bluuebunny/crossref_metadata_2025 huggingface dataset:
Superconductivity of K‐Intercalated Epitaxial Bilayer Graphene
Authors: Huempfner Tobias , Otto Felix , Forker Roman , Müller Paul , Fritz Torsten
Published: March 2023

Graphene‐based materials are among the most promising candidates for studying superconductivity arising from reduced dimensionality. Apart from doping by twisted stacking, superconductivity can also be achieved by metal‐intercalation of stacked graphene sheets, where the properties depend on the choice of the metal atoms and the number of graphene layers. Many different and even unconventional pairing mechanisms and symmetries are predicted in the literature for graphene monolayers and few‐layers. However, those theoretical predictions have yet to be verified experimentally. Here, it is shown that potassium‐intercalated epitaxial bilayer graphene is a superconductor with a critical temperature of Tc = 3.6 ± 0.1 K. By scanning‐tunneling microscopy and angle‐resolved photoelectron spectroscopy, the physical mechanisms are analyzed in great detail, using laboratory equipment. The data demonstrate that electron–phonon coupling is the driving force enabling superconductivity. Although the consideration of an s‐wave pairing symmetry is sufficient to explain the experimental data, evidence is found for the existence of multiple energy gaps. Furthermore, it is shown that low‐dimensional effects are most likely the cause of a gap ratio of 6.1 ± 0.2 that strongly exceeds the Bardeen‐Cooper‐Schrieffer (BCS) value of 3.52 for conventional superconductors. These results highlight the importance of reduced dimensionality yielding unusual superconducting properties of K‐intercalated epitaxial bilayer graphene.
Pure Green Upconversion from a Multicolor Downshifting Perovskite Crystal
Authors: Shi Yihan , Zhang Xiangzhou , Wang Xiaojia , Zhang Yuhai
Published: March 2023

Lanthanide‐doped halide perovskite has emerged as a promising phosphor for multimode luminescence. Here, a chloride‐based perovskite single crystal is reported, namely Cs2NaInCl6:Yb3+,Er3+, that is grown in a hydrothermal reactor. The as‐grown crystals feature two distinct luminescence behaviors under UV and 980 nm laser excitation, respectively. Under UV lamp excitation, the crystal shows a multicolor emission of sharp bands at 448, 550, and 660 nm, covering a wide color gamut in CIE diagram. In stark contrast, the crystal under 980 nm excitation exhibits a pure green upconversion with a green‐to‐red ratio up to 211. The universal green dominance is further demonstrated in many chlorides, including Cs2AgInCl6, Cs2NaBiCl6, and Cs2AgBiCl6. The strong green upconversion is used for optical thermometry, which demonstrates an unprecedented sensitivity up to 9.3% K−1 at the low temperature end. The work introduces a kind of new hosts for single‐band upconversion luminescence, opening up many possibilities in areas such as low‐threshold laser and pure‐green color converter.
Generation of the Bessel Beam of Longitudinally Varied Polarization with Dielectric Metasurfaces
Authors: Yang Jingyu , Zhao Ruizhe , Li Yuzhao , Xiong Haoran , Li Yao , Li Xiaowei , Li Junjie , Wang Yongtian , Huang Lingling
Published: March 2023

The beam with longitudinally varied polarization provides a new dimension for polarization applications, such as material processing, longitudinal depth detection, optical communications, etc. A few different methods have so far been investigated, including spatial light modulators and diffractive optical elements. However, these methods have complex optical path, large volume, which are difficult to integrate. Here, a birefringent dielectric metasurface is demonstrated, which is capable of generating Bessel beam whose polarization state continuously rotates along the propagation direction. According to the design, when a linearly polarized light illuminates on the metasurface, the outgoing light becomes linearly polarized zero‐order Bessel beam, whose polarization angle changes as the propagation distance increases. Experimental measurements are successfully carried out. Such scheme may open new doors for potential applications in depth perception, microscopic detection, and so on.
Detection of on‐tree chestnut fruits using deep learning and RGB unmanned aerial vehicle imagery for estimation of yield and fruit load
Authors: Arakawa Takumi , Tanaka Takashi S. T. , Kamio Shinji
Published: March 2023

The on‐tree counting of chestnut fruit (bur) is essential for yield estimation and monitoring of fruit load as well as tree health, which is important in determining the management strategy for orchards, markets, and tree health monitoring. However, the practice is still conducted by manual count or farmers’ intuition. Precise and effective counting method is yet to be established. This study attempted to count chestnut fruits with the object detection algorithm, You Only Look Once (YOLO), using the RGB imagery collected with an unmanned aerial vehicle (UAV). The model trained with 500 images (7866 burs labeled with bounding boxes) in YOLO version 4 (v4) could count the number of burs with a R2 value of 0.98 and a root mean square error of 6.3 (8.3% of the mean) relative to the manual count in the data set for each whole tree (n = 53). The R2 of linear regression between the number of burs obtained with the YOLOv4 model and the total yield was 0.76, with a standard error of 1.08 kg tree−1 (26.4% of coefficient of variation), which was equivalent to the in situ burs count by an expert technician. In addition, the number of burs counted with the YOLOv4 model after the adjustment of trunk circumference was negatively correlated with nut weight. Overall, the study revealed that YOLO algorithm coupled with UAV‐based RGB imagery is a precise and efficient method for on‐tree burs detection, which could be used as an indicator of yield and fruit load.
Protein amyloid aggregate: Structure and function
Authors: Xu Qianhui , Ma Yeyang , Sun Yunpeng , Li Dan , Zhang Xin , Liu Cong
Published: March 2023

