algorithm. The substantial simulation results indicate the relay‐based MEC system to achieve an astounding outcome in terms of latency, energy consumption and cost. Compared with other baseline methods, the proposed algorithm can achieve reduced energy consumption and cost for almost zero latency.
Generation of Helical States – Breaking of Symmetries, Curie's Principle, and Excited States**
Authors: Sabalot‐Cuzzubbo Julia , Lafargue‐Dit‐Hauret William , Rérat Michel , Costuas Karine , Bégué Didier , Cresson Jacky
Published: March 2023

Herein, we deeply detail for the very first time mathematical concepts behind the generation of helical molecular orbitals (MOs) for linear chains of atoms. We first give a definition of helical MOs and we provide an index measuring how far a given helical states is from a perfect helical distribution. Structural properties of helical distribution for twisted
‐cumulene and cumulene version of Möbius systems are given. We then give some simple structural assumptions as well as symmetry requirements ensuring the existence of helical MOs. Considering molecules which do not admit helical MOs, we provide a first way to induce helical states by the breaking of symmetries. We also explore an alternative way using excited conformations of given molecules as well as different electronic multiplicities.
Phosphinine Selenide: Noncovalent Interactions with Organoiodines and Elemental Iodine, and Reactivity towards Potassium Cyanide
Authors: Lin Jinxiong , Coles Nathan T. , Weber Manuela , Müller Christian
Published: March 2023

Invited for this month's cover is the group of Prof. Dr. Christian Müller from Freie Universität Berlin, Germany. The cover picture shows a phosphinine selenide that interacts with organoiodines and halogens to form co‐crystalline and charge‐transfer adducts. More information can be found in the Research Article by Christian Müller and co‐workers.
Bis(triarylmethylium)‐type Macrocyclic Dications: Mechanochromic Emission Extending to the Red Region
Authors: Ishigaki Yusuke , Tachibana Takuya , Sugawara Kazuma , Kikuchi Moto , Suzuki Takanori
Published: March 2023

Macrocyclic dications 22+ composed of two triarylmethylium units were designed and synthesized. In contrast to the reference monocations 1+, macrocyclic dications 22+ exhibited mechanochromic emission extending to the red region (−900 nm), since the luminescence color in a solid state can reversibly change due to their constrained structures granted by alkylene linkers and the choice of a proper counterion. X‐ray diffraction and spectroscopic analyses revealed that such mechanochromic behavior was induced by the crystal‐to‐amorphous transition. A change in the intermolecular interaction of macrocyclic dications 22+ would be the key to realizing a change in the emission pattern, since the color of the molecules did not change by applying mechanical stimuli. These findings may suggest a design strategy for creating a variety of stimuli‐responsive materials, especially for carbocation‐based fluorescent materials.
Leadership in heels: Women on boards and sustainability in times of COVID‐19
Authors: Amorelli María‐Florencia , García‐Sánchez Isabel‐María
Published: March 2023

From a business perspective, the health and socio‐economic effects of the COVID‐19 have affected a firm's stakeholders to a different extent, making it necessary for them to develop sustainable initiatives that allow them to meet their needs. Decisions must be made and implemented in a recessionary environment in which companies debate whether it is economically reasonable to promote them and whether they can afford not to do so. In this work, based on the theory of social identity, we argue that these business commitments will have been promoted in companies with boards of directors that have a greater female presence. The results obtained for a sample of 4821 multinationals confirm that the repercussion of incidental affect on the social identity of the in‐group of female directors has partially slowed the setback that business sustainability has suffered due to the pandemic, which is especially important with respect to good governance policies and practices and guaranteeing the social and environmental commitment of previous years. This evidence has important theoretical and practical implications, contributing the current debate on strategic decisions regarding sustainability and the benefits associated with board gender diversity.
Melamine‐Based Hydrogen‐bonded Systems as Organoelectrocatalysts for Water Oxidation Reaction
Authors: Chhetri Ashis , Karthick Kannimuthu , Karmakar Arun , Kundu Subrata , Mitra Joyee
Published: March 2023

Applications of small organic molecules and hydrogen‐bonded aggregates, instead of traditional transition‐metal‐based electrocatalysts, are gaining momentum for addressing the issue of low‐cost generation of H2 to power a sustainable environment. Such systems offer the possibility to integrate desired functional moieties with predictive structural repetition for modulating their properties. Despite these advantages, hydrogen‐bonded organic systems have largely remained unexplored, especially as electrocatalysts. Melamine and adipic acid‐based hydrogen‐bonded organic ionic (BMA) and co‐crystal systems developed under varying temperatures are explored as electrocatalysts for water oxidation reaction (WOR). These systems are easily modifiable with precisely designed molecular architecture and judiciously positioned nitrogen atoms. Combined effect of charge‐assisted hydrogen bonding stabilizes the ionic BMA system under corrosive alkaline conditions and augments its remarkable electrocatalytic WOR activity, achieving a current density of 10 mA cm−2 at an overpotential of 387 mV and Faradaic efficiency ∼94.5 %. The enhanced electrocatalytic ability of BMA is attributed to its hydrophilic nature, unique molecular composition with complementary hydrogen‐bonded motifs and a high density of positively charged nitrogen atoms on the surface, that facilitates electrostatic interactions and accelerate charge and mass transport processes culminating in a turnover frequency of ∼0.024 s−1. This work validates the potential of hydrogen‐bonded molecular organo‐electrocatalysts towards WOR.
Disentangling the role of environmental filtering and biotic resistance on alien invasions in a reservoir area
Authors: Le Haichuan , Zhao Changming , Xiong Gaoming , Shen Guozhen , Xu Wenting , Deng Ying , Xie Zongqiang
Published: March 2023

Large‐scale water conservancy projects benefit human life but have modified the landscape and provided opportunities for alien plant invasions. Understanding the environmental (e.g., climate), human‐related (e.g., population density, proximity to human activities), and biotic (e.g., native plant, community structure) factors driving invasions is essential in the management of alien plants and biodiversity conservation in areas with intense human pressure. To this end, we investigated the spatial patterns of alien plant species distribution in the Three Gorges Reservoir Area (TGRA) of China and distinguished the role of the external environment and community characteristics in determining the occurrence of alien plants with differing levels of known invasion impacts in China using random forest analyses and structural equation models. A total of 102 alien plant species belonging to 30 families and 67 genera were recorded, the majority being annual and biennial herbs (65.7%). The results showed a negative diversity‐invasibility relationship and supported the biotic resistance hypothesis. Moreover, percentage coverage of native plants was found to interact with native species richness and had a predominant role in resisting alien plant species. We found alien dominance was mainly the result of disturbance (e.g., changes in hydrological regime), which drove native plant loss. Our results also demonstrated that disturbance and temperature were more important for the occurrence of malignant invaders than all alien plants. Overall, our study highlights the importance of restoring diverse and productive native communities in resistance to invasion.