bluuebunny/crossref_metadata_2025 huggingface dataset:
Precision comparison of two 3-DoF translational parallel manipulators based on the orientation errors due to joint clearances
Authors: Chouaibi Y. , Chebbi A.H. , Affi Z. , Romdhane L.
Published: May 2022

This paper presents a comparative study of two translational parallel manipulators (TPMs) with three Degrees of Freedom (3-DOF) based on the orientation errors due to joint clearances. In fact, the kinematic and static models of the manipulators have been used to determine the analytical model of the orientation errors. Then, the maximum and the sensitivity of the orientation errors have been considered as criteria to compare the precision of the DELTA and the RAF manipulators. The maximum orientation error is determined by solving an optimization problem of the previous analytical model. The sensitivity of the orientation errors is divided into two types: one related to the sensitivity of the orientation errors to the geometric parameters and another one related to the sensitivity of the orientation error to the joint clearances. The results show that the RAF robot precision is more sensitive to the joint clearances than the DELTA one. However, this advantage of the DELTA is limited to a portion of the workspace, which is free from singular configurations.
Environnement résidentiel et vieillissement en santé : le rôle de l’activité physique et de la participation sociale
Authors: Patte Marion , Chaix Basile , Gerber Philippe , Klein Olivier , Perchoux Camille , Vallée Julie
Published: May 2022

Le vieillissement démographique est un des défis majeurs du 21e siècle. Il pose directement la question du « vieillissement en santé », un processus aidant les personnes âgées à rester en bonne santé et indépendantes le plus longtemps possible. L’influence des facteurs environnementaux sur ce processus peut varier selon les individus et leurs comportements. L’enchevêtrement de ces facteurs représente un défi autant théorique que méthodologique. Cet article a pour objectifs i) de quantifier les associations entre l’environnement physique et social du quartier des personnes âgées et leur vieillissement en santé et ii) d’examiner si leur activité physique et leur participation sociale jouent un rôle de médiation dans ces associations. Si certaines caractéristiques du quartier relatives à la réputation, l’accès aux services, et la cohésion sociale sont associées au vieillissement en santé, il existe un soutien limité à l’idée que les comportements tiennent un rôle d’intermédiaire dans cette relation.
The Factorial Structure of Stigma and Its Targets
Authors: Oaten Megan , Stevenson Richard J. , Occhipinti Stefano , Tapp Caley , Case Trevor I.
Published: May 2022

Abstract. We aimed to determine (1) the attributes of multiple stigmatized populations, (2) whether Kurzban and Leary’s (2001) functional typology of stigma emerges and identifies the dimensions upon which each stigma type differs, and (3) the emotional responses toward emergent stigma types. Participants ( N = 2,674) were assigned to 1/52 stigma target conditions and their attitudes surveyed. Data were analyzed by multilevel factor analysis with stigma targets at Level 2. There were five within-factors at Level 1 (social competence, interpersonal access, social inclusion, immorality, perceived permanence) and three between-factors at Level 2 (interpersonal stigmatization, morality-based stigmatization, chronic stigmatization). Interpersonal stigmatization was predicted by disgust and pity, and morality-based stigmatization was predicted by disgust and [-]happiness, with no predictors for chronic stigmatization. These results support a functional typology of stigma.
The Role of Freshwater Forcing on Surface Predictability in the Gulf of Mexico
Authors: Sun Daoxun , Bracco Annalisa , Liu Guangpeng
Published: May 2022

The potential predictability of fields at the ocean surface in the northern Gulf of Mexico (GoM) is investigated through five ensembles of regional ocean simulations between 2014 and 2016. The ensembles explore two horizontal resolutions and different representations of the riverine inflow, and focus on the interactions between the Loop Current system (LCS) and the riverine system. The potential predictability of the surface fields is high when simulated by an ocean‐only model forced by appropriate atmospheric forcing and boundary conditions, and the ensembles simulate similar LCS behavior up to 5 months. The ensemble spread provides a mean to quantify the potential predictability. The ensembles confirm that LCS‐riverine interactions are modulated by the LC mesoscale variability. The relationship is two‐ways, with the LCS being influenced by—And not only influencing—The freshwater plume. Whenever the freshwater flux is strong, the northward extension of the LCS is constrained by the intensified salinity fronts. This influence is slightly stronger if the riverine inflow is simulated in an active fashion with a meridional velocity component proportional to the flux. Sea surface temperature (SST) and salinity (SSS) predictability have opposite seasonality in their signal, with the SST (SSS) being more predictable in summer (winter). Partially resolving submesoscale instabilities and improving the realism of the riverine fluxes’ representation causes the spread to increase, especially in SST. When increasing resolution, the spread increases also for surface vorticity due to feedbacks between the mesoscale and submesoscale circulations. The intraseasonal and interannual signal in vorticity is however similar among ensembles.
Effects of Cloud Microphysics on the Universal Performance of Neural Network Radiation Scheme
Authors: Song Hwan‐Jin , Kim Park Sa
Published: May 2022

Understanding the effect of cloud microphysical changes on the stability of radiation emulator is essential in an operational weather forecasting model with frequent updates. This study examined the effect of 15 microphysics schemes on a radiation emulator for real and ideal cases. In the real case, although the forecast errors against the control run increased with varying microphysics schemes to the trained scheme, the forecast error of 2‐m temperature was rather improved by 0.9%–5.4% when compared with observations. The radiation emulator for the real case was applied to an ideal squall‐line simulation to test its universal application, resulting in increase of 8.6%–41.3% more forecast errors in heating rates and fluxes for 14 microphysics schemes more than the trained scheme. These errors could be reduced by 26.5%–50.4% with the use of a compound parameterization. Therefore, the stability and accuracy of radiation emulator on microphysics changes was confirmed.
Hydroacoustic Travel Time Variations as a Proxy for Passive Deep‐Ocean Thermometry—A Cookbook
Authors: Smets P. S. M. , Weemstra C. , Evers L. G.
Published: May 2022