Protein amyloid aggregation has been widely observed to occur and plays important roles in both physiological processes and pathological diseases. Remarkably, amyloid aggregates assembled by native proteins gain a variety of different biological activities, which cannot be adopted by the unassembled protein alone. Thus, it is important to investigate the molecular basis of self‐assembly of protein amyloid aggregates and how the aggregated protein structure determines its function. In the review, we firstly introduce our structural knowledge on how different amyloid proteins undergo conformational transition and assemble into amyloid aggregate, with the main focus on amyloid fibril, which is the major species of amyloid aggregate. Then, we elaborate how different structures of amyloid fibrils enable them to fulfill highly diverse functions in either physiological or pathological condition. Furthermore, we discuss the structural polymorph which is a very unique feature of amyloid fibril, and its implication in understanding the structure‐function relationship of amyloid fibrils. Finally, we point out the importance of applying and integrating new approaches for deepening the structure‐function study of amyloid fibrils and highlight the potential of designing amyloid fibril‐based functional bio‐nanomaterials for application.
Ultralong afterglow and unity quantum yield from a transparent CsCdCl3:Mn crystal
Authors: Liu Yeqi , Zhang Xiangzhou , Wang Xiaojia , Yan Shao , Liang Yanjie , Zhang Yuhai
Published: March 2023

Transparent afterglow crystals are keenly desired for three‐dimensional information storage. Herein, CsCdCl3 perovskite crystals were grown by a programmable cooling procedure in a hydrothermal reactor. The pristine crystal showed an abnormal optical behavior where the absorption increased by 2.3 folds at high temperature, leading to a fourfold boost of photoluminescence (PL) intensity. After Mn2+ doping, the PL quantum yield was improved to nearly unity. Importantly, the doped crystals exhibited an ultralong afterglow up to 12 h after ceasing UV excitation and a high transmittance up to 75% in the visible region. This work brought a new member to the library of transparent afterglow crystal, opening up many possibilities to advanced applications such as volumetric display and three‐dimensional information encryption.
H2S absorption with deep eutectic solvents: Low partial pressure capture and thermodynamic analysis
Authors: Wang Bo , Xie Xuhao , Wan Lurui , Zhao Wenbo , Chen Yuan
Published: March 2023

In the present work, a series of deep eutectic solvents (DESs) based on organic amine as hydrogen bond acceptors (HBAs), and ethylene glycol (EG) as hydrogen bond donor (HBD) were prepared for the H2S absorption. Thermal decomposition temperature, HBA mass ratios, alkalinity and structure effect on absorption behavior were systematically investigated. The reaction mechanism was demonstrated by FT‐IR and 1H NMR spectroscopy. The reaction equilibrium constants, Henry constant, enthalpy and entropy change were calculated based on the thermodynamic model to reveal the interactions between DESs and H2S. It was found that H2S absorption capacities of the most of DESs with HBA/HBD mass ratio of 1:4 was close to 1 mol/mol at 303.15 K and 0.2 bar. The absorption capacity of DESs depends on the alkalinity and structure of HBAs; Additionally, a good linear correlation between the alkalinity of HBA and the absorption equilibrium constant (lnK) of DESs to H2S was found.
Suvorexant Acutely Decreases Tau Phosphorylation and Aβ in the Human CNS
Authors: Lucey Brendan P. , Liu Haiyan , Toedebusch Cristina D. , Freund David , Redrick Tiara , Chahin Samir L. , Mawuenyega Kwasi G. , Bollinger James G. , Ovod Vitaliy , Barthélemy Nicolas R. , Bateman Randall J.
Published: March 2023

Objective

In Alzheimer's disease, hyperphosphorylated tau is associated with formation of insoluble paired helical filaments that aggregate as neurofibrillary tau tangles and are associated with neuronal loss and cognitive symptoms. Dual orexin receptor antagonists decrease soluble amyloid‐β levels and amyloid plaques in mouse models overexpressing amyloid‐β, but have not been reported to affect tau phosphorylation. In this randomized controlled trial, we tested the acute effect of suvorexant, a dual orexin receptor antagonist, on amyloid‐β, tau, and phospho‐tau.

Methods

Thirty‐eight cognitively unimpaired participants aged 45 to 65 years were randomized to placebo (N = 13), suvorexant 10 mg (N = 13), and suvorexant 20 mg (N = 12). Six milliliters of cerebrospinal fluid were collected via an indwelling lumbar catheter every 2 hours for 36 hours starting at 20:00. Participants received placebo or suvorexant at 21:00. All samples were processed and measured for multiple forms of amyloid‐β, tau, and phospho‐tau via immunoprecipitation and liquid chromatography‐mass spectrometry.

Results

The ratio of phosphorylated‐tau‐threonine‐181 to unphosphorylated‐tau‐threonine‐181, a measure of phosphorylation at this tau phosphosite, decreased ~10% to 15% in participants treated with suvorexant 20 mg compared to placebo. However, phosphorylation at tau‐serine‐202 and tau‐threonine‐217 were not decreased by suvorexant. Suvorexant decreased amyloid‐β ~10% to 20% compared to placebo starting 5 hours after drug administration.

