bluuebunny/crossref_metadata_2025 huggingface dataset:
The relationship between health-related quality of life and melancholic depressive symptoms is modified by brain insulin receptor gene network
Authors: Selenius Jannica S. , Silveira Patricia P. , Salonen Minna , Kautiainen Hannu , von Bonsdorff Mikaela , Kajantie Eero , Lahti Jari , Eriksson Johan G. , Wasenius Niko S.
Published: November 2021

To investigate whether expression-based polygenic risk scores for the insulin receptor gene network (ePRS-IRs) modifiy the association between type of depressive symptoms and health-related quality of life (HRQoL). This cross-sectional study includes 1558 individuals from the Helsinki Birth Cohort Study. Between 2001 and 2004, the Short Form-36 questionnaire was employed to assess mental and physical components of HRQoL and Beck Depression Inventory (BDI) to assess depressive symptoms. Depressive symptoms were categorized into minimal (BDI < 10), non-melancholic and melancholic types of depression. The ePRS-IRs were calculated for the hippocampal (hePRS-IR) and the mesocorticolimbic (mePRS-IR) regions of the brain. General linear regression models adjusted for age, sex, population stratification, lifestyle factors and body mass index were applied to analyze the data. Both types of depressive symptoms were associated with lower HRQoL (p < 0.0001). HePRS-IR modified the association between the types of depression and mental HRQoL (p for interaction = 0.005). Melancholic type of depressive symptoms was associated with higher mental HRQoL compared to the non-melancholic symptoms among individuals with low hePRS-IR (adjusted mean 4.1, 95% CI 0.7–7.4, p = 0.018). However, no such difference was evident in moderate or high hePRS-IR groups as higher hePRS-IR was associated with lower mental HRQoL (B = − 3.4, 95% CI − 5.6 to − 1.2) in individuals with melancholic type of depressive symptoms. No direct associations were detected between the ePRS-IRs and type of depressive symptoms or HRQoL. Variations in the glucose-insulin metabolism can lower HRQoL in individuals with melancholic depressive symptoms.
DeepGreen: deep learning of Green’s functions for nonlinear boundary value problems
Authors: Gin Craig R. , Shea Daniel E. , Brunton Steven L. , Kutz J. Nathan
Published: November 2021

Boundary value problems (BVPs) play a central role in the mathematical analysis of constrained physical systems subjected to external forces. Consequently, BVPs frequently emerge in nearly every engineering discipline and span problem domains including fluid mechanics, electromagnetics, quantum mechanics, and elasticity. The fundamental solution, or Green’s function, is a leading method for solving linear BVPs that enables facile computation of new solutions to systems under any external forcing. However, fundamental Green’s function solutions for nonlinear BVPs are not feasible since linear superposition no longer holds. In this work, we propose a flexible deep learning approach to solve nonlinear BVPs using a dual-autoencoder architecture. The autoencoders discover an invertible coordinate transform that linearizes the nonlinear BVP and identifies both a linear operator L and Green’s function G which can be used to solve new nonlinear BVPs. We find that the method succeeds on a variety of nonlinear systems including nonlinear Helmholtz and Sturm–Liouville problems, nonlinear elasticity, and a 2D nonlinear Poisson equation and can solve nonlinear BVPs at orders of magnitude faster than traditional methods without the need for an initial guess. The method merges the strengths of the universal approximation capabilities of deep learning with the physics knowledge of Green’s functions to yield a flexible tool for identifying fundamental solutions to a variety of nonlinear systems.
EEG-based detection of emotional valence towards a reproducible measurement of emotions
Authors: Apicella Andrea , Arpaia Pasquale , Mastrati Giovanna , Moccaldi Nicola
Published: November 2021

A methodological contribution to a reproducibleMeasurement of Emotionsfor an EEG-based system is proposed.Emotional Valencedetection is the suggested use case. Valence detection occurs along theinterval scaletheorized by theCircumplex Modelof emotions. The binary choice, positive valence vs negative valence, represents a first step towards the adoption of a metric scale with a finer resolution. EEG signals were acquired through a 8-channel dry electrode cap. An implicit-more controlled EEG paradigm was employed to elicit emotional valence through the passive view of standardized visual stimuli (i.e., Oasis dataset) in 25 volunteers without depressive disorders. Results from theSelf Assessment Manikinquestionnaire confirmed the compatibility of the experimental sample with that ofOasis. Two different strategies for feature extraction were compared: (i) based on a-priory knowledge (i.e., Hemispheric Asymmetry Theories), and (ii) automated (i.e., a pipeline of a custom 12-band Filter Bank and Common Spatial Pattern). An average within-subject accuracy of 96.1 %, was obtained by a shallow Artificial Neural Network, whilek-Nearest Neighbors allowed to obtain a cross-subject accuracy equal to 80.2%.
Bottlenose dolphins (Tursiops truncatus) aggressive behavior towards other cetacean species in the western Mediterranean
Authors: Crespo-Picazo J. L. , Rubio-Guerri C. , Jiménez M. A. , Aznar F. J. , Marco-Cabedo V. , Melero M. , Sánchez-Vizcaíno J. M. , Gozalbes P. , García-Párraga D.
Published: November 2021

