bluuebunny/crossref_metadata_2025 huggingface dataset:
A Modified Vegetation Photosynthesis and Respiration Model (VPRM) for the Eastern USA and Canada, Evaluated With Comparison to Atmospheric Observations and Other Biospheric Models
Authors: Gourdji Sharon M. , Karion Anna , Lopez‐Coto Israel , Ghosh Subhomoy , Mueller Kimberly L. , Zhou Yu , Williams Christopher A. , Baker Ian T. , Haynes Katharine D. , Whetstone James R.
Published: November 2021

Atmospheric CO2 measurements from a dense surface network can help to evaluate terrestrial biosphere model (TBM) simulations of Net Ecosystem Exchange (NEE) with two key benefits. First, gridded CO2 flux estimates can be evaluated over regional scales, not possible using flux tower observations at discrete locations for model evaluation. Second, TBM ability to explain atmospheric CO2 fluctuations due to the biosphere can be directly tested, an important objective for anthropogenic emissions monitoring using atmospheric observations. Here, we customize the Vegetation Photosynthesis and Respiration Model (VPRM) for an eastern North American domain with strong biological activity upwind of urban areas. Parameters are optimized using flux tower observations from a historical database with sites in (and near) the domain. In addition, the respiration model (originally a linear function of temperature) is modified to account for impacts of changing foliage, non‐linear temperature, and water stress. Flux estimates from VPRM, the Carnegie‐Ames‐Stanford Approach (CASA) model and the Simple Biosphere Model v4 (SiB4), are convolved with footprints from atmospheric transport models for evaluation with CO2 observations at 21 towers in the domain, with roughly half of the towers used here for the first time. Results show that the new respiration model in VPRM helps to correct a growing season sink bias in the atmosphere associated with underestimated summertime respiration using the original model with annual parameters. The new VPRM also better explains fine‐scale atmospheric CO2 variability compared to other TBMs, due to higher resolution diagnostic phenology, the new respiration model, domain‐specific parameters, and high‐quality input data sets.
Solar EUV‐Enhancement and Thermospheric Disturbances
Authors: Briand C. , Doerksen K. , Deleflie F.
Published: November 2021

The increase of energetic electromagnetic flux during solar flares and particle precipitation during geomagnetic activity are among the most important sources of neutral density disturbances to the Earth's thermosphere. However, disentangling the role of X and EUV radiation during solar flares is difficult due to the rarity of sufficiently isolated EUV‐enhancements. Past work investigating the role of EUV‐enhancements has been based on simulations only. This study focuses on the analysis of the response of the thermosphere to relatively long‐lasting (between 1 and 2 days) EUV‐enhancements. These events take place in isolation from coronal mass ejections, but often occur during the recovery phase of flare events. Using the Gravity Recovery and Climate Experiment and Challenging Minisatellite Payload accelerometer‐derived density datasets, we show that the EUV‐enhancements slow the thermosphere's recovery from a flare, and maintain a high level density perturbation “plateau” lasting several hours. The level of disturbance was found to be between 30% and 70% compared to the thermosphere's density without any disturbance. The duration of this plateau is long enough that it may be important for estimating satellite drag. Over the duration of the EUV‐enhancements, Dst drops are also observed, indicating ring current activity. The proposed physical mechanism driving the Dst changes is linked to the increased production of O+ ions of ionospheric origin, which may occur over the EUV‐enhancement period.
A measured energy use, solar production, and building air leakage dataset for a zero energy commercial building
Authors: Agee Philip , Nikdel Leila , Roberts Sydney
Published: November 2021

This paper provides an open dataset of measured energy use, solar energy production, and building air leakage data from a 328 m2 (3,531 ft2) all-electric, zero energy commercial building in Virginia, USA. Over two years of energy use data were collected at 1-hour intervals using circuit-level energy monitors. Over six years of solar energy production data were measured at 1-hour resolution by 56 microinverters (presented as daily and monthly data in this dataset). The building air leakage data was measured post-construction per ASTM-E779 Standard Test Method for Determining Air Leakage Rate by Fan Pressurization and the United States Army Corps (USACE) Building Enclosure Testing procedure; both pressurization and depressurization results are provided. The architectural and engineering (AE) documents are provided to aid researchers and practitioners in reliable modeling of building performance. The paper describes the data collection methods, cleaning, and convergence with weather data. This dataset can be employed to predict, benchmark, and calibrate operational outcomes in zero energy commercial buildings.
BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds
Authors: Prasad Viki Kumar , Khalilian M. Hossein , Otero-de-la-Roza Alberto , DiLabio Gino A.
Published: November 2021