Interpretation

In this study, suvorexant acutely decreased tau phosphorylation and amyloid‐β concentrations in the central nervous system. Suvorexant is approved by the US Food and Drug Administration to treatment insomnia and may have potential as a repurposed drug for the prevention of Alzheimer's disease, however, future studies with chronic treatment are needed. ANN NEUROL 2023;94:27–40
Improved barrier properties of biodegradable PBAT films for packaging applications using EVOH: Morphology, permeability, biodegradation, and mechanical properties
Authors: Elhamnia Mehdi , Motlagh Ghodratollah Hashemi , Jafari Seyed Hassan
Published: March 2023

Oxygen transmission rate (OTR) and water vapor transmission rate (WVTR) of poly(butylene adipate‐co‐terephthalate) (PBAT) were improved by poly(ethylene‐co‐vinyl alcohol) (EVOH). PBAT/EVOH blends at varying amounts of EVOH were prepared through melt mixing and characterized by OTR, WVTR, SEM, DSC, FTIR, biodegradation in soil, hydrolytic degradation, and tensile tests. EVOH considerably improved the barrier properties of PBAT, example, 77% reduction in OTR and 40% reduction in WVTR at 50 wt% EVOH. Four models of Maxwell, Higuchi, Chiew & Glandt, and Levy were used to evaluate morphology and mechanism of transmission. A high elongation at break of 730% was observed for PBAT/EVOH blends up to 20 wt% EVOH but after that it severely dropped to 350% due to limited compatibility between the two polymers. Limited hydrogen bonding between PBAT and EVOH was observed by FTIR. EVOH accelerated the hydrolytic degradation of PBAT due to its high‐water absorption capacity. This was not observed for biodegradation in soil suggesting that EVOH may retard microbial activity. After 540 h of hydrolytic degradation, the melting point and crystallization temperature of remaining PBAT increased by 5 and 10°C due to more degradation in adipate rubbery domains and less degradation in terephthalate hard segments.
ChatGPTand a new academic reality:Artificial Intelligence‐writtenresearch papers and the ethics of the large language models in scholarly publishing
Authors: Lund Brady D. , Wang Ting , Mannuru Nishith Reddy , Nie Bing , Shimray Somipam , Wang Ziang
Published: March 2023

This article discusses OpenAI's ChatGPT, a generative pre‐trained transformer, which uses natural language processing to fulfill text‐based user requests (i.e., a “chatbot”). The history and principles behind ChatGPT and similar models are discussed. This technology is then discussed in relation to its potential impact on academia and scholarly research and publishing. ChatGPT is seen as a potential model for the automated preparation of essays and other types of scholarly manuscripts. Potential ethical issues that could arise with the emergence of large language models like GPT‐3, the underlying technology behind ChatGPT, and its usage by academics and researchers, are discussed and situated within the context of broader advancements in artificial intelligence, machine learning, and natural language processing for research and scholarly publishing.
A new strategy of transforming an ACQ compound into an AIE theranostic system for bacterial imaging and photodynamic antibacterial therapy
Authors: Xu Lijing , Zhai Jiadai , Han Xue , Shang Wenxue , Chen Mengna , Xu Yanling , Cui Xinyi , Zu Guohao , Sang Feng , Zhang Bin
Published: March 2023

An organic chemical with fluorescence quenching properties [aggregation‐caused quenching (ACQ)] may often be transformed by adding functional groups that cause aggregation‐induced emission (AIE) to its molecular scaffold. Such structural change techniques, however, sometimes require challenging chemical reactions. SF136 is a type of chalcone, and it is an typical ACQ organic compound. In this study, cationic surfactants like hexadecyltrimethylammonium bromide (CTAB) and polyethyleneimine (PEI) were used to convert the ACQ compound SF136 into an AIE compound without adding any AIE structure units. In comparison to SF136, the SF136‐CTAB NPS system not only demonstrated improved bacterial fluorescence imaging capabilities, but also increased photodynamic antibacterial activity, which is connected to its improved targeting and reactive oxygen species (ROS) production abilities. It is a promising theranostic substance against bacteria owing to these enhanced qualities. Other ACQ fluorescent compounds may also benefit from using this approach, broadening the scope of their potential applications.
Quantitative evaluation of brightness of fluorescent nanoparticles usingDNAorigami standards
Authors: Lee Mina , Joo Sihwa , Lee Tae Geol
Published: March 2023

Fluorescent nanoparticles (FNPs) are widely used in various applications owing to their brightness, stability, and biocompatibility. When FNPs are used as probes, the quantities of the targets are estimated from the fluorescence generated by the probes. Information on the brightness of FNPs is thus essential for the reliable analysis of targets; however, accurate methods to measure it have not been established yet. Here, we present a novel method that quantitatively evaluates the brightness of FNPs, using DNA origami as a standard. DNA origami particles labeled with different numbers of fluorophores are imaged, and their brightness is analyzed at the single‐particle level. By comparing with the origami data, the brightness of two commercially available FNPs was determined in terms of the equivalent number of fluorophores (ENF). This method is easy to implement because DNA origami standards with various fluorophores and stoichiometry can be readily prepared.
Effects of processing on the efficacy and metabolites of Cistanche tubulosa using ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry
Authors: Lei Huibo , Xin Jiayun , Lv Yanhui , Chen Wei , Xu Xike , Wang Jinxin , Tian Saisai , Xie Bin , Shen Yunheng , Zu Xianpeng
Published: March 2023