Aggressive behavior of bottlenose dolphins (Tursiops truncatus) towards conspecifics is widely described, but they have also often been reported attacking and killing harbour porpoises (Phocoena phocoena) around the world. However, very few reports exist of aggressive interactions between bottlenose dolphins and other cetacean species. Here, we provide the first evidence that bottlenose dolphins in the western Mediterranean exhibit aggressive behavior towards both striped dolphins (Stenella coeruleoalba) and Risso’s dolphins (Grampus griseus). Necropsies and visual examination of stranded striped (14) and Risso’s (2) dolphins showed numerous lesions (external rake marks and different bone fractures or internal organ damage by blunt trauma). Indicatively, these lessons matched the inter-tooth distance and features of bottlenose dolphins. In all instances, these traumatic interactions were presumed to be the leading cause of the death. We discuss how habitat changes, dietary shifts, and/or human colonization of marine areas may be promoting these interactions.
Body mass and geographic distribution determined the evolution of the wing flight-feather molt strategy in the Neornithes lineage
Authors: Kiat Yosef , Slavenko Alex , Sapir Nir
Published: November 2021

The evolutionary history of many organisms is characterized by major changes in morphology and distribution. Specifically, alterations of body mass and geographic distribution may profoundly influence organismal life-history traits. Here, we reconstructed the evolutionary history of flight-feather molt strategy using data from 1,808 Neornithes species. Our analysis suggests that the ancestral molt strategy of first-year birds was partial or entirely absent, and that complete wing flight-feather molt in first-year birds first evolved in the late Eocene and Oligocene (25–40 Ma), at least 30 Myr after birds first evolved. Complete flight-feather molt occurred mainly at equatorial latitudes and in relatively low body mass species, following a diversification of body mass within the lineage. We conclude that both body mass and geographic distribution shaped the evolution of molt strategies and propose that the evolutionary transition towards complete juvenile molt in the Neornithes is a novel, relatively late adaptation.
Persistence and metabolism of the diamide insecticide cyantraniliprole in tomato plants
Authors: Huynh Khang , Leonard Elizabeth , Chong Juang-Horng , Palmer Cristi , Tharayil Nishanth
Published: November 2021

Plant uptake and metabolism of pesticides are complex and dynamic processes, which contribute to the overall toxicity of the pesticides. We investigated the metabolic fate of cyantraniliprole, a new diamide class of insecticide, during various growth stages of tomato. Cyantraniliprole was the major residue in leaves, flowers, and fruits, with the relative metabolite-to-parent ratios maintained at < 10% up to 28 days after treatment (DAT). Mature leaves contained consistently higher residues of cyantraniliprole than young leaves throughout the study. Flowers contained the highest cyantraniliprole residues up to 21 DAT, then gradually decreased. Immature green fruits had the highest cyantraniliprole residues (5.3 ± 0.7 ng/g; 42 DAT), and decreased toward red ripening stages (1.4 ± 0.2 ng/g; 84 DAT). Metabolism of cyantraniliprole primarily occurred in the foliage, where 21 metabolites were tentatively identified. Flowers and fruits contained 14 and four of these metabolites, respectively. Major transformation pathways were characterized by ring closure, followed by N-demethylation, and glycosylation. Additionally, plant metabolism of cyantraniliprole was also associated with several minor phase-I, phase-II, and breakdown metabolites. The occurrence of these metabolites in plants varied as a function of tissue types and their developmental stages. Our study highlights a tissue-specific biotransformation and accumulation of metabolites of cyantraniliprole in tomato.
Profiling of ob/ob mice skeletal muscle exosome-like vesicles demonstrates combined action of miRNAs, proteins and lipids to modulate lipid homeostasis in recipient cells
Authors: Jalabert Audrey , Reininger Laura , Berger Emmanuelle , Coute Yohann , Meugnier Emmanuelle , Forterre Alexis , Errazuriz-Cerda Elizabeth , Geloen Alain , Aouadi Myriam , Bouzakri Karim , Rieusset Jennifer , Rome Sophie
Published: November 2021

We have determined the lipid, protein and miRNA composition of skeletal muscle (SkM)-released extracellular vesicles (ELVs) from Ob/ob (OB) vs wild-type (WT) mice. The results showed that atrophic insulin-resistant OB-SkM released less ELVs than WT-SkM, highlighted by a RAB35 decrease and an increase in intramuscular cholesterol content. Proteomic analyses of OB-ELVs revealed a group of 37 proteins functionally connected, involved in lipid oxidation and with catalytic activities. OB-ELVs had modified contents for phosphatidylcholine (PC 34-4, PC 40-3 and PC 34-0), sphingomyelin (Sm d18:1/18:1) and ceramides (Cer d18:1/18:0) and were enriched in cholesterol, likely to alleviated intracellular accumulation. Surprisingly many ELV miRNAs had a nuclear addressing sequence, and targeted genes encoding proteins with nuclear activities. Interestingly, SkM-ELV miRNA did not target mitochondria. The most significant function targeted by the 7 miRNAs altered in OB-ELVs was lipid metabolism. In agreement, OB-ELVs induced lipid storage in recipient adipocytes and increased lipid up-take and fatty acid oxidation in recipient muscle cells. In addition, OB-ELVs altered insulin-sensitivity and induced atrophy in muscle cells, reproducing the phenotype of the releasing OB muscles. These data suggest for the first time, a cross-talk between muscle cells and adipocytes, through the SkM-ELV route, in favor of adipose tissue expansion.
Thioredoxin-1 mediates neuroprotection of Schisanhenol against MPP+-induced apoptosis via suppression of ASK1-P38-NF-κB pathway in SH-SY5Y cells
Authors: Yang Hongyan , Li Libo , Jiao Yu , Zhang Yuanliang , Wang Yuhua , Zhu Kunjie , Sun Chao
Published: November 2021