We present an extensive and diverse dataset of bond separation energies associated with the homolytic cleavage of covalently bonded molecules (A-B) into their corresponding radical fragments (A.﻿ and B.﻿). Our dataset contains two different classifications of model structures referred to as “Existing”(molecules with associated experimental data) and“Hypothetical”(molecules with no associated experimental data). In total, the dataset consists of 4502 datapoints (1969 datapoints from theExistingand 2533 datapoints from theHypotheticalclasses). The dataset covers 49 unique X-Y type single bonds (except H-H, H-F, and H-Cl), where X and Y are H, B, C, N, O, F, Si, P, S, and Cl atoms. All the reference data was calculated at the (RO)CBS-QB3 level of theory. The reference bond separation energies are non-relativistic ground-state energy differences and contain no zero-point energy corrections. This new dataset of bond separation energies (BSE49) is presented as a high-quality reference dataset for assessing and developing computational chemistry methods.
Long-term sequelae are highly prevalent one year after hospitalization for severe COVID-19
Authors: Bellan Mattia , Baricich Alessio , Patrucco Filippo , Zeppegno Patrizia , Gramaglia Carla , Balbo Piero Emilio , Carriero Alessandro , Amico Chiara Santa , Avanzi Gian Carlo , Barini Michela , Battaglia Marco , Bor Simone , Cantaluppi Vincenzo , Cappellano Giuseppe , Ceruti Federico , Chiocchetti Annalisa , Clivati Elisa , Giordano Mara , Cuneo Daria , Gambaro Eleonora , Gattoni Eleonora , Loro Alberto , Manfredi Marcello , Morosini Umberto , Murano Francesco , Paracchini Elena , Patti Giuseppe , Pinato David James , Raineri Davide , Rolla Roberta , Sainaghi Pier Paolo , Tricca Stefano , Pirisi Mario
Published: November 2021

Many coronavirus disease 2019 (Covid-19) survivors show symptoms months after acute illness. The aim of this work is to describe the clinical evolution of Covid-19, one year after discharge. We performed a prospective cohort study on 238 patients previously hospitalized for Covid-19 pneumonia in 2020 who already underwent clinical follow-up 4 months post-Covid-19. 200 consented to participate to a 12-months clinical assessment, including: pulmonary function tests with diffusing lung capacity for carbon monoxide (DLCO); post-traumatic stress (PTS) symptoms evaluation by the Impact of Event Scale (IES); motor function evaluation (by Short Physical Performance Battery and 2 min walking test); chest Computed Tomography (CT). After 366 [363–369] days, 79 patients (39.5%) reported at least one symptom. A DLCO < 80% was observed in 96 patients (49.0%). Severe DLCO impairment (< 60%) was reported in 20 patients (10.2%), related to extent of CT scan abnormalities. Some degree of motor impairment was observed in 25.8% of subjects. 37/200 patients (18.5%) showed moderate-to-severe PTS symptoms. In the time elapsed from 4 to 12 months after hospital discharge, motor function improves, while respiratory function does not, being accompanied by evidence of lung structural damage. Symptoms remain highly prevalent one year after acute illness.
AMMI and GGE biplot analysis for yield performance and stability assessment of selected Bambara groundnut (Vigna subterranea L. Verdc.) genotypes under the multi-environmental trials (METs)
Authors: Khan Md Mahmudul Hasan , Rafii Mohd Y. , Ramlee Shairul Izan , Jusoh Mashitah , Al Mamun Md
Published: November 2021