Cistanche tubulosa (CT), a well‐known traditional Chinese medicine, has always been processed with rice wine for the treatment of kidney‐yang deficiency syndrome (KYDS) since time immemorial. To explore the effect of processing on the efficacy and metabolites of CT in vivo, a comprehensive method using ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry was established for the analysis of the altered endogenous metabolites in response to the intervention of the raw and processed CT in KYDS model and the metabolites of the absorbed compounds in rats after gastric perfusion. It was shown that CT could improve KYDS, and the effect of the processed product was more significant. A total of 47 differential metabolites were identified in urine. Pathway analysis proved that purine metabolism; alanine, aspartate, and glutamate metabolism; and citrate cycle were the main pathways. Furthermore, 53 prototypes and 48 metabolites have been detected in rats. This was the first systematic research focus on the metabolites of raw and processed CT in vivo, which could provide a scientific basis for explaining the increasing efficiency of the processed CT. Moreover, it provides a valuable strategy for analyzing the chemical components and metabolites of other TCM prescriptions.
Targeted metabolomics analysis for serum Helicobacter pylori–positive based on liquid chromatography–tandem mass spectrometry
Authors: Wang Jin , Shan Jiaying , Zhang Yaosheng , Shi Yu , Lu Dongdong , Wu Yichao , Guo Xi Ping , Liu Han , Wang Jie , Hu Naidong
Published: March 2023

Helicobacter pylori (H. pylori), as a harmful bacteria associated with gastric cancer, can have adverse effects on human normal flora and metabolism. However, the effects of H. pylori on human metabolism have not been fully elucidated. The 13C breathing test was used as the basis for distinguishing negative and positive groups. Serum samples were collected from the two groups for targeted quantitative metabolomics detection; multidimensional statistics were used, including partial least squares discriminant analysis (PLS‐DA), principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS‐DA), and differential metabolites were screened. Unidimensional statistics combined with multidimensional statistics were used to further screen potential biomarkers, and finally pathway analysis was performed. SPSS 21.0 software package was used for statistical analysis of experimental data. Multivariate statistical analysis such as PLS‐DA, PCA, and OPLS‐DA was performed using Simca‐P 13.0 to search for differential metabolites. This study confirmed that H. pylori caused significant changes in human metabolism. In this experiment, 211 metabolites were detected in the serum of the two groups. Multivariate statistical analysis showed that PCA of metabolites was not significantly different between the two groups. PLS−DA indicated that the serum of the two groups was well clustered. There were significant differences in metabolites between OPLS−DA groups. By setting the variable importance in projection (VIP) threshold as one and the corresponding P−value <0.05, a total of 40 metabolites were screened in this study. P <0.05 and ∣log2FC∣>0 (where FC is the fold change) were used together as a unidimensional statistical filter condition. The analysis found that the expression of 15 metabolites such as propionic acid, acetic acid, adipic acid increased, and the metabolism of six products such as deoxycholic acid (DCA), 4−hydroxyphenylpyruvic acid, pyruvic acid decreased. P <0.05, false discovery rate <0.5, ∣log2FC∣>1, and OPLSDA_VIP>1 were used together as a condition for filter screening potential biomarkers. Four potential biomarkers were screened, which were sebacic acid, isovaleric acid, DCA, and indole−3−carboxylic acid. Finally, the different metabolites were added to the pathway‐associated metabolite sets (SMPDB) library for the corresponding pathway enrichment analysis. The significant abnormal metabolic pathways were taurine and subtaurine metabolism, tyrosine metabolism, glycolysis or gluconeogenesis, pyruvate metabolism, etc. This study shows that H. pylori has an impact on human metabolism. Not only a variety of metabolites have significant changes, but also metabolic pathways are abnormal, which may be the reason for the high risk of H. pylori causing gastric cancer.
Pedagogical principles used by anatomy teachers to facilitate the teaching and learning of anatomy to physiotherapy undergraduates in the United Kingdom
Authors: Gangata Hope , Vigurs Katy
Published: March 2023

The teaching of anatomy for physiotherapy differs from other health professions, and yet there is lack of guidance for the best practice in the literature, especially within the United Kingdom (UK). The present study aimed to provide the most effective pedagogical guidance for teaching a typical anatomy curriculum for a three‐year BSc Physiotherapy degree program within the UK. The research design used a constructivist grounded theory where semi‐structured interviews were conducted with eight registered physiotherapists teaching anatomy to undergraduate physiotherapy students within the UK. The study generated 72,292 words of qualitative data that were thematically analyzed using Saldaña's coding techniques until data saturation was reached. The results had three main components: a pedagogical backdrop composed of five pedagogical issues, pedagogical approaches with its three sub‐components and pedagogical timings of phases of when anatomical teaching was conducted across the three undergraduate physiotherapy degree programs. The cognitive load theory (CLT) best explained the results through five main pedagogical principles: spiral curriculum strategies, visual anatomical imagery, kinesthetic anatomical skills, strategies for teaching clinical physiotherapy anatomy, and using anatomical principles for metacognition. The study proposes a new modified version of CLT which acknowledges that newly acquired knowledge is fragile in novice learners, who have limited long‐term memory capacities, and subsequently require regular revisitations, and also acknowledges kinesthetic input and germane cognitive load metacognition strategies. The study recommends appointing anatomy theme leads to take responsibility for the spiral curriculum approach across the 3 years and to introduce explicit anatomy teaching during the later clinical years.
Brønsted Acid Promoted Facile Synthesis of Benzoacridines from Aromatic Aldehydes and N‐Phenyl Naphthylamines
Authors: Chen Ting , Tan Bin , Huang Zhi , Mao Guojiang , Chen Shanping , Deng Guo‐Jun
Published: March 2023