We report on the extraction of deep ocean travel time variations from time‐lapse cross‐correlations between a hydrophone station and a three‐component broadband seismometer. The signals we cross‐correlate in this study result from repeated activity by the Monowai seamount, one of the most active submarine volcanoes of the Tonga‐Kermadec ridge. In particular, we introduce a specific workflow to exploit repetitive hydroacoustic underwater source activity, which we detail to such an extent that it serves as an example (or “cookbook”). For this reason, we have made the source code publicly available. The workflow proposed in this study (a) overcomes differences in instrument sensitivity and sample rates, (b) involves the selection of eligible cross‐correlations based on a source activity criterium as well as slowness analysis, and (c) extracts the travel time variations in distinct frequency bands. In our case, the two frequency bands are 3–6  and 6–12 Hz. We find that the estimated travel time variations in both frequency bands consist of a complex periodic pattern superimposed on a robust linear trend. This linear trend is decreasing, which we attribute to increasing water temperatures along the propagation path of the hydroacoustic signals.
Stage IV colon cancer patients without DENND2D expression benefit more from neoadjuvant chemotherapy
Authors: Ma Wen-juan , Chen Yukun , Peng Jian-hong , Tang Chaoming , Zhang Ling , Liu Min , Hu Shanshan , Xu Haineng , Tan Hua , Gu Yangkui , Pan Zhi-zhong , Chen Gong , Zhou Zhong-guo , Zhang Rong-xin
Published: May 2022

According to the EPOC study, chemotherapy could improve 5-year disease-free survival of stage IV colon cancer patients by 8.1%. However, more molecular biomarkers are required to identify patients who need neoadjuvant chemotherapy. DENND2D expression was evaluated by immunohistochemistry in 181 stage IV colon cancer patients. The prognosis was better for patients with DENND2D expression than patients without DENND2D expression (5-year overall survival [OS]: 42% vs. 12%, p = 0.038; 5-year disease-free survival: 20% vs. 10%, p = 0.001). Subgroup analysis of the DENND2D-negative group showed that patients treated with neoadjuvant chemotherapy achieved longer OS than patients without neoadjuvant chemotherapy (RR = 0.179; 95% CI = 0.054–0.598; p = 0.003). DENND2D suppressed CRC proliferation in vitro and in vivo. Downregulation of DENND2D also promoted metastasis to distant organs in vivo. Mechanistically, DENND2D suppressed the MAPK pathway in CRC. Colon cancer patients who were DENND2D negative always showed a worse prognosis and were more likely to benefit from neoadjuvant chemotherapy. DENND2D may be a new prognostic factor and a predictor of the need for neoadjuvant chemotherapy in stage IV colon cancer.
Neurotransmitter phenotype switching by spinal excitatory interneurons regulates locomotor recovery after spinal cord injury
Authors: Bertels Hannah , Vicente-Ortiz Guillem , El Kanbi Khadija , Takeoka Aya
Published: May 2022

Severe spinal cord injury in adults leads to irreversible paralysis below the lesion. However, adult rodents that received a complete thoracic lesion just after birth demonstrate proficient hindlimb locomotion without input from the brain. How the spinal cord achieves such striking plasticity remains unknown. In this study, we found that adult spinal cord injury prompts neurotransmitter switching of spatially defined excitatory interneurons to an inhibitory phenotype, promoting inhibition at synapses contacting motor neurons. In contrast, neonatal spinal cord injury maintains the excitatory phenotype of glutamatergic interneurons and causes synaptic sprouting to facilitate excitation. Furthermore, genetic manipulation to mimic the inhibitory phenotype observed in excitatory interneurons after adult spinal cord injury abrogates autonomous locomotor functionality in neonatally injured mice. In comparison, attenuating this inhibitory phenotype improves locomotor capacity after adult injury. Together, these data demonstrate that neurotransmitter phenotype of defined excitatory interneurons steers locomotor recovery after spinal cord injury.
PlantMWpIDB: a database for the molecular weight and isoelectric points of the plant proteomes
Authors: Mohanta Tapan Kumar , Kamran Muhammad Shahzad , Omar Muhammad , Anwar Waheed , Choi Gyu Sang
Published: May 2022

The molecular weight and isoelectric point of the proteins are very important parameters that control their subcellular localization and subsequent function. Although the genome sequence data of the plant kingdom improved enormously, the proteomic details have been poorly elaborated. Therefore, we have calculated the molecular weight and isoelectric point of the plant proteins and reported them in this database. A database, PlantMWpIDB, containing protein data from 342 plant proteomes was created to provide information on plant proteomes for hypothesis formulation in basic research and for biotechnological applications. The Molecular weight and isoelectric point (pI) are important molecular parameters of proteins that are useful when conducting protein studies involving 2D gel electrophoresis, liquid chromatography-mass spectrometry, and X-ray protein crystallography. PlantMWpIDB provides an easy-to-use and efficient interface for search options and generates a summary of basic protein parameters. The database represents a virtual 2D proteome map of plants, and the molecular weight and pI of a protein can be obtained by searching on the name of a protein, a keyword, or by a list of accession numbers. The PlantMWpIDB database also allows one to query protein sequences. The database can be found in the following link https://plantmwpidb.com/. The individual 2D virtual proteome map of the plant kingdom will enable us to understand the proteome diversity between different species. Further, the molecular weight and isoelectric point of individual proteins can enable us to understand their functional significance in different species.
Application of direct peptide reactivity assay for assessing the skin sensitization potential of essential oils
Authors: Omeragic Elma , Dedic Mirza , Elezovic Alisa , Becic Ervina , Imamovic Belma , Kladar Nebojsa , Niksic Haris
Published: May 2022