Oxidative stress-induced dopaminergic neuronal loss and apoptosis play a crucial role in the pathogenesis of Parkinson’s disease (PD), and as a vital antioxidant protein, thioredoxin (Trx) exerts neuroprotection against PD. In this study, we investigated the effect of Schisanhenol (Sal), an active component from a traditional Chinese herb Schisandra rubriflora (Franch.), on MPP+-induced apoptosis and its association with thioredoxin-1 (Trx1) in SH-SY5Y cells. The protein levels of Trx1 and apoptosis-related proteins were detected by Western blot, the expression of Trx1 mRNA by real time qPCR, and apoptosis was detected by fluorescence microscopy and flow cytometry. Pretreatment with Sal (1 µM, 10 µM, and 50 µM) dose-dependently ameliorated MPP+-induced neuronal injury, confirmed by the improvement of the viability and morphological changes. Sal decreased the apoptosis rate of cells, suppressed the production of DNA ladder and sub-G1 peak, inhibited the Caspase-3 activity and the expression of apoptosis-related proteins. Sal enhanced the expression of Trx1 both in the protein and mRNA levels. However, the Trx1 inhibitor PX-12 suppressed the protective effects of Sal. In addition, Sal inhibited NF-κB translocation and activation. These results suggest that Sal has a protective effect against MPP+-induced apoptosis in SH-SY5Y cells via up-regulation of Trx1 expression and suppression of ASK1-P38-NF-κB pathway.
Explainable machine learning predictions of dual-target compounds reveal characteristic structural features
Authors: Feldmann Christian , Philipps Maren , Bajorath Jürgen
Published: November 2021

Compounds with defined multi-target activity play an increasingly important role in drug discovery. Structural features that might be signatures of such compounds have mostly remained elusive thus far. We have explored the potential of explainable machine learning to uncover structural motifs that are characteristic of dual-target compounds. For a pharmacologically relevant target pair-based test system designed for our study, accurate prediction models were derived and the influence of molecular representation features of test compounds was quantified to explain the predictions. The analysis revealed small numbers of specific features whose presence in dual-target and absence in single-target compounds determined accurate predictions. These features formed coherent substructures in dual-target compounds. From computational analysis of specific feature contributions, structural motifs emerged that were confirmed to be signatures of different dual-target activities. Our findings demonstrate the ability of explainable machine learning to bridge between predictions and intuitive chemical analysis and reveal characteristic substructures of dual-target compounds.
Influence of lesion size on shear wave elastography in the diagnosis of benign and malignant thyroid nodules
Authors: Li Huizhan , Kang Chunsong , Xue Jiping , Jing Liwei , Miao Junwang
Published: November 2021

In shear wave elastography (SWE) studies, the optimal cutoff value of Young’s modulus for the diagnosis of benign and malignant thyroid nodules varies greatly, which affects the clinical application of the method. The objective of this study was to evaluate the influence of thyroid nodule size on the clinical diagnostic efficacy of SWE. A total of 356 thyroid nodules of 280 patients were divided into three groups according to size (Group A: ≤ 1 cm; Group B: 1–2 cm; Group C: ≥ 2 cm). SWE was used to measure the maximum Young's modulus (Emax) values of all thyroid nodules. Receiver operating characteristic (ROC) curves were drawn with pathological results as the gold standard. For all nodules, the optimal cutoff value of Emax in SWE for diagnosing malignant thyroid nodules was 36.2 kPa. The sensitivity and specificity were 76.5% and 78.4%, respectively. Groups A, B, and C had different optimal Emax cutoff values of 33.7 kPa, 37.7 kPa, and 55.1 kPa, respectively. The area under the ROC curve (AUC) values of Groups A, B, and C (0.844, 0.886, and 0.935, respectively) were all greater than the values for all lesions (0.830). The specificity values of Groups A, B, and C (86.4%, 82.6%, and 88.2%, respectively) were all increased, and the sensitivity values of Groups B and C (89.7% and 96.4%, respectively) were also increased compared with the values for all lesions. Thyroid nodule size affects the optimal Emax cutoff value of SWE. We suggest that different cutoff values be used to diagnose benign and malignant thyroid nodules according to lesion size.
Prolonged carriage of ESBL-producing enterobacterales and potential cross-transmission among residents in geriatric long-term care facilities
Authors: Ae Ryusuke , Sasahara Teppei , Yoshimura Akio , Kosami Koki , Hatakeyama Shuji , Sasaki Kazumasa , Kimura Yumiko , Akine Dai , Ogawa Masanori , Hamabata Kenji , Cui Longzhu
Published: November 2021

Previous studies indicated residents in geriatric long-term care facilities (LTCFs) had much higher prevalence of extended-spectrum β-lactamase-producing Enterobacteriaceae (ESBL-E) carriage than the general population. Most ESBL-E carriers are asymptomatic. The study tested the hypothesis that residents with ESBL-E carriage may accumulate inside geriatric LTCFs through potential cross-transmission after exposure to residents with prolonged ESBL-E carriage. 260 residents from four Japanese LTCFs underwent ESBL-E testing of fecal specimens and were divided into two cohorts: Cohort 1,75 patients with ≥ 2 months residence at study onset; Cohort 2, 185 patients with < 2 months residence at study onset or new admission during the study period. Three analyses were performed: (1) ESBL-E carriage statuses in Cohort 1 and Cohort 2; (2) changes in ESBL-E carriage statuses 3–12 months after the first testing and ≥ 12 months after the second testing; and (3) lengths of positive ESBL-E carriage statuses. Compared with the residents in Cohort 1, a significantly larger proportion of residents in Cohort 2 were positive for ESBL-E carriage (28.0% in Cohort 1 vs 40.0% in Cohort 2). In the subsequent testing results, 18.3% of residents who were negative in the first testing showed positive conversion to ESBL-E carriage in the second testing, while no patients who were negative in the second testing showed positive conversion in the third testing. The maximum length of ESBL-E carriage was 17 months. The findings indicated that some residents acquired ESBL-E through potential cross-transmission inside the LTCFs after short-term residence. However, no residents showed positive conversion after long-term residence, which indicates that residents with ESBL-E carriage may not accumulate inside LTCFs. Practical infection control and prevention measures could improve the ESBL-E prevalence in geriatric LTCFs.
Maximal terahertz emission in high harmonic generation from 3D Dirac semimetals
Authors: Lim Jeremy , Ang Yee Sin , Ang Lay Kee , Wong Liang Jie
Published: November 2021