A facile method for the rapid synthesis of benzoacridines has been described. This protocol promoted by p‐toluenesulfonic acid starts from aromatic aldehydes and N‐phenyl naphthylamines, affording a variety of benzoacridines in 30–90 % yields under metal‐free conditions. The present approach involves a cascade of condensation, Friedel‐Crafts alkylation, annulation and dehydroaromatization in one pot.
Two New Eremophilane‐Type Sesquiterpenoids from Japanese Liverwort Bazzania japonica
Authors: Fukada Ryosuke , Kawano Jin , Tsuruta Tomoki , Nonaka Takuto , Sato Kosuke , Miyajima Susumu , Ishigami Shinnosuke , Ishii Takahiro , Nishikawa Keisuke , Asakawa Yoshinori , Kamada Takashi
Published: March 2023

Two new eremophilane‐type sesquiterpenoids, fusumaols A (1) and B (2), were isolated from the stem‐leafy liverwort, Bazzania japonica collected in Mori‐Machi, Shizuoka, Japan. Their structures were established using extensive spectroscopic (IR, MS, and 2D NMR) data, and the absolute configuration of 1 was determined by the modified Mosher's method. This is the first time eremophilanes have been discovered in the liverwort genus Bazzania. Compounds 1 and 2 were evaluated for their repellent activity against the adult population of the rice weevil Sitophilus zeamais using the modified filter paper impregnation method. Both sesquiterpenoids showed moderate repellent activities.
Investigation of Antimicrobial, Anti‐Quorum Sensing, and Cytotoxic Activities of Flavonoids Isolated from Pulicaria armena Boiss. & Kotschy ex Boiss. (Asteraceae)
Authors: Başpınar Yasemin , Gürbüz Perihan , Dilem Doğan Şengül , Gözde Gündüz Miyase , Aleksic Ivana , Vojnovic Sandra , Nikodinovic‐Runic Jasmina , Yavuz Paksoy Mehmet
Published: March 2023

This is the first report on the separation and biological assessment of all metabolites derived from Pulicaria armena (Asteraceae) which is an endemic species narrowly distributed in the eastern part of Turkey. The phytochemical analysis of P. armena resulted in the identification of one simple phenolic glucoside together with eight flavon and flavonol derivatives whose chemical structures were elucidated by NMR experiments and by the comparison of the spectral data with the relevant literature. The screening of all molecules for their antimicrobial, anti‐quorum sensing, and cytotoxic activities revealed the biological potential of some of the isolated compounds. Additionally, quorum sensing inhibitory activity of quercetagetin 5,7,3’ trimethyl ether was supported by molecular docking studies in the active site of LasR which is the primary regulator of this cell‐to‐cell communication system in bacteria. Lastly, the critical molecular properties indicating drug‐likeness of the compounds isolated from P. armena were predicted. As microbial infections can be a serious problem for cancer patients with compromised immune systems, this comprehensive phytochemical research on P. armena with its anti‐quorum sensing and cytotoxic compounds can provide a new approach to the treatment.
Take Advantage of the N‐Nucleophilicity of Imine in Catalytic Cyclization Reactions
Authors: Wang Linqing , Yang Dongxu
Published: March 2023

Imines, or Schiff bases are basic and important synthons in modern chemical synthesis, which are widely used in methodological studies, synthesis of natural products or pharmaceutical agents, construction of organic porous materials and relative late‐stage modifications. In most cases, the imines often act as “electrophilic reagents” in reactions on the basis of their C‐electrophilicity owing to the dipole effect of the C=N bond. However, on the other hand, reactions initiated by the N‐nucleophilicity of imine, draw relatively less attentions. In this concept article, we try to give a concise summary of the reactions, especially the cyclization reaction that are initiated by the N‐nucleophilicity of imine. The basic measurement data and discussions of the N‐nucleophilicity of different imines, relative possible mechanisms, catalytic strategies, and reaction types in this context are briefly discussed. We hope the imines, as one of the basic chemical synthons in organic synthesis, will be utilized in broader scope in the future by taking advantage of their N‐nucleophilicity.
Identifying the relationships between subsurface absorber defects and the characteristics of kesterite solar cells
Authors: Son Dae‐Ho , Jeon Dong‐Hwan , Kim Dae‐Hwan , Kang Jin‐Kyu , Sung Shi‐Joon , Lee Jaebaek , Lee Taeseon , Enkhbayar Enkhjargal , Kim JunHo , Yang Kee‐Jeong
Published: March 2023

Understanding the defect characteristics that occur near the space‐charge regions (SCRs) of kesterite (CZTSSe) solar cells is important because the recombination loss at the CZTSSe/CdS interface is considered the main cause of their low efficiency. CZTSSe surfaces with different elemental compositions were formed without polishing (C00) and with polishing for 20 s (C20) and 60 s (C60). For C60, a specific region near the SCR was excessively Cu‐rich and Zn‐poor compared to C00 and C20. Various charged defects formed where the elemental variation was large. As the main deep acceptor defect energy level (Ea2) near the SCR increased, the efficiency, open‐circuit voltage deficit, and current density degraded, and this phenomenon was especially rapid for large Ea2 values. As the Ea2 near the SCR became deep, the carrier diffusion length decreased more for the CZTSSe solar cells with a low carrier mobility than for the CuInGaSe2 (CIGSe) solar cells. The large amplitude of the electrostatic potential fluctuation in the CZTSSe solar cells induced a high carrier recombination and a short carrier lifetime. Consequently, the properties of the CZTSSe solar cells were more strongly degraded by defects with deep energy levels near the SCR than those of the CIGSe solar cells.
Simulation workflows to predict the circular dichroism and circularly polarized luminescence of chiral materials
Authors: Fortino Mariagrazia , Schifino Gioacchino , Pietropaolo Adriana
Published: March 2023