The stability and high yielding ofVigna subterraneaL. Verdc. genotype is an important factor for long-term development and food security. The effects of G × E interaction on yield stability in 30 Bambara groundnut genotypes in four different Malaysian environments were investigated in this research. The experiment used a randomized complete block design with three replications in each environment. Over multiple harvests, yield component traits such as the total number of pods per plant, fresh pods weight (g), hundred seeds weight (g), and yield per hectare were evaluated in the main and off-season in 2020 and 2021. Stability tests for multivariate stability parameters were performed based on analyses of variance. For all the traits, the pooled analysis of variance revealed highly significant (p < 0.01) variations between genotypes, locations, seasons, and genotypes by environment (G × E interaction). A two-dimensional GGE biplot was generated using the first two principal components (axis 1 and axis 2), which accounted for 94.97% and 3.11% difference in GEI for yield per hectare, respectively. Season and location were found to be the most significant causes of yield heterogeneity, accounting for 31.13% and 14.02% of overall G + E + G × E variation, respectively, according to the combined study of variance. The GGE biplot revealed that the three winning genotypes G1, G3, and G5 appear across environments whereas AMMI model exposed genotypes viz G18, G14, G7, G3, G1, and G5 as best performer. Based on ideal genotype ranking genotype G1 was the best performer, with a high mean yield and high stability in the tested environment. According to the AEC line, genotypes G1 and G3 were extremely stable, while genotypes G2 and G4 were low stable, with a high average yielding per hectare. A GGE and AMMI biplot graphically showed the interrelationships between the tested environment and genotypes, classified genotypes into three categories as well as simplifying visual evaluations, according to this investigation. According to our results, breeding could improve yield production, and the genotypes discovered could be recommended for commercial cultivation.
Finite element analysis relating shape, material properties, and dimensions of taenioglossan radular teeth with trophic specialisations in Paludomidae (Gastropoda)
Authors: Krings Wencke , Marcé-Nogué Jordi , Gorb Stanislav N.
Published: November 2021

The radula, a chitinous membrane with embedded tooth rows, is the molluscan autapomorphy for feeding. The morphologies, arrangements and mechanical properties of teeth can vary between taxa, which is usually interpreted as adaptation to food. In previous studies, we proposed about trophic and other functional specialisations in taenioglossan radulae from species of African paludomid gastropods. These were based on the analysis of shape, material properties, force-resistance, and the mechanical behaviour of teeth, when interacting with an obstacle. The latter was previously simulated for one species (Spekia zonata) by the finite-element-analysis (FEA) and, for more species, observed in experiments. In the here presented work we test the previous hypotheses by applying the FEA on 3D modelled radulae, with incorporated material properties, from three additional paludomid species. These species forage either on algae attached to rocks (Lavigeria grandis), covering sand (Cleopatra johnstoni), or attached to plant surface and covering sand (Bridouxia grandidieriana). Since the analysed radulae vary greatly in their general size (e.g. width) and size of teeth between species, we additionally aimed at relating the simulated stress and strain distributions with the tooth sizes by altering the force/volume. For this purpose, we also includedS. zonataagain in the present study. Our FEA results show that smaller radulae are more affected by stress and strain than larger ones, when each tooth is loaded with the same force. However, the results are not fully in congruence with results from the previous breaking stress experiments, indicating that besides the parameter size, more mechanisms leading to reduced stress/strain must be present in radulae.
Colour volumetric display based on holographic-laser-excited graphics using drawing space separation
Authors: Kumagai Kota , Miura Shun , Hayasaki Yoshio
Published: November 2021

A volumetric display generates a graphics that can be viewed from 360$$^{\circ }$$

∘

by representing the 3D information of an object as voxels in physical space. However, the natural properties of physical objects, such as 3D information and colors, and the seamless relationships between graphics and humans make it difficult to implement such displays. Here, we introduce a novel system that combines the spatial generation of femtosecond-laser-excited emission points using computer-generated holograms and beam scanning with the drawing space separation method. We demonstrate the drawing of volumetric graphics that can be color-expressed in voxel units in the air. This system enables the drawing of volumetric graphics in the air, accurate color representations, and robust graphics that are not destroyed by contact with users or objects. It also lays the foundation for the implementation of future volumetric displays.
A comprehensive breath test that confirms recent use of inhaled cannabis within the impairment window
Authors: DeGregorio Michael W. , Wurz Gregory T. , Montoya Edward , Kao Chiao-Jung
Published: November 2021

Legalization of cannabis for medicinal and/or recreational use is expanding globally. Although cannabis is being regulated country by country, an accurate recent use test with indisputable results correlated with impairment has yet to be discovered. In the present study, a new approach for determining recent cannabis use within the impairment window after smoking was developed by studying 74 subjects with a mean age of 25 years and average use history of 9 years. Horizontal gaze nystagmus was evaluated along with subject self-assessments of impairment, and blood and breath samples were collected before and after smoking cannabis. Breath and blood pharmacokinetic parameters and cannabinoid profiles determined recent use within the impairment window. No subjects were positive for recent use pre-smoking, although all subjects had detectable cannabinoids in breath samples. We describe an inhaled cannabis recent use test that correlates with impairment and helps protect against wrongful prosecution and workplace discrimination.
EZH2 presents a therapeutic target for neuroendocrine tumors of the small intestine
Authors: Barazeghi Elham , Hellman Per , Norlén Olov , Westin Gunnar , Stålberg Peter
Published: November 2021