Plant-derived products are frequently found as ingredients in cosmetics. However, the current data show non-neglectable skin sensitizing potential of these preparations suggesting an urgent need for data regarding their health safety profile. The aim of this study was to assess the skin sensitization potential of commercial essential oils by selected Lamiaceae species (Lavandula angustifolia, Melissa officinalis, Mentha longifolia, Thymus vulgaris, Salvia officinalis, and Rosmarinus officinalis) using a chemistry-based Direct Peptide Reactivity Assay (DPRA) in order to predict their potential allergic properties. In the DPRA assay, nucleophile-containing synthetic peptides (cysteine peptide and lysine peptide) were incubated with the test substance for 24 h. Depletion of the peptide in the reaction mixture was measured by high-pressure liquid chromatography (HPLC) using UV detection and the average peptide depletion data for cysteine and lysine was then calculated. Menthae longifoliae aetheroleum showed no or minimal reactivity with 4.48% cysteine depletion, Rosmarini aetheroleum and Salviae aetheroleum showed low reactivity with the 12.79% and 15.34% of cysteine depletion, respectively, while the other analyzed essential oils showed moderate reactivity with the cysteine depletion between 23.21 and 48.43%. According to DPRA predictive analysis, only Menthae longifoliae aetheroleum can be classified as negative, while all other essential oils may be classified as positive, thus having the potential to cause skin sensitization.
Irisin protects cardiomyocytes against hypoxia/reoxygenation injury via attenuating AMPK mediated endoplasmic reticulum stress
Authors: Yue Rongchuan , Lv Mingming , Lan Meide , Zheng Zaiyong , Tan Xin , Zhao Xuemei , Zhang Yulong , Pu Jun , Xu Lei , Hu Houxiang
Published: May 2022

Endoplasmic reticulum (ER) stress plays a central role in myocardial ischemia/reperfusion (I/R) injury. Irisin has been reported to have protective properties in ischemia disease. In this study, we aimed at investigating whether irisin could alleviate myocardial I/R injury by ER stress attenuation. The in vitro model of hypoxia/reoxygenation (H/R) was established, which resembles I/R in vivo. Cell viability and apoptosis were estimated. Expressions of cleaved caspase-3, cytochrome c, GRP78, pAMPK, CHOP, and eIF2α were assessed by western blot. Our results revealed that pre-treatment with irisin significantly decreased cytochrome c release from mitochondria and caspase-3 activation caused by H/R. Irsin also reduced apoptosis and increased cell viability. These effects were abolished by AMPK inhibitor compound C pre-treatment. Also, GRP78 and CHOP expressions were up-regulated in the H/R group compared to the control group; however, irisin attenuated their expression. The pAMPK level was significantly decreased compared to the control, and this effect could be partly reversed by metformin pre-treatment. These results suggest that ER stress is associated with cell viability decreasing and cardiomyocytes apoptosis induced by H/R. Irisin could efficiently protect cardiomyocytes from H/R-injury via attenuating ER stress and ER stress-induced apoptosis.
Multicommodity routing optimization for engineering networks
Authors: Lonardi Alessandro , Putti Mario , De Bacco Caterina
Published: May 2022

Optimizing passengers routes is crucial to design efficient transportation networks. Recent results show that optimal transport provides an efficient alternative to standard optimization methods. However, it is not yet clear if this formalism has empirical validity on engineering networks. We address this issue by considering different response functions—quantities determining the interaction between passengers—in the dynamics implementing the optimal transport formulation. Particularly, we couple passengers’ fluxes by taking their sum or the sum of their squares. The first choice naturally reflects edges occupancy in transportation networks, however the second guarantees convergence to an optimal configuration of flows. Both modeling choices are applied to the Paris metro. We measure the extent of traffic bottlenecks and infrastructure resilience to node removal, showing that the two settings are equivalent in the congested transport regime, but different in the branched one. In the latter, the two formulations differ on how fluxes are distributed, with one function favoring routes consolidation, thus potentially being prone to generate traffic overload. Additionally, we compare our method to Dijkstra’s algorithm to show its capacity to efficiently recover shortest-path-like graphs. Finally, we observe that optimal transport networks lie in the Pareto front drawn by the energy dissipated by passengers, and the cost to build the infrastructure.
ROCK 1 and 2 affect the spatial architecture of 3D spheroids derived from human corneal stromal fibroblasts in different manners
Authors: Ida Yosuke , Umetsu Araya , Furuhashi Masato , Watanabe Megumi , Tsugeno Yuri , Suzuki Soma , Hikage Fumihito , Ohguro Hiroshi
Published: May 2022

The objective of the current study was to examine the roles of ROCK1 and 2 on the spatial architecture of human corneal stroma. We examined the effects of a pan-ROCK inhibitor (pan-ROCK-i), ripasudil, and a ROCK2 inhibitor (ROCK2-i), KD025 on the expression of genes that encode for ECM proteins including collagen (COL) 1, 4, 6, and fibronectin (FN), their regulators, a tissue inhibitor of metalloproteinase (TIMP) 1–4, matrix metalloproteinase (MMP) 2, 9 and 14, and ER stress-related factors of two- and three-dimensional (2D and 3D) cultures of human corneal stroma fibroblasts (HCSFs), and the physical properties of 3D HCSF spheroids. A gene expression analysis using ROCK-is indicated that KD025 (ROCK2 selective ROCK inhibitor) induced more significant changes than Rip (ripasudil, pan-ROCK inhibitor), suggesting that ROCK2 might be more extensively involved in the metabolism of ECM proteins and cell architectures of the 2D cultured HCSFs than ROCK1. In terms of the physical properties, size and stiffness of the 3D HCSFs spheroids, Rip caused a significant enlargement and this enhancement was concentration-dependent while KD025 also exerted a similar but less pronounced effect. In contrast, Rip and KD025 modulated physical stiffness differently, in that Rip caused a substantial decrease and KD025 caused an increase. Such diverse effects between Rip and KD025 were also observed for the gene expressions of ECM proteins, their regulators, and ER-stress related factors. The findings presented herein suggest that the ROCK1 and 2 influence the spatial architecture of 3D HCFS spheroids in different manners.
Association between physical activity and dynapenia in older adults with COPD: a nationwide survey
Authors: Choi Young-Ah , Lee Jung Soo , Kim Yeo Hyung
Published: May 2022