Chiral materials are attracting considerable interest in various fields in view of their unique properties and optical activity. Indeed, the peculiar features of chiral materials to absorb and emit circularly polarized light enable their use in an extensive range of applications. Motivated by the interest in boosting the development of chiral materials characterized by enhanced chiroptical properties such as circular dichroism (CD) and circular polarized luminescence (CPL), we herein illustrate in this tutorial how theoretical simulations can be used for the predictions and interpretations of chiroptical data and for the identification of chiral geometries. We are focusing on computational frameworks that can be used to investigate the theoretical aspects of chiral materials' photophysical and conformational characteristics. We will then illustrate ab initio methods based on density functional theory (DFT) and its time‐dependent extension (TD‐DFT) to simulate CD and CPL signals, and we will exemplify a variety of enhanced sampling techniques useful for an adequate sampling of the configurational space for chiral systems.
UChOA‐ANN based effective diagnostic model for early detection and accurate prediction of dengue affected blood samples
Authors: Ramakrishna Malige Mahadevaiah , Karthikeyan Vedanandam
Published: March 2023

Dengue virus infection is one of the major worldwide health issues and a substantial epidemic infectious human disease. More than 2 billion humans live in dengue susceptible regions with an annual infection mortality rate is about 5%–20%. At the initial stages, it is difficult to differentiate dengue fever symptoms from other similar diseases. Therefore, early diagnosis of dengue disease can help in protecting human lives by making a preventive move before it turns into an infectious disease. Although early detection is critical to reducing dengue disease deaths, accurate dengue diagnosis requires a long time due to the numerous clinical examinations. For this, several techniques have been presented. But, the accuracy of these methods is not enough. Thus, this issue necessitates the development of a new diagnostic schema. Hence, to identify the dengue‐affected blood samples effectively, Updated Chimp Optimization Algorithm‐Artificial Neural Network (UChOA‐ANN) based diagnostic model is proposed in this paper. UChOA‐ANN‐based diagnostic model has been implemented and validated for the early detection and accurate prediction of dengue disease. Here, to improve the performance of ANN, UChOA is used for selecting the weight parameters of ANN optimally. The results show that the proposed diagnostic model has achieved maximum sensitivity, specificity, and accuracy at 92%, 96%, and 94%, respectively. In addition, the results reveal that the proposed diagnostic model has outperformed other methods for detecting dengue‐affected blood samples in terms of sensitivity, specificity, accuracy, PPV, NPV, FPR, FNR, and FDR. Our proposed diagnostic model has been capable to diagnose dengue in assisting doctors in its early stage with high accuracy.
Effect of xylitol on Porphyromonas gingivalis: A systematic review
Authors: Chen Sau You , Delacruz Joshua , Kim Yong , Kingston Roger , Purvis Laura , Sharma Dileep
Published: March 2023

Objective

This review was conducted to assess the effectiveness of xylitol against Porphyromonas gingivalis anaerobic species, a key microbe contributing to periodontal disease pathogenesis.

Material and Methods

Relevant studies published on seven online databases (Cochrane, Ovid, Pubmed, Pubmed Central, Scopus, Google Scholar, and Web of Science) were included in accordance with the PRISMA guidelines. Inclusion criteria allowed all study designs involving xylitol and P. gingivalis, literature published since the year 2000, and all xylitol delivery forms.

Results

The initial search yielded 186 papers. After the removal of duplicates, five reviewers screened every article for eligibility and seven articles were selected for data extraction. Four out of seven included studies assessed the dose‐dependent effect of xylitol on P. gingivalis growth, two studies assessed the effect of xylitol on P. gingivalis‐induced cytokine expression, and one study assessed both domains.

Conclusions

From the in vitro studies included in this systematic review, there is some evidence of xylitol's inhibitory effect on P. gingivalis. However, more evidence derived from in vivo studies is required to confirm its effectiveness warranting their routine use.
Electric locomotive electrical control training based on virtual reality technology
Authors: Xiao Qian , Li ZhuoHang , Shi KaiZhi , Gao XueShan
Published: March 2023

The recent rapid development of the computer‐aided design technologies has provided concrete support for the education and research in the field of railway transportation. Virtual reality (VR) technology is becoming particularly important in the field of experimental teaching due to its low cost, low restriction and immersion. In this work, we have designed a virtual simulation untried system of the electric joint control in electric locomotives based on VR technology. Based on the user's understanding of the three circuit principles in the experiment, together with the recognition and operation ability to control appliances and equipment, the system assessment system has been scored and evaluated accordingly. The tests of the virtual simulation system have shown the experimental teaching can reduce the cost while effectively improving the learning effect.
Seismic design and performance study of self‐centering moment‐resisting frames with sliding rocking beams and preloaded disc springs
Authors: Rezvan Pooya , Zhang Yunfeng
Published: March 2023