Unlike conventional semiconductor platforms, 3D Dirac semimetals (DSMs) require relatively low input laser intensities for efficient terahertz (THz) high harmonic generation (HHG), making them promising materials for developing compact THz light sources. Here, we show that 3D DSMs’ high nonlinearity opens up a regime of nonlinear optics where extreme subwavelength current density features develop within nanoscale propagation distances of the driving field. Our results reveal orders-of-magnitude enhancement in HHG intensity with thicker 3D DSM films, and show that these subwavelength features fundamentally limit HHG enhancement beyond an optimal film thickness. This decrease in HHG intensity beyond the optimal thickness constitutes an effective propagation-induced dephasing. Our findings highlight the importance of propagation dynamics in nanofilms of extreme optical nonlinearity.
Engineered red blood cell membrane for sensitive and precise electrochemical detection of salivary exosomes
Authors: He Libang , Shao Meiying , Xu Jue , Chen Hao
Published: November 2021

An electrochemical method is developed for salivary exosome detection using red blood cell membranes engineered with CD63 aptamer.
Simultaneous extraction and surface enhanced Raman spectroscopy detection for the rapid and reliable identification of nicotine released from snus products
Authors: Tian Yongfeng , Tang Xianghu , Fu Yaning , Shang Shanzhai , Dong Gaofeng , Li Tinghua , Huang Xingjiu , Zhu Donglai
Published: November 2021

Here, simultaneous extraction and SERS detection of nicotine for rapid and reliable identification of nicotine release of snus products were performed based on nano-Au assembly hierarchy structure in the capillary.
A deoxygenation-switch-based red-emitting fluorogenic light-up probe for the detection of highly toxic free bilirubin in human blood serum
Authors: Ahmmed Ejaj , Mondal Asit , Chandra Saha Nimai , Dhara Koushik , Chattopadhyay Pabitra
Published: November 2021

A new benzorhodol-based fluorogenic probe with a ‘turn on’ mechanism, having a biofriendly excitation wavelength (580 nm), was used to analyze biologically toxic free bilirubin in aqueous buffer medium.
Highly active and stable hydrogen production by room-temperature formaldehyde oxidation on Fe2O3/Pd
Authors: Liu Xiaogang , Chen Wenjie , Wang Wei
Published: November 2021

Fe2O3/Pd catalysts were prepared by impregnation and coprecipitation methods, and exhibit a high and stable hydrogen production rate of 293.98 mL min−1 g−1 with a Pd loading of 1 wt% at 298 K.
Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties
Authors: Xie Feng-Yang , Yang Qi , Wang Jia-Si , Yu Hong-Yi , Li Yue , Ruan Wen-Juan
Published: November 2021

Due to interchromophoric interactions, two series of BTT-based Ln–MOFs exhibited different crystallization selectivities towards Ln3+ ions and optoelectronic properties.
(−)-Epigallocatechin-3-gallate mitigates cyclophosphamide-induced intestinal injury by modulating the tight junctions, inflammation and dysbiosis in mice
Authors: Wei Ran , Liu Xingquan , Wang Yuefei , Dong Junjie , Wu Fenghua , Mackenzie Gerardo G. , Su Zhucheng
Published: November 2021

Schematic diagram depicting the main mechanisms of EGCG for mitigating cyclophosphamide (CTX)-induced intestinal injury.
Ganoderic acid improves 5-fluorouracil-induced cognitive dysfunction in mice
Authors: Abulizi Abudumijiti , Ran Jianhua , Ye Yuwei , An Yongpan , Zhang Yukun , Huang Zhizhen , Lin Simei , Zhou Hong , Lin Dongmei , Wang Lianfu , Lin Zhibin , Li Min , Yang Baoxue
Published: November 2021

Ganoderic acid, isolated from Ganoderma lucidum, significantly ameliorated 5-FU induced cognitive impairment via preventing mitochondrial impairment and enhancing neuronal survival and growth.
Nanodiamond-induced modifications of Eu-doped phosphate glasses toward photonic applications: A synergistic physico-chemical approach
Authors: Sendova Mariana , Jiménez José A.
Published: November 2021

The role of nanodiamond as reductant and modifier of the optical properties of Eu-doped phosphate glasses toward photonic applications is scrutinized via optical transmission, photoluminescence spectroscopy, Raman scattering and calorimetry.
Streptomyces aureorectus DSM 41692 and Streptomyces virens DSM 41465 are producers of the antibiotic nucleocidin and 4′-fluoroadenosine is identified as a co-product
Authors: Chen Yawen , Zhang Qingzhi , Feng Xuan , Wojnowska Marta , O'Hagan David
Published: November 2021

Genome homologies led to the identification of Streptomyces aureorectus DSM 41692 and Streptomyces virens DSM 41465 as producers of the antibiotic nucleocidin, and also 4’-fluoroadenosine.
Recent advances in the preparation of semifluorinated polymers
Authors: Jaye Joseph A. , Sletten Ellen M.
Published: November 2021