We aimed to examine the association between physical activity (PA) level and dynapenia in older adults with chronic obstructive pulmonary disease (COPD), and whether it varied with sex and obesity status. The current cross-sectional study included total of 1033 community-dwelling participants with COPD aged 65–79 from the Korean National Health and Nutrition Examination Survey. In the multivariable model, high and moderate PA levels were significantly associated with lower odds of dynapenia than low PA levels (high PA level: odds ratio [OR] = 0.26, 95% confidence interval [CI] = 0.09–0.74; moderate PA level: OR = 0.55, 95% CI = 0.35–0.87). This inverse association was observed only in males with COPD (high PA level: OR = 0.17, CI = 0.04–0.65; moderate PA level: OR = 0.49, 95% CI = 0.27–0.88) and the normal-weight group (18.5 ≤ body mass index (BMI) < 25 kg/m2; high PA level: OR = 0.21, 95% CI = 0.05–0.88; moderate PA level: OR = 0.48, 95% CI = 0.27–0.86). In older community-dwelling patients with COPD, a negative dose-dependent relationship exists between PA level and dynapenia. The independent associations between PA level and dynapenia was significant in men and in participants with normal weight.
Slow wave synchronization and sleep state transitions
Authors: Guo Dan , Thomas Robert J. , Liu Yanhui , Shea Steven A. , Lu Jun , Peng Chung-Kang
Published: May 2022

Spontaneous synchronization over large networks is ubiquitous in nature, ranging from inanimate to biological systems. In the human brain, neuronal synchronization and de-synchronization occur during sleep, with the greatest degree of neuronal synchronization during slow wave sleep (SWS). The current sleep classification schema is based on electroencephalography and provides common criteria for clinicians and researchers to describe stages of non-rapid eye movement (NREM) sleep as well as rapid eye movement (REM) sleep. These sleep stage classifications have been based on convenient heuristic criteria, with little consideration of the accompanying normal physiological changes across those same sleep stages. To begin to resolve those inconsistencies, first focusing only on NREM sleep, we propose a simple cluster synchronization model to explain the emergence of SWS in healthy people without sleep disorders. We apply the empirical mode decomposition (EMD) analysis to quantify slow wave activity in electroencephalograms, and provide quantitative evidence to support our model. Based on this synchronization model, NREM sleep can be classified as SWS and non-SWS, such that NREM sleep can be considered as an intrinsically bistable process. Finally, we develop an automated algorithm for SWS classification. We show that this new approach can unify brain wave dynamics and their corresponding physiologic changes.
Fertilizer type and humic acid improve the growth responses, nutrient uptake, and essential oil content on Coriandrum sativum L.
Authors: Rasouli Farzad , Nasiri Yousef , Asadi Mohammad , Hassanpouraghdam Mohammad Bagher , Golestaneh Sina , Pirsarandib Yaghoub
Published: May 2022

In recent decades, the over-use of chemical fertilizers has imposed many environmental challenges worldwide. Nowadays, organic fertilizers such as vermicompost and livestock manure have gained a huge interest in sustainable agricultural systems. A 2-year field research was conducted as factorial based on a randomized complete block design to assay the fertilizer and humic acid (HA) efficiency on the growth responses and essential oil composition of Coriandrum sativum. The treatments were different fertilizer sources (livestock manure, vermicompost, and chemical fertilizers) and humic acid fertigation before and at the beginning of the flowering stage. The highest protein content was observed under vermicompost × HA application before flowering (0.118 μmol L−1 and 0.128 μmol L−1, respectively). Moreover, the co-application of organic fertilizers × HA at the beginning of flowering resulted in a significant increase in the photosynthetic pigments and N, P, K, Fe, Zn, and Mn content. According to the GC-FID and GC–MS analysis, linalool (55.91–63.19%), γ-terpinene (4.65–6.13%), α-pinene (2.64–5.74%), geranyl acetate (3.49–5.51%), 2-dodecanal (2.92–4.46%), menthol (1.33–3.90%), p-cymene (1.73–2.24%), and geraniol (1.25–2.15%) were the main essential oil constituents. The top linalool content was obtained by using chemical fertilizers and vermicompost × HA at the flowering onset stage. In general, the results revealed that chemical fertilizers could be replaced with vermicompost × HA and their co-application positively influenced the growth responses and the essential oil composition of coriander. Furthermore, the results obtained would be advisable to the extension section and the pioneer farmers to amend the large-scale production systems in favor of environmental health.
Succession comprises a sequence of threshold-induced community assembly processes towards multidiversity
Authors: Hanusch Maximilian , He Xie , Ruiz-Hernández Victoria , Junker Robert R.
Published: May 2022