This paper focuses on the seismic analysis and performance assessment of the self‐centering moment‐resisting frames with sliding rocking beams (SCMRF‐SRB) through a nonlinear numerical simulation study. In the SCMRF‐SRB systems, the beam is comprised of three segments with the rocking beam placed in the middle segment. The beam growth (expansion) problem due to the gap‐opening in the rocking joint is counteracted by the sliding movement of the rocking beam inside the beam brackets. The restoring force of such SCMRF‐SRBs is generated by two sets of preloaded disc springs mounted on each side of the web of the beam and the energy dissipation is provided by replaceable hysteretic dampers (RHD). The relative movement of the rocking beam inside the brackets generates a friction force that contributes to the energy dissipation capacity and strength of the system based on prior experimental observations. Load vs. displacement relationships of an SCMRF‐SRB modular structure were formulated and verified with nonlinear finite element analysis results. A three‐story building located in downtown Seattle was designed and its seismic performance was studied through nonlinear static and dynamic analyses. According to the results of the nonlinear dynamic analyses, the prototype structure met the expected performance criteria in terms of inter‐story drift ratio (IDR), re‐centering behavior, and responses of the frame member at design basis earthquake (DBE). In different parametric studies, the effect of the length and location of the rocking beam on the seismic performance of the prototype structure was investigated. Moreover, the effects of the energy dissipation capacity and post‐yielding stiffness on the structural responses of the prototype buildings were studied. It was also shown that an SCMRF‐SRB structure with a large energy dissipation ratio of up to 90% can be utilized without adversely affecting the self‐centering performance of the system.
The Effects of Nickel and Copper on Tropical Marine and Freshwater Microalgae Using Single and Multispecies Tests
Authors: McKnight Kitty S. , Gissi Francesca , Adams Merrin S. , Stone Sarah , Jolley Dianne , Stauber Jenny
Published: March 2023

Microalgae are key components of aquatic food chains and are known to be sensitive to a range of contaminants. Much of the available data on metal toxicity to microalgae have been derived from temperate single-species tests with temperate data used to supplement tropical toxicity data sets to derive guideline values. In the present study, we used single-species and multispecies tests to investigate the toxicity of nickel and copper to tropical freshwater and marine microalgae, including the free-swimming stage of Symbiodinium sp., a worldwide coral endosymbiont. Based on the 10% effect concentration (EC10) for growth rate, copper was two to four times more toxic than nickel to all species tested. The temperate strain of Ceratoneis closterium was eight to 10 times more sensitive to nickel than the two tropical strains. Freshwater Monoraphidium arcuatum was less sensitive to copper and nickel in the multispecies tests compared with the single-species tests (EC10 values increasing from 0.45 to 1.4 µg Cu/L and from 62 to 330 µg Ni/L). The Symbiodinium sp. was sensitive to copper (EC10 of 3.1 µg Cu/L) and less sensitive to nickel (EC50 >1600 µg Ni/L). This is an important contribution of data on the chronic toxicity of nickel to Symbiodinium sp. A key result from the present study was that three microalgal species had EC10 values below the current copper water quality guideline value for 95% species protection in slightly to moderately disturbed systems in Australia and New Zealand, indicating that they may not be adequately protected by the current copper guideline value. By contrast, toxicity of nickel to microalgae is unlikely to occur at exposure concentrations typically found in fresh and marine waters. Environ Toxicol Chem 2023;42:901–913. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Response surface methodology for optimization of enzymatic acylation of (R)‐(‒)‐linalool application to essential oils
Authors: Naouel Chaibrassou , Saoussen Zeror , Mounia Merabet‐Khelassi , Samira Kilani‐Morakchi , Karima Sifi
Published: March 2023

The essential oils of Lavender (Lavandula angustifolia) and Tropical Basil (Ocimum basilicum) are characteristically high in both linalool and linalyl acetate esters, key constituents determining essential oil (EO) quality and activity. The enrichment of these products in linalyl acetate has a great interest in the industry. Herein, we report the production of linalyl acetate using the free lipase PPL as a catalyst in a solvent‐free medium. Parametric studies referring response surface methodology (RSM) were applied to optimize the conversion. The optimal experimental condition for (R)‐linalool acylation (temperature at 60°C, catalyst amount at 150 mg, volume of acetic anhydride at 1 mL, and reaction time at 5 days) was obtained from an experimental design analysis. Under these conditions, the enzymatic acylation was carried out for both pure linalool, Lavandula angustifolia and O. basilicum essential oils as substrates. 24.94% conversion of pure linalool to linalyl acetate was obtained; however, essential oils gave lower conversions (conv = 13%).
Building Clean Energy Infrastructure Not So Easy
Authors: DeCotis Paul A.
Published: March 2023

Siting clean energy infrastructure including renewable and distributed energy resources (DERs), and transmission and distribution (T&D) grid enhancements is challenging at best. Public policy objectives to deliver zero‐ to low‐carbon energy requires significant capital investment by many market participants and a great deal of time. For example, constructing large, interstate long distance electric transmission lines can take years to complete—sometimes eight to 12 years from concept to in‐service. Whether overhead or underground, transmission lines crossing multiple regulatory jurisdictions or states can take upward of 15 to 20 years. And undergrounding can cost nearly ten times as much as constructing overhead transmission. Planning for the decarbonized electric grid of the future currently preoccupying regulators, lawmakers and policymakers requires sophisticated analysis of the costs and benefits of energy infrastructure investments and deliberate action. Trade‐offs will always be required and there will be winners and losers and some economic dislocation as there is no perfect solution to decarbonizing economies.
Characteristics of people seeking consultation after progressing to severe dementia: A mixed‐method analysis
Authors: Yamashita Mari , Kato Mai , Kawanishi Tomoya , Uehara Yoshiko , Kubota Yuko , Ogisawa Fumiko , Kawakubo Kiyo , Taga Tsutomu , Okamura Tsuyoshi , Ito Kae , Kitamura Shin , Yamazaki Akiko
Published: March 2023

Objectives

This explores the characteristics of patients with worsening dementia who did not receive a specialized medical examination or care.