Synthesis of semifluorinated polymers containing fluorous groups on the backbone or as side chains is an increasingly popular field of research.
Three-component photoredox 1,2-alkylamination of styrenes with alkanes and nitrogen nucleophiles via C(sp3)–H bond cleavage
Authors: Huang Jing , Liang Yun-Yan , Ouyang Xuan-Hui , Xiao Yu-Ting , Qin Jing-Hao , Song Ren-Jie , Li Jin-Heng
Published: November 2021

A three-component photoredox 1,2-alkylamination of styrenes involving functionalization of C(sp3)–H bonds in alkyl halides instead of functionalization of C-halogen bonds is disclosed.
1,2-Dimyristoyl-sn-glycero-3-phosphocholine promotes the adhesion of nanoparticles to bio-membranes and transport in rat brain
Authors: Han Dong , Zhang Baolin , Dong Jianghui , Yang Boning , Peng Yuntao , Wang Junfeng , Wang Liping
Published: November 2021

1,2-Dimyristoyl-sn-glycero-3-phosphocholine (DMPC) coated on the surface of superparamagnetic iron oxide nanoparticles (SPIONs) has advantages in neurotherapy and drug delivery.
High ionic conduction, toughness and self-healing poly(ionic liquid)-based electrolytes enabled by synergy between flexible units and counteranions
Authors: Yang Fu Jie , Liu Qing Feng , Wu Xiao Bing , He Yu Yi , Shu Xu Gang , Huang Jin
Published: November 2021

Polymer electrolytes offer great potential for emerging wearable electronics.
β-Blockers bearing hydroxyethylamine and hydroxyethylene as potential SARS-CoV-2 Mpro inhibitors: rational based design,in silico,in vitro, and SAR studies for lead optimization
Authors: Hamed Mohammed I. A. , Darwish Khaled M. , Soltane Raya , Chrouda Amani , Mostafa Ahmed , Abo Shama Noura M. , Elhady Sameh S. , Abulkhair Hamada S. , Khodir Ahmed E. , Elmaaty Ayman Abo , Al-karmalawy Ahmed A.
Published: November 2021

Hydroxyethylamine and hydroxyethylene moieties of β-blockers exert potential SARS-CoV-2 inhibitory effects: rational-based design andin silico,in vitro, and SAR Studies.
Self-supporting carbon-rich SiOC ceramic electrodes for lithium-ion batteries and aqueous supercapacitors
Authors: Mujib Shakir Bin , Ribot François , Gervais Christel , Singh Gurpreet
Published: November 2021

Fabrication of precursor-derived ceramic fibers as electrodes for energy storage applications remains largely unexplored.
Heterogeneous ketonic decarboxylation of dodecanoic acid: studying reaction parameters
Authors: Perera-Solis Diego D. , Zholobenko Vladimir L. , Whiting Andrew , Greenwell Hugh Christopher
Published: November 2021

Ketonic decarboxylation has gained significant attention in recent years as a pathway to reduce the oxygen content within biomass-derived oils, and to produce sustainable ketones.
Radical chain monoalkylation of pyridines
Authors: Rieder Samuel , Meléndez Camilo , Dénès Fabrice , Jangra Harish , Mulliri Kleni , Zipse Hendrik , Renaud Philippe
Published: November 2021

N-Methoxypyridinium salts are exceptionally reactive radical traps that can be used in efficient radical chain reactions with organoboranes.
Revealing redox isomerism in trichromium imides by anomalous diffraction
Authors: Bartholomew Amymarie K. , Musgrave Rebecca A. , Anderton Kevin J. , Juda Cristin E. , Dong Yuyang , Bu Wei , Wang Su-Yin , Chen Yu-Sheng , Betley Theodore A.
Published: November 2021

Application of high-resolution Multiwavelength Anomalous Diffraction (MAD) allows the assignment of localized, partly delocalized, and fully delocalized oxidation in a series of trichromium imide isomers.
Organic amine mediated cleavage of Caromatic–Cα bonds in lignin and its platform molecules
Authors: Xin Yu , Shen Xiaojun , Dong Minghua , Cheng Xiaomeng , Liu Shulin , Yang Junjuan , Wang Zhenpeng , Liu Huizhen , Han Buxing
Published: November 2021

Pre-functionalization with amine sources mediated the cleavage of Caromatic–Cα bonds to produce two valuable chemicals with high yields, for the full utilization of the aromatic rings and side-chains in lignin and its platform molecules.
Covalent organic framework hydrogels for synergistic seawater desalination and uranium extraction
Authors: Cui Wei-Rong , Zhang Cheng-Rong , Liang Ru-Ping , Qiu Jian-Ding
Published: November 2021

CPP with capillary microporous channels for rapid diffusion of uranyl ions and adequate water transport, and good photothermal effect can realize synergistic freshwater collection and uranium extraction.
Risk of an Adverse Event in Individuals Who Aspirate: A Review of Current Literature on Host Defenses and Individual Differences
Authors: Palmer Phyllis M. , Padilla Aaron H.
Published: November 2021

Purpose:

The presence of oropharyngeal dysphagia increases the likelihood of prandial aspiration, and aspiration increases the likelihood of a dysphagia-related pulmonary sequelae such as aspiration pneumonia, acute respiratory distress syndrome, pulmonary fibrosis, and even death. Although these outcomes are unfortunate, it is important to point out that these consequences are not solely determined by the presence of aspiration. The purpose of this tutorial is to provide current information on pulmonary defenses and the variables that increase risk of an adverse outcome in individuals who aspirate.