Small intestinal neuroendocrine tumors (SI-NETs) are slow-growing tumors that seem genetically quite stable without highly recurrent mutations, but are epigenetically dysregulated. In contrast to the undetectable expression of the enhancer of zeste homolog 2 (EZH2) histone methyltransferase in the enterochromaffin cells of the small intestine, we found high and differential expression of EZH2 in primary SI-NETs and corresponding metastases. Silencing EZH2 in the SI-NET cell line CNDT2.5 reduced cell proliferation and induced apoptosis. Furthermore, EZH2 knockout inhibited tumor progression in a CNDT2.5 SI-NET xenograft mouse model, and treatment of SI-NET cell lines CNDT2.5 and GOT1 with the EZH2-specific inhibitor CPI-1205 decreased cell viability and promoted apoptosis. Moreover, CPI-1205 treatment reduced migration capacity of CNDT2.5 cells. The EZH2 inhibitor GSK126 also repressed proliferation of CNDT2.5 cells. Recently, metformin has received wide attention as a therapeutic option in diverse cancers. In CNDT2.5 and GOT1 cells, metformin suppressed EZH2 expression, and inhibited cell proliferation. Exposure of GOT1 three-dimensional cell spheroids to CPI-1205 or metformin arrested cell proliferation and decreased spheroid size. These novel findings support a possible role of EZH2 as a candidate oncogene in SI-NETs, and suggest that CPI-1205 and metformin should be further evaluated as therapeutic options for patients with SI-NETs.
An efficient method to improve the quality of tetrahedron mesh with MFRC
Authors: Ma Yuzheng , Wang Monan
Published: November 2021

In this paper, we proposed a novel operation to reconstruction tetrahedrons within a certain region, which we call MFRC (Multi-face reconstruction). During the existing tetrahedral mesh improvement methods, the flip operation is one of the very important components. However, due to the limited area affected by the flip, the improvement of the mesh quality by the flip operation is also very limited. The proposed MFRC algorithm solves this problem. MFRC can reconstruct the local mesh in a larger range and can find the optimal tetrahedron division in the target area within acceptable time complexity. Therefore, based on the MFRC algorithm, we combined other operations including smoothing, edge removal, face removal, and vertex insertion/deletion to develop an effective mesh quality improvement method. Numerical experiments of dozens of meshes show that the algorithm can effectively improve the low-quality elements in the tetrahedral mesh, and can effectively reduce the running time, which has important significance for the quality improvement of large-scale mesh.
The effect of pupil transmittance on axial resolution of reflection phase microscopy
Authors: Hyeon Min Gyu , Park Kwanjun , Yang Taeseok Daniel , Kong Taedong , Kim Beop-Min , Choi Youngwoon
Published: November 2021

A reflection phase microscope (RPM) can be equipped with the capability of depth selection by employing a gating mechanism. However, it is difficult to achieve an axial resolution close to the diffraction limit in real implementation. Here, we systematically investigated the uneven interference contrast produced by pupil transmittance of the objective lens and found that it was the main cause of the practical limit that prevents the axial resolution from reaching its diffraction limit. Then we modulated the power of illumination light to obtain a uniform interference contrast over the entire pupil. Consequently, we could achieve an axial resolution fairly close to the diffraction limit set by the experimental conditions.
Reduction in femoral neck and total hip bone mineral density following hospitalisation for diabetes-related foot ulceration
Authors: Nejatian Marcel M. , Sobhi Salar , Sanchez Blake N. , Linn Kathryn , Manning Laurens , Soh Shuen-Chyn , Hiew Jonathan , Ritter J. Carsten , Yeap Bu B. , Hamilton Emma J.
Published: November 2021

Management of diabetes-related foot ulceration (DFU) includes pressure offloading resulting in a period of reduced activity. The metabolic effects of this are unknown. This study aims to investigate changes in bone mineral density (BMD) and body composition 12 weeks after hospitalisation for DFU. A longitudinal, prospective, observational study of 22 people hospitalised for DFU was conducted. Total body, lumbar spine, hip and forearm BMD, and total lean and fat mass were measured by dual-energy X-ray absorptiometry (DXA) during and 12 weeks after hospitalisation for DFU. Significant losses in total hip BMD of the ipsilateral limb (− 1.7%, p < 0.001), total hip BMD of the contralateral limb (− 1.4%, p = 0.005), femoral neck BMD of the ipsilateral limb (− 2.8%, p < 0.001) and femoral neck BMD of the contralateral limb (− 2.2%, p = 0.008) were observed after 12 weeks. Lumbar spine and forearm BMD were unchanged. HbA1c improved from 75 mmol/mol (9.2%) to 64 mmol/mol (8.0%) (p = 0.002). No significant changes to lean and fat mass were demonstrated. Total hip and femoral neck BMD decreased bilaterally 12 weeks after hospitalisation for DFU. Future research is required to confirm the persistence and clinical implications of these losses.
Ancient visual channels have a causal role in arithmetic calculations
Authors: Saban William , Sklar Asael Y. , Hassin Ran R. , Gabay Shai
Published: November 2021