Methods

This study utilized a mixed methods analysis. Of the 2712 people who received the Mini Mental State of Examination (MMSE) at the Community Consultation Center for Citizens with MCI and Dementia between December 2007 and December 2019, 1413 people who scored 23 points or less were included. Participants were categorized into mild, moderate, and severe groups, based on their MMSE scores. Participants' characteristics—gender, age, presence or absence of an escort, demographics, family type, and presence or absence of a family doctor—were compared between the groups. To further understand the severe group's characteristics, clinical psychologists recorded consultation forms were categorized.

Results

More than 80% of the patients in each group had a family doctor. Moreover, all the severe groups had escorts, and the role of family members and supporters was important for the consultation. In the severe group, 29 patients had never received specialized medical care. Their characteristics were coded “non‐existence” (fewer people or opportunities to notice their needs), “connection failure” (a lack of access or connections to consultations), and “evaluation failure” (not recognized as a problem requiring consultation).

Conclusions

It is necessary to improve primary physician education, disseminate knowledge, and raise awareness about dementia, besides building and strengthening networks to alleviate the isolation of dementia patients and their families. The psychological aspects of family members' denial regarding their family members with dementia must be addressed through intervention.
Cerebellar and subcortical atrophy contribute to psychiatric symptoms in frontotemporal dementia
Authors: Bussy Aurélie , Levy Jake P. , Best Tristin , Patel Raihaan , Cupo Lani , Van Langenhove Tim , Nielsen Jørgen E. , Pijnenburg Yolande , Waldö Maria Landqvist , Remes Anne M. , Schroeter Matthias L. , Santana Isabel , Pasquier Florence , Otto Markus , Danek Adrian , Levin Johannes , Le Ber Isabelle , Vandenberghe Rik , Synofzik Matthis , Moreno Fermin , de Mendonça Alexandre , Sanchez‐Valle Raquel , Laforce Robert , Langheinrich Tobias , Gerhard Alexander , Graff Caroline , Butler Chris R. , Sorbi Sandro , Jiskoot Lize , Seelaar Harro , van Swieten John C. , Finger Elizabeth , Tartaglia Maria Carmela , Masellis Mario , Tiraboschi Pietro , Galimberti Daniela , Borroni Barbara , Rowe James B. , Bocchetta Martina , Rohrer Jonathan D. , Devenyi Gabriel A. , Chakravarty M. Mallar , Ducharme Simon ,   GENetic Frontotemporal dementia Initiative (GENFI)
Published: March 2023

Recent studies have reported early cerebellar and subcortical impact in the disease progression of genetic frontotemporal dementia (FTD) due to microtubule‐associated protein tau (MAPT), progranulin (GRN) and chromosome 9 open reading frame 72 (C9orf72). However, the cerebello‐subcortical circuitry in FTD has been understudied despite its essential role in cognition and behaviors related to FTD symptomatology. The present study aims to investigate the association between cerebellar and subcortical atrophy, and neuropsychiatric symptoms across genetic mutations. Our study included 983 participants from the Genetic Frontotemporal dementia Initiative including mutation carriers and noncarrier first‐degree relatives of known symptomatic carriers. Voxel‐wise analysis of the thalamus, striatum, globus pallidus, amygdala, and the cerebellum was performed, and partial least squares analyses (PLS) were used to link morphometry and behavior. In presymptomatic C9orf72 expansion carriers, thalamic atrophy was found compared to noncarriers, suggesting the importance of this structure in FTD prodromes. PLS analyses demonstrated that the cerebello‐subcortical circuitry is related to neuropsychiatric symptoms, with significant overlap in brain/behavior patterns, but also specificity for each genetic mutation group. The largest differences were in the cerebellar atrophy (larger extent in C9orf72 expansion group) and more prominent amygdalar volume reduction in the MAPT group. Brain scores in the C9orf72 expansion carriers and MAPT carriers demonstrated covariation patterns concordant with atrophy patterns detectable up to 20 years before expected symptom onset. Overall, these results demonstrated the important role of the subcortical structures in genetic FTD symptom expression, particularly the cerebellum in C9orf72 and the amygdala in MAPT carriers.
Trajectories of brain volumes in young children are associated with maternal education
Authors: Zhu Changbo , Chen Yaqing , Müller Hans‐Georg , Wang Jane‐Ling , O'Muircheartaigh Jonathan , Bruchhage Muriel , Deoni Sean
Published: March 2023

Brain growth in early childhood is reflected in the evolution of proportional cerebrospinal fluid volumes (pCSF), grey matter (pGM), and white matter (pWM). We study brain development as reflected in the relative fractions of these three tissues for a cohort of 388 children that were longitudinally followed between the ages of 18 and 96 months. We introduce statistical methodology (Riemannian Principal Analysis through Conditional Expectation, RPACE) that addresses major challenges that are of general interest for the analysis of longitudinal neuroimaging data, including the sparsity of the longitudinal observations over time and the compositional structure of the relative brain volumes. Applying the RPACE methodology, we find that longitudinal growth as reflected by tissue composition differs significantly for children of mothers with higher and lower maternal education levels.