Method:

This tutorial reviews the basics of lung defenses and summarizes the literature to make the case that the host is a central theme in dysphagia management. Case studies are employed to highlight the key variables.

Results:

Based on a literature review, a series of questions are proposed for consideration in dysphagia management. These questions, which take the focus away from the presence of aspiration and toward the associated risks within an individual, are then applied to two case studies.

Conclusions:

A guiding framework is proposed to encourage clinicians to assess more than the presence of aspiration and consider the individual's ability to cope with the aspirated material. In the presence of aspiration, clinicians are urged to focus on the risk factors that can lead to a negative consequence, identify which factors are modifiable, and determine when a level of risk is acceptable.
Temporal deep unfolding for constrained nonlinear stochastic optimal control
Authors: Kishida Masako , Ogura Masaki
Published: November 2021

This paper proposes a computational technique to solve discrete‐time optimal control problems for nonlinear systems subject to stochastic disturbances, hard input constraints, and soft constraints. The approach employs the idea of deep unfolding, which is a recently developed model‐based deep learning method that is applicable to iterative algorithms. By regarding each state transition of the dynamical system as an iteration step, these state transitions are unfolded into the layers of a deep neural network. This produces a computational graph that contains trainable parameters that determine control inputs. These parameters are optimized by training the deep neural network using the standard deep learning technique of backpropagation and incremental training. Then, the optimal control inputs are obtained from the optimized parameters. This provides a way to optimize the control inputs that otherwise would be difficult to obtain. The effectiveness of the proposed technique is demonstrated by numerical experiments for the maximum hands‐off control problem and constrained model predictive control problems using a highly nonlinear model of a continuous stirred tank reactor.
Personalized path generation and robust H∞ output‐feedback path following control for automated vehicles considering driving styles
Authors: Chen Yimin , Zhang Yuanxu , Zhang Feihu
Published: November 2021

This paper proposes a personalized output‐feedback path‐following control strategy for automated vehicles. A personalized path generation approach is created to obtain the expected paths of drivers with different driving styles. Historical driving data and road features are used to calculate the waypoints that characterize driving styles. Then, a robust output‐feedback controller is designed to follow the generated paths. A solution based on matrix partition is provided to compute the output‐feedback control gains without using the vehicle lateral velocity signal, which facilitates the practical implementation of the designed controller. The proposed driving strategy is validated in CarSim® simulations and scaled car experiments. The results show the personalized paths can match with drivers’ driving styles and can be tracked by the designed output‐feedback path‐following controller.
Deep learning for high‐resolution estimation of clutter angle‐Doppler spectrum in STAP
Authors: Duan Keqing , Chen Hui , Xie Wenchong , Wang Yongliang
Published: November 2021

Space‐time adaptive processing (STAP) methods can provide good clutter suppression potential in airborne radar systems. However, the performance of these methods is limited by the training samples' support in practical applications. To address this issue, a deep learning framework for STAP is developed. First, the clutter space‐time data and their exact clutter covariance matrices (CCMs) are simultaneously modelled via simulation, in which various non‐ideal factors such as aircraft crabbing, array errors, and internal clutter motion with all possible levels in practice are all considered. Then, a multi‐layer two‐dimensional convolutional neural network (CNN) is developed. In this CNN, low‐resolution angle‐Doppler profiles estimated by a few training samples are used for the input and the high‐resolution counterpart obtained by the exact CCMs are utilized for the labels. Once trained, the CNN can be used to predict the high‐resolution angle‐Doppler profile using a few measured data in near real time. The high‐resolution clutter spectrum can be further calculated using the space‐time steering dictionary and the above obtained profile. Finally, the CCM of the measured data can be constructed and the space‐time weight vector can also be achieved. Compared with recently developed sparsity‐based STAP methods, the performance of the proposed method is better and the computational load of it is far fewer, and therefore more suitable for real‐world implementation. The simulation results have demonstrated the superiority of the proposed method in both clutter suppression performance and computation efficiency.
Bearing fault diagnosis based on multi‐band filtering
Authors: Lu Yixiang , Song Zhihong , Gao Qingwei , Zhu De , Sun Dong
Published: November 2021

Bearing is an important part of rotary machinery, which usually operates under a variety of complicated and severe conditions, and is prone to break down. To reduce and prevent the loss caused by the fault of bearings, a method based on multi‐band filtering (MBF) is proposed and applied to bearing fault diagnosis in this paper. Bearing signal is decomposed into multiple sub‐band signals by an MBF constructed from a specific prototype filter (finite impulse response filter) through cosine modulation. Then, the required sub‐band can be selected adaptively according to bearing fault frequency. To make the fault frequency more prominent, an adaptive filtering method is exploited to reduce the noise contained in the selected sub‐band. Finally, bearing fault diagnosis is realized by envelope spectrum analysis. Experimental results show that better performance in both simulated and real data are achieved by the proposed algorithm, which indicates that the proposed method can realize bearing fault diagnosis efficiently when compared to other state of the art methods.
Device simulation of all-perovskite four-terminal tandem solar cells: towards 33% efficiency
Authors: Singh Ajay , Gagliardi Alessio
Published: November 2021