Research on successions and community assembly both address the same processes such as dispersal, species sorting, and biotic interactions but lack unifying concepts. Recent theoretical advances integrated both research lines proposing a sequence of stochastic and deterministic processes along successional gradients. Shifts in ecosystem states along successional gradients are predicted to occur abruptly once abiotic and biotic factors dominate over dispersal as main driver. Considering the multidiversity composed of five organismal groups including plants, animals, and microbes, our results imply that stochastic, likely dispersal-dominated, processes are replaced by rather deterministic processes such as environmental filtering and biotic interactions after around 60 years of succession in a glacier forefield. The niche-based character of later successional processes is further supported by a decline in multi-beta-diversity. Our results may update concepts of community assembly by considering multiple taxa, help to bridge the gap between research on successions and community assembly, and provide insights into the emergence of multidiverse and complex ecosystems.
Organocatalytic Dynamic Kinetic Resolution
Authors: Pellissier Hélène
Published: May 2022

In a classical kinetic resolution, two enantiomers of a racemate are transformed into chiral products at different rates with a maximum theoretical yield of 50%. However, the need to reduce costs and waste in synthesis have led to efforts to develop novel resolution procedures proceeding beyond this 50% limited yield. This has led to the evolution of classical kinetic resolution into dynamic kinetic resolution (DKR), allowing a quantitative yield of one of the enantiomers. DKR combines the resolution step of kinetic resolution with an in-situ racemization of the chirally-labile substrate. It is only in the last two decades that chiral green organocatalysts have been demonstrated to be capable of promoting DKRs considerably expanding the synthetic scope of the powerful concept of DKR.

Collecting all the developments in the field of DKR, this book shows that a wide variety of organocatalysts allow excellent levels of stereocontrol and yields in many types of transformations. It is a great resource for academics and industrialists interested in green enantioselective catalytic reactions.
Microwave spectra, molecular geometries, and internal rotation of CH3 in N-methylimidazole⋯H2O and 2-methylimidazole⋯H2O Complexes
Authors: Gougoula Eva , Cummings Charlotte N. , Medcraft Chris , Heitkämper Juliane , Walker Nicholas R.
Published: May 2022

Broadband microwave spectra have been recorded between 7.0 and 18.5 GHz for N-methylimidazole⋯H2O and 2-methylimidazole⋯H2O complexes.
High-order dipolar annulations with metal-containing reactive dipoles
Authors: Zhang Mao-Mao , Qu Bao-Le , Shi Bin , Xiao Wen-Jing , Lu Liang-Qiu
Published: May 2022

The advances on metal-catalysed high-order dipolar annulations were comprehensively summarized in this review. To further exploit the potential of this unique annulation strategy, a research outlook was also proposed.
Calix[6]arenes with halogen bond donor groups as selective and efficient anion transporters
Authors: Singh Anurag , Torres-Huerta Aaron , Vanderlinden Tom , Renier Nathan , Martínez-Crespo Luis , Tumanov Nikolay , Wouters Johan , Bartik Kristin , Jabin Ivan , Valkenier Hennie
Published: May 2022

A calix[6]arene with three preorganised halogen bond donating groups gives >100-fold selectivity for Cl− uniport over HCl symport, in contrast to analogous compounds with strong hydrogen bond donating groups.
Iodine-doped covalent organic frameworks with coaxially stacked cruciform anthracenes for high Hall mobility
Authors: Zhu Yunyang , Weng Weijun , Zhou Ting , Lin Zheng , Ding Ning , Maitarad Phornphimon , Wang Changchun , Guo Jia
Published: May 2022

Cruciform anthracene building blocks are designed to construct a two-dimensional covalent organic framework with an enhanced conductivity and a Hall mobility as high as 10.5 cm2 V−1 s−1 upon iodine doping.
1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives
Authors: Li Sha , Sun Yahan , Li Xiaofang , Smaga Oskar , Koniarz Sebastian , Stępień Marcin , Chmielewski Piotr J.
Published: May 2022

Reaction of polycyclic azomethine ylide with norcorrole resulted in a family of chiral antiaromatic stereoisomeric cycloadducts. Oxidative dehydrogenation of some of them gave rise to the dibenzoullazine-extended norcorroles.
A nonclassical pathway to biomimetic strained SrSO4 crystals
Authors: Fujimaki Rina , Oaki Yuya , Imai Hiroaki
Published: May 2022

Biomimetic strained SrSO4 crystals were produced through a nonclassical pathway involving fiber-by-fiber accumulation with poly(acrylic acid) in an aqueous solution system.
Integration of upcycling and closed-loop recycling through alternative cyclization–depolymerization
Authors: Tian Guo-Qiang , Yang Zheng-He , Zhang Wei , Chen Si-Chong , Chen Li , Wu Gang , Wang Yu-Zhong
Published: May 2022

Through cyclization–depolymerization in an ionic liquid, linear poly(p-dioxanone) is upcycled to a cyclic polymer and recycled to a highly purified monomer, achieving a closed-bi-loop recycling.
Cellular point-of-care diagnostics using an inexpensive layer-stack microfluidic device
Authors: Lucas Kilean , Oh Juhyun , Hoelzl Jan , Weissleder Ralph
Published: May 2022

Passively pumped layer stack microfluidics allow for simple, inexpensive cyclic imaging with reduced reagent usage.
Semi-automated preparation of fine-needle aspiration samples for rapid on-site evaluation
Authors: Marques Filipe , Hauser Janosch , Iseri Emre , Schliemann Igor , van der Wijngaart Wouter , Roxhed Niclas
Published: May 2022

A portable microfluidic sample preparation device that allows inexperienced personnel to perform ROSE of FNA samples.
1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU)-promoted reduction of azides to amines under metal-free conditions
Authors: Xu Shijie , Yang Fan , Fan Hui , Zhao Xuechun , Xu Yao , Wang Shuo , Zhang Xiaoxiang
Published: May 2022

A simple and novel metal-free reduction of azides to amines in the presence of DBU is reported. This DBU-promoted transformation features good functional group tolerance and high chemo-selectivity.
An α-naphtholphthalein-derived colorimetric fluorescent chemoprobe for the portable and visualized monitoring of Hg2+by the hydrolysis mechanism
Authors: Jiang Daoyong , Zhang Xiuwen , Chen Yizhao , Zhang Pengfei , Gong Ping , Cai Lintao , Wang Yong
Published: May 2022

An ɑ-naphtholphthalein-derived colorimetric fluorescent chemoprobe was elaborately designed for the portable and visual monitoring of Hg2+in environmental and biological samples.
Soybean protein-derived N, O co-doped porous carbon sheets for supercapacitor applications
Authors: Feng Li , Yan Bing , Zheng Jiaojiao , Chen Jiayun , Wei Rongyun , Jiang Shaohua , Yang Weisen , Zhang Qian , He Shuijian
Published: May 2022

A series of N, O double-doped porous carbon materials were prepared by a one-step carbonization activation method using soybean protein isolate (SPI) as the carbon and nitrogen sources and ZnCl2 as the activating agent.
Decarbonylative cycloaddition of 1H-indene-1,2,3-trione and norbornene via rhodium(i)-catalyzed carbon–carbon bond cleavage
Authors: Hu Zhenzhu , Wang Yuhang , Ma Peng , Wang Jianhui , Liu Guiyan
Published: May 2022

2,3-Dihydro-1H-inden-1-one derivatives were synthesized by a [5+2−2] decarbonylative cycloaddition of 1H-indene-1,2,3-trione and norbornene via rhodium(i) catalyzed direct carbon–carbon bond cleavage.
Manipulation of the crystalline phase diagram of hydrogen through nanoscale confinement effects in porous carbons
Authors: Terry Lui R. , Rols Stephane , Tian Mi , da Silva Ivan , Bending Simon J. , Ting Valeska P.
Published: May 2022

Confinement of H2 in subnanometre pores of microporous carbon stabilizes the lowest energy crystal confirmation at higher temperatures. Change in H2 phase behaviour shown to be caused by severe loss of rotational freedom and energy upon confinement.
Borane-catalyzed arylation of aryldiazoacetates withN,N-dialkylanilines
Authors: Chen Cheng-Yu , Zhao Jing-Hao , Xiong Li-Xue , Wang Feiyi , Yang Guichun , Ma Chao
Published: May 2022

We report a catalytic Friedel–Crafts type arylation of donor–acceptor diazo compounds with aniline derivatives under metal-free and mild conditions.
Visible-light-catalyzed C–H arylation of (hetero)arenes via arylselenonium salts
Authors: Wang Qiyue , Hao Xinyu , Jin Kun , Zhang Rong , Duan Chunying , Li Yaming
Published: May 2022

A novel photo-induced C–H arylation of (hetero)arenes has been developed.
Serum DSG2 as a potential biomarker for diagnosis of esophageal squamous cell carcinoma and esophagogastric junction adenocarcinoma
Authors: Liu Yin-Qiao , Chu Ling-Yu , Yang Tian , Zhang Biao , Zheng Zheng-Tan , Xie Jian-Jun , Xu Yi-Wei , Fang Wang-Kai
Published: May 2022

Background: Exploration of serum biomarkers for early detection of upper gastrointestinal cancer is required. Here, we aimed to evaluate the diagnostic potential of serum desmoglein-2 (DSG2) in patients with esophageal squamous cell carcinoma (ESCC) and esophagogastric junction adenocarcinoma (EJA).

Methods: Serum DSG2 levels were measured by enzyme-linked immunosorbent assay (ELISA) in 459 participants including 151 patients with ESCC, 96 with EJA, and 212 healthy controls. Receiver operating characteristic (ROC) curves were used to evaluate diagnostic accuracy.

Results: Levels of serum DSG2 were significantly higher in patients with ESCC and EJA than those in healthy controls (P<0.001). Detection of serum DSG2 demonstrated an area under the ROC curve (AUC) value of 0.724, sensitivity of 38.1%, and specificity of 84.8% for the diagnosis of ESCC in the training cohort, and AUC 0.736, sensitivity 58.2%, and specificity 84.7% in the validation cohort. For diagnosis of EJA, measurement of DSG2 provided a sensitivity of 29.2%, a specificity of 90.2%, and AUC of 0.698. Similar results were observed for the diagnosis of early-stage ESCC (AUC 0.715 and 0.722, sensitivity 36.3 and 50%, and specificity 84.8 and 84.7%, for training and validation cohorts, respectively) and early-stage EJA (AUC 0.704, sensitivity 44.4%, and specificity 86.9%). Analysis of clinical data indicated that DSG2 levels were significantly associated with patient age and histological grade in ESCC (P<0.05).

Conclusion: Serum DSG2 may be a diagnostic biomarker for ESCC and EJA.
A deep learning‐based method for pixel‐level crack detection on concrete bridges
Authors: Kun Ji , Zhenhai Zhang , Jiale Yu , Jianwu Dang
Published: May 2022

Crack detection of the concrete bridge is an essential index for the safety assessment of bridge structure. It is more important to check the whole structure than to check the accuracy in the damage assessment. However, the traditional deep learning model method cannot completely detect the crack structure, which challenges image‐based crack detection. For this reason, we propose deep bridge crack classification (DBCC)‐Net as a classification‐based deep learning network. By pruning the Yolox, the regression problem of the target detection is converted to the binary classification problem to avoid the network performance degradation caused by the translation invariance of the convolutional neural network (CNN). In addition, the network post‐processing and a two‐stage crack detection strategy are proposed to enable the network to detect cracks and extract crack morphology in high‐resolution images quickly. In the first stage, DBCC‐Net realizes the coarse extraction of crack position based on image slice classification. In the second stage, the complete crack morphology is extracted from the location suggested by the semantic segmentation network. Experimental results show that the proposed two‐stage method has 19 frames per second (FPS) and 0.79 Miou (mean intersection over union) at the actual bridge images with 2560×2560 pixels. Although FPS is reduced, the Miou value is 7.8% higher than other methods, proving this paper's practical value.
VLBI imaging of the pre-coalescence SMBHB candidate SDSS J143016.05+230344.4
Authors: An Tao , Zhang Yingkang , Wang Ailing , Shu Xinwen , Yang Huan , Jiang Ning , Dou Liming , Pan Zhen , Wang Tinggui , Zheng Zhenya
Published: May 2022

Context. Recently, SDSS J143016.05+230344.4 (J1430+2303) was reported to be a supermassive black hole binary (SMBHB) in the final coalescence phase. It is probably the first SMBHB coalescence event observable in human history. Radio observations of J1430+2303 before and after coalescence will provide a unique diagnosis of the energetics and environment of the SMBHB.

Aims. We explore the radio emission from the galactic nucleus region that is closely related to the current X-ray and optical activities and helps to understand the state of black hole accretion and outflow before coalescence.

Methods. Very long baseline interferometry (VLBI) imaging is the only method that offers milli-arcsecond-level high resolution that can exclude the contamination by diffuse emission on galactic scales. We observed J1430+2303 with the European VLBI Network at 1.7 GHz and with the Very Long Baseline Array at 1.6 and 4.9 GHz in late February and early March 2022.

Results. A compact component is detected in all three VLBI images. It has a brightness temperature of > 108 K, an unresolved morphology with a size < 0.8 pc, and a flat radio spectrum. These observational features are inconsistent with large opening-angle outflows or winds, but indicate that this compact component might be a jet or a corona. Nearly 60% of the emission is resolved by VLBI and may come from remnant lobes of previous radio activities, the outer layers of a structured jet, or shocks formed by the disc winds in the narrow line region.

Conclusions. Current VLBI images do not yet show signs of radio outbursts. Our observations provide pre-coalescence radio data that are an important reference for future comparative studies with the post-merger. In particular, further resolving the jet will pave the way for probing the dynamical features associated with inspiralling binary black holes.
Improving photovoltaic performance of P3HT: IC60BA based organic solar cell: N-type doping effect
Authors: Erray Meriem , El Amrani Aumeur , Hanine Mounir , El Amraoui Mohamed , Bejjit Lahcen
Published: May 2022

In this paper we report a numerical simulation study for P3HT: IC60BA based organic solar cell with Analysis of Microelectronic and Photonic Structures the simulation one dimension software (AMPS-1D). Indeed, the N-type doping concentration (ND) effect on the organic solar cell performance is done. Moreover, a combination between the P-type doping concentration (NA) and N-type one (ND) is investigated. However, due to the relationship between doping and carriers charge mobility, the effect ofNDfor different electron mobilities (μn) is also studied. We showed a high efficiency of 5.88% that is achieved for particular values ofNA = 1017cm−3,ND = 2 × 1016cm−3,μp = 3 × 10−4cm2V−1s−1andμn = 7 × 10−4cm2V−1s−1. Thus, we noticed that the P-type doping remains more promising than N-type one for the device performance improvement. Furthermore, the validation of the obtained results by those experimentally reported in literature is realized. In addition, the doping of other BHJ OSC devices consisting of P3HT: IC70BA is studied; an optimum efficiency of about 6.32% is reached.
Assessment of Neonatal Cord Blood SARS-CoV-2 Antibodies after COVID-19 Vaccination in Pregnancy: A Prospective Cohort Study
Authors: Sourouni Marina , Braun Janina , Oelmeier Kathrin , Möllers Mareike , Willy Daniela , Hennies Marc T. , Köster Helen Ann , Pecks Ulrich , Klockenbusch Walter , Schmitz Ralf
Published: May 2022

Introduction Maternally derived antibodies are a key element of neonatal immunity. So far, limited data has shown transplacental transmission of antibodies after coronavirus disease
2019 (COVID-19) vaccination with BNT162b2 in the third trimester. Our aim was to detect vertically transferred immunity after COVID-19 vaccination with BNT162b2 (Comirnaty, BioNTech-Pfizer)
or mRNA-1273 (Spikevax, Moderna) in the first, second or third trimester of pregnancy, and investigate the impact of maternal characteristics on umbilical cord antibody titre in newborns
after delivery.

Study Design Women who gave birth in our department and were vaccinated against COVID-19 during pregnancy were enrolled in CRONOS Satellite, a subproject of the German
COVID-19-Related Obstetric and Neonatal Outcome Study. The titre of immunoglobulin G (IgG) antibodies to the receptor-binding domain of the SARS-CoV-2 spike protein was quantified in
umbilical cord blood using the SARS-CoV-2 IgG II Quant immunoassay. Correlations between antibody titre and variables, including week of pregnancy when vaccinated, interval between
vaccination and delivery, age and body mass index (BMI) were assessed with Spearmanʼs rank correlation. A follow-up was conducted by phone interview 4 – 6 weeks after delivery.

Results The study cohort consisted of 70 women and their 74 newborns. Vaccine-generated antibodies were present in all samples, irrespective of the vaccination type or time of
vaccination. None of the parameters of interest showed a meaningful correlation with cord blood antibody concentrations (rho values < 0.5). No adverse outcomes (including foetal
malformation) were reported, even after vaccination in the first trimester.

Conclusions Transplacental passage of SARS-CoV-2 antibodies from mother to child was demonstrated in all cases in the present study. It can therefore be assumed that the newborns of
mothers vaccinated at any time during pregnancy receive antibodies via the placenta which potentially provide them with protection against COVID-19. This is an additional argument when
counselling pregnant women about vaccination in pregnancy.
Anorexia nervosa – eine metabolisch-psychiatrische Erkrankung?
Authors: Herpertz-Dahlmann Beate , Seitz Jochen , Dahmen Brigitte
Published: May 2022

Die Anorexia nervosa (AN) ist die psychische Erkrankung mit der höchsten Mortalität. Individuen, die im Jugendalter erkranken, leiden durchschnittlich über 10 Jahre an dieser Störung. Obwohl die klinische Erfahrung und internationale sowie nationale Studien auf einen unzureichenden Heilungserfolg hinweisen, wird in Deutschland meist an der traditionellen langdauernden stationären Behandlung festgehalten. Studien zur Erforschung der Ätiologie haben neue Erkenntnisse gebracht. Der vorliegende Artikel will beispielhaft neue biologische und psychologische Interventionen aufzeigen, die die Prognose dieser Erkrankung verbessern könnten. Dazu gehören therapeutische Strategien, die auf das Darm-Mikrobiom und damit auf die Darm-Gehirn-Achse Einfluss nehmen, eine neue experimentelle Behandlung mit Metreleptin (rekombinantes menschliches Leptin) sowie ein neues Behandlungssetting, das Home-Treatment. Nach erfolgreichen Pilotstudien soll in randomisiert-kontrollierten Studien herausgefunden werden, wie eine „personalisierte Behandlung“ der AN in Abhängigkeit von Schweregrad und Krankheitsdauer durchgeführt werden könnte.
Eine ambulante Entzugsbehandlung von Kratom bei sozialer Phobie: psychotherapeutische Praxis trifft suchtpsychiatrische Institutsambulanz
Authors: Schmid Petra , Leibfarth Markus , Uhlmann Carmen
Published: May 2022

Zusammenarbeit

Hintergrund Weltweit wird von einer Zunahme des Konsums von Kratom berichtet. In Deutschland nicht als illegal eingestuft sind Wirkprofil und Entzugssymptomatik ähnlich wie bei Opiaten.

Material und Methoden Ein Patient stellte sich zur Behandlung seiner sozialen Phobie in einer niedergelassenen psychotherapeutischen Praxis vor. Ein problematischer Konsum von Kratom wurde offengelegt, die Behandlungsplanung entsprechend angepasst.

Ergebnisse Die körperliche Entzugsbehandlung wurde in Kooperation von der psychiatrischen Institutsambulanz und der psychotherapeutischen Praxis gemeinsam durchgeführt. Abstinenzsicherung und Behandlung der sozialen Phobie sind nun anstehende Ziele in der psychotherapeutischen Praxis.

Diskussion Der Konsum von Kratom ist verbreiteter als augenscheinlich angenommen. Eine Entgiftung kann ambulant durchgeführt werden.

Schlussfolgerungen Der Fall unterstreicht die Bedeutung einer ausführlichen Suchtanamnese, vor allem aber der einzelfallbezogenen Kooperation der Niedergelassenen mit den psychiatrischen Kliniken.
Harnsteinbefunde bei Katzen aus Deutschland in den Jahren 2016–2020
Authors: Breu Doris , Müller Elisabeth
Published: May 2022

Gegenstand Ziel der Studie war, die Verteilung und Häufigkeit unterschiedlicher Harnsteine von Katzen aus Deutschland zu erfassen sowie geschlechts-, alters-, und rassespezifische Unterschiede zu evaluieren.

Material und Methode Im Zeitraum 2016–2020 wurden mittels Infrarotspektroskopie 3629 Harnsteinproben von Katzen aus Deutschland analysiert. 3330 Harnsteine stammten von Rassekatzen, die 22 Rassen zugeordnet werden konnten.

Ergebnisse Die Harnsteine entfielen auf männlich kastrierte (45,3 %), weiblich kastrierte (35,3 %), männlich intakte (7,4 %) und weiblich intakte (6,3 %) Tiere. Das mediane Alter (Jahre) der Tiere war 7, variierte aber zwischen den unterschiedlichen Steinarten. Die häufigsten Steinarten waren: Kalziumoxalate (59,5 %), Struvite (33,7 %), Ammoniumurate (2 %), Kalziumphosphate (1,7 %), Cystine (0,7 %) und Xanthine (0,4 %). Männliche (59,4 %) und weibliche (59,2 %) Tiere hatten nahezu identische prozentuale Anteile an Kalziumoxalaten, während der Anteil bei Kastraten mit 60,2 % signifikant höher war als bei intakten Tieren (54,4 %; p = 0,01). Bei Struvitsteinen war der Anteil männlicher (32,6 %) geringer als der weiblicher Tiere (35,4 %; p = 0,08) und der Anteil der intakten Tiere (38,2 %) übertraf den der kastrierten Tiere signifikant (33,1 %; p = 0,02). Die Prävalenz der Kalziumoxalatsteine stieg im Untersuchungszeitraum um 6,6 %, während die der Struvitsteine 5,5 % abnahm. Einige Rassen (> 10 Individuen) zeigten eine signifikant gehäufte Neigung zur Bildung bestimmter Steinarten. Kalziumoxalate fanden sich signifikant häufiger bei Britisch Kurzhaar (85,2 %), Ragdoll (75 %), Scottish Fold (74,1 %) und Perserkatzen (72,4 %). Struvitsteine waren die dominierende Steinart bei Norwegischer Waldkatze (48,5 %), Britisch Langhaar (41,7 %), Europäisch Kurzhaar (41,7 %) und Sibirischer Waldkatze (36,8 %). Siamkatzen hatten den signifikant höchsten prozentualen Anteil an Cystinsteinen (16 %)

Schlussfolgerung und klinische Relevanz Kalziumoxalate und Struvitsteine sind bei Katzen aus Deutschland die häufigsten Steinarten. Rasse-, alters-, geschlechts- und kastrationsspezifische Unterschiede wurden festgestellt.