Humans exhibit complex arithmetic skills, often attributed to our exceptionally large neocortex. However, the past decade has provided ample evidence that the functional domain of the subcortex extends well beyond basic functions. Using a sensitive behavioral method, for the first time, we explored the contributions of lower-order visual monocular channels to symbolic arithmetic operations, addition and subtraction. The pattern of results from 4 different experiments provides converging evidence for a causal relation between mental arithmetic and primitive subcortical regions. The results have major implications for our understanding of the neuroevolutionary development of general numerical abilities–subcortical regions, which are shared across different species, are essential to complex numerical operations. In a bigger conceptual framework, these findings and others call for a shift from the modal view of the exclusive role of the neocortex in high-level cognition to a view that emphasizes the interplay between subcortical and cortical brain networks.
Dynamic models of stress-smoking responses based on high-frequency sensor data
Authors: Hojjatinia Sahar , Daly Elyse R. , Hnat Timothy , Hossain Syed Monowar , Kumar Santosh , Lagoa Constantino M. , Nahum-Shani Inbal , Samiei Shahin Alan , Spring Bonnie , Conroy David E.
Published: November 2021

Self-reports indicate that stress increases the risk for smoking; however, intensive data from sensors can provide a more nuanced understanding of stress in the moments leading up to and following smoking events. Identifying personalized dynamical models of stress-smoking responses can improve characterizations of smoking responses following stress, but techniques used to identify these models require intensive longitudinal data. This study leveraged advances in wearable sensing technology and digital markers of stress and smoking to identify person-specific models of stress and smoking system dynamics by considering stress immediately before, during, and after smoking events. Adult smokers (n = 45) wore the AutoSense chestband (respiration-inductive plethysmograph, electrocardiogram, accelerometer) with MotionSense (accelerometers, gyroscopes) on each wrist for three days prior to a quit attempt. The odds of minute-level smoking events were regressed on minute-level stress probabilities to identify person-specific dynamic models of smoking responses to stress. Simulated pulse responses to a continuous stress episode revealed a consistent pattern of increased odds of smoking either shortly after the beginning of the simulated stress episode or with a delay, for all participants. This pattern is followed by a dramatic reduction in the probability of smoking thereafter, for about half of the participants (49%). Sensor-detected stress probabilities indicate a vulnerability for smoking that may be used as a tailoring variable for just-in-time interventions to support quit attempts.
Vibrational spectroscopy analysis of ligand efficacy in human M2 muscarinic acetylcholine receptor (M2R)
Authors: Katayama Kota , Suzuki Kohei , Suno Ryoji , Kise Ryoji , Tsujimoto Hirokazu , Iwata So , Inoue Asuka , Kobayashi Takuya , Kandori Hideki
Published: November 2021

The intrinsic efficacy of ligand binding to G protein-coupled receptors (GPCRs) reflects the ability of the ligand to differentially activate its receptor to cause a physiological effect. Here we use attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy to examine the ligand-dependent conformational changes in the human M2 muscarinic acetylcholine receptor (M2R). We show that different ligands affect conformational alteration appearing at the C=O stretch of amide-I band in M2R. Notably, ATR-FTIR signals strongly correlated with G-protein activation levels in cells. Together, we propose that amide-I band serves as an infrared probe to distinguish the ligand efficacy in M2R and paves the path to rationally design ligands with varied efficacy towards the target GPCR.
Observing light-induced Floquet band gaps in the longitudinal conductivity of graphene
Authors: Broers Lukas , Mathey Ludwig
Published: November 2021

Floquet engineering presents a versatile method of dynamically controlling material properties. The light-induced Floquet-Bloch bands of graphene feature band gaps, which have not yet been observed directly. We propose optical longitudinal conductivity as a realistic observable to detect light-induced Floquet band gaps in graphene. These gaps manifest as resonant features in the conductivity, when resolved with respect to the probing frequency and the driving field strength. The electron distribution follows the light-induced Floquet-Bloch bands