Inorganic–organic hybrid perovskites offer wide optical absorption, long charge carrier diffusion length, and high optical-to-electrical conversion, enabling more than 25% efficiency of single-junction perovskite solar cells. All-perovskite four-terminal (4T) tandem solar cells have gained great attention because of solution-processability and potentially high efficiency without a need for current-matching between subcells. To make the best use of a tandem architecture, the subcell bandgaps and thicknesses must be optimized. This study presents a drift-diffusion simulation model to find optimum device parameters for a 4T tandem cell exceeding 33% of efficiency. Optimized subcell bandgaps and thicknesses, contact workfunctions, charge transport layer doping and perovskite surface modification are investigated for all-perovskite 4T tandem solar cells. Also, using real material and device parameters, the impact of bulk and interface traps is investigated. It is observed that, despite high recombination losses, the 4T device can achieve very high efficiencies for a broad range of bandgap combinations. We obtained the best efficiency for top and bottom cell bandgaps close to 1.55 eV and 0.9 eV, respectively. The optimum thickness of the top and bottom cells are found to be about 250 nm and 450 nm, respectively. Furthermore, we investigated that doping in the hole transport layers in both the subcells can significantly improve tandem cell efficiency. The present study will provide the experimentalists an optimum device with optimized bandgaps, thicknesses, contact workfunctions, perovskite surface modification and doping in subcells, enabling high-efficiency all-perovskite 4T tandem solar cells.
Blockchain-Based Consumer Stock Ownership Plans (CSOP) As a Catalyst For Impact Investments in Sustainable Energy Infrastructure
Authors: Fortkort Martin , Finke Sebastian , Severengiz Semih
Published: November 2021

The challenges of climate change and lack of access to electricity create an urgent need for sustainable energy infrastructure projects in developing countries. Sustainable impact investment schemes are a potential catalyst to finance such projects. A particularly sustainable financing option can be the Consumer Stock Ownership Plan (CSOP), combining the interests of impact investors and the local population. The infrastructure, e.g., a sustainable energy mini-grid, is owned by the investors and the local population at the same time. The population thus benefits from access to electricity and active participation in energy supply, while investors benefit from new forms of investment with social impact. However, CSOP is a complex model that requires a secure organisation and infrastructure. By integrating blockchain technology, the organisational structure of the model can be automatically managed via smart contracts, reducing the influence of intermediary institutions. This makes the investment more secure, transparent, and efficient. The paper outlines a concept for an impact investment CSOP model coupled with blockchain-based smart contracts as a scalable solution for sustainable energy infrastructure projects, in which the ownership of the infrastructure is transferred to the community over time. The model considers all relevant parameters before, during and after the life cycle of the energy infrastructure and aims to secure a sustainable long-term energy supply in developing countries through self-administration, educational measures, and participation of all stakeholders. In the next step, the concept developed in this paper will be applied to an energy infrastructure pilot project at the Don Bosco Solar and Renewable Energy Centre in Ghana.
Performance measurement using a novel directional distance function based super efficiency model and neighbourhood theory
Authors: Sarkar Subhadip
Published: November 2021

This paper entails a systematic approach for measuring the Super Efficiency Scores of a set of rival firms. This evaluation process is dependent on the location of the worst Decision-Making Unit retained by the technology set. Unlike antecedent researches, the worst point is selected from a predefined neighbourhood with an application of a linear model. Finally, the new Super Efficiency model measures the Efficiency score while embedding the worst point within the direction vector. This two-stage model is akin to the standard form of a Directional Distance Function and does not end up with problems of infeasibility, negative data or zero data. In other words, the method is found robust to classify the Decision Making Units into the Super-Efficient, Strongly Efficient, Weakly Efficient and Inefficient groups. Two cases once addressed by Seiford and Zhu [INFORS 37 (1999) 174–187.] and Byrnes et al. [Manag. Sci. 30 (1984) 671–681.] are illustrated here to explore the functionality of the model in comparison to a few renowned ones.
Psychische Folgen der COVID-19 Pandemie und potenzielles
Suchtverhalten
Authors: Wölfling Klaus , Wurst Friedrich Martin
Published: November 2021

Liebe Leserinnen und Leser,

eine kurze Rückschau: vor gar nicht so langer Zeit am 11. März
2020 erklärte die Weltgesundheitsorganisation die globale Ausbreitung
des COVID-19 Virus zu einer Pandemie.
Blick in die Glaskugel – Zukunft der Therapieberufe
Authors: Höppner Heidi
Published: November 2021

Acht Ergo-und Physiotherapeut*innen, die an der Alice Salomon Hochschule Berlin berufsbegleitend studieren, setzten sich mit Zukunftsszenarien ihrer Berufe auseinander und stellten sich unter anderem folgende Fragen: Welche Faktoren beeinﬂussen die Arbeit von Therapeut*innen in 10, 15 oder 25 Jahren? Was sind treibende, die Entwicklung der Berufe beeinﬂussende Faktoren im Gesundheitssystem? Ziel war es, den Status quo zu verstehen sowie Ansätze für mögliche Zukunftsszenarien zu erkennen.
Licht ins Dunkel bringen – Dark Side of Occupation
Authors: Mischner Julia
Published: November 2021

Drogen nehmen, sexuelle Dienstleistungen anbieten oder containern gehen – diese Betätigungen gehören zu den „Dark Occupations“, die für Ergotherapie und Occupational Science bisher eher im Verborgenen lagen. Erweitern Sie Ihr Bewusstsein für Betätigungen, bei denen die Gesundheitsförderung nicht immer wie gewohnt im Vordergrund steht.
Synthesis of Enantiomerically Pure Oxa[9]helicene Derivatives by a Nucleophilic Cyclodehydration Reaction of Helical 1,1′-Bibenzo[c]phenanthrenylidene-2,2′-dione
Authors: Hossain Md. Sharif , Karikomi Michinori , Akter Mahmuda , Shahabuddin Mohammad , Salim Mohammad , Iimura Ken-ichi
Published: November 2021

Enantiomerically pure 9-substituted 11-oxa[9]helicene derivatives have been synthesized through furan-ring formation by a nucleophilic cyclodehydration reaction of enantiomerically pure helical polycondensed 2,2′-diphenoquinone derivatives (1,1′-bibenzo[c]phenanthrenylidene-2,2′-diones). (P)-2,2′-diphenoquinone derivatives afforded (P)-oxa[9]helicenes, whereas (M)-2,2′-diphenoquinone derivatives afforded the corresponding (M)-oxa[9]helicenes. Therefore, the ring-closing reaction afforded the corresponding enantiomerically pure products without decreasing the enantiomeric excess, and it proceeded stereospecifically with retention of the configuration. The thermal stability of an oxa[9]helicene was studied by determining the decrease in its enantiomeric excess at various temperatures, and its racemization barrier was found to be 165.6 kJ/mol.
Evaluation of the structural, electronic, optical, elastic, mechanical, and vibrational properties of graphene-like g-GaN using density functional theory
Authors: Tse Geoffrey
Published: November 2021

In this work, the structural, electronic, optical, elastic, mechanical, and vibrational properties of the graphene-like gallium nitride (g-GaN) were investigated using hybrid functionals. The results of this study showed that g-GaN is a direct bandgap semiconductor and the bandgap of HSE03 GGA (Generalized Gradient Approximation) is found to be 2.301 eV (1.387 eV). The HSE03 functional corrected the band structure over the GGA functional. The full explanations for the reported band structure’s valence band maximums and conduction band minimums can be provided with the partial density of states. The outcomes of this study showed that the reflectivity reduction of such two-dimensional material is just above 50%. In addition, the absorption spectra clearly speculate that one of these materials could be used to produce light emitting devices covering the vacuum range. The g-GaN was found to be brittle and ionic-covalent in nature. Finally, this study showed that the phonon dispersion can clearly explain the stability issue over the graphene-like phase. The findings of the current work will be useful in exploring the potential applications of g-GaN such as in optoelectronic devices.
Acoustic cavitation model based on a novel reduced order gas pressure law
Authors: Delale Can F. , Pasinlioğlu Şenay
Published: November 2021

The thermal behavior of a spherical gas bubble in a liquid excited by an acoustic pressure signal is investigated by constructing an iterative solution of the energy balance equations between the gas bubble and the surrounding liquid in the uniform pressure approximation. This iterative solution leads to hierarchy equations for the radial partial derivatives of the temperature at the bubble wall, which control the temporal rate of change of the gas pressure and gas temperature within the bubble. In particular, a closure relation for the hierarchy equations is introduced based on the ansatz that approximates the rapid change of state during the collapse of the bubble from almost isothermal to almost adiabatic behavior by time averaging the complex dynamics of change of state over a relatively short characteristic time. This, in turn, leads to the desired reduced order gas pressure law exhibiting power law dependence on the bubble wall temperature and on the bubble radius, with the polytropic index depending on the isentropic exponent of the gas and on a parameter that is a function of the Péclet number and a characteristic time scale. Results of the linear theory for gas bubbles are recovered by identifying this parameter as a function of the Péclet number based on the Minnaert frequency. The novel gas pressure law is then validated against the near-isothermal solution and against the results of the numerical simulations of the original energy balance equations for large amplitude oscillations using spectral methods. Consequently, an acoustic cavitation model that accounts for phase change but that neglects mass diffusion is constructed by employing the reduced order gas pressure law together with the Plesset–Zwick solution for the bubble wall temperature and the Keller–Miksis equation for spherical bubble dynamics. Results obtained using variable interface properties for acoustically driven cavitation bubbles in water show that the time variations of the bubble radius and the bubble wall temperature lie between those obtained by the isothermal and adiabatic laws depending on the value of the Péclet number and the characteristic time scale.
Born’s valence force-field model for diamond at terapascals: Validity and implications for the primary pressure scale
Authors: Hu Qingyang , Mao Ho-kwang
Published: November 2021

Born’s valence force-field model (VFM) established a theoretical scheme for calculating the elasticity, zero-point optical mode, and lattice dynamics of diamond and diamond-structured solids. In particular, the model enabled the derivation of a numerical relation between the elastic moduli and the Raman-active F2g mode for diamond. Here, we establish a relation between the diamond Raman frequency ω and the bulk modulus K through first-principles calculation, rather than extrapolation. The calculated K exhibits a combined uncertainty of less than 5.4% compared with the results obtained from the analytical equation of the VFM. The results not only validate Born’s classic model but also provide a robust K–ω functional relation extending to megabar pressures, which we use to construct a primary pressure scale through Raman spectroscopy and the crystal structure of diamond. Our computations also suggest that currently used pressure gauges may seriously overestimate pressures in the multi-megabar regime. A revised primary scale is urgently needed for such ultrahigh pressure experiments, with possible implications for hot superconductors, ultra-dense hydrogen, and the structure of the Earth’s core.
The Way It Used to Be
Authors: Lock Frank
Published: November 2021

“The Way It Used to Be” includes seven editorials and appreciations dealing with comparisons between past teaching experiences and the present classroom situation. “Auld Lang Syne” is a fictitious encounter between a well-experienced educator and a much younger one. In “Is This Generation Different?,” Cliff describes how students changed over a ten-year period. He used a spelling familiar to physics teachers of the word fun in “Physics Isn't All Phun” and laments the lack of hard work on the part of the students with whom he worked. In “Too Much, Too Fast, Too Soon,” Cliff writes of making college physics students “glassy-eyed.” “The Uniform of the Day” is a brief representation of the culture of physics. Measures used to test the validity or merit of a concept are examined in “Touchstones,” and in “Justifying Atoms,” Cliff examines the value of having younger students attempt an understanding of atomic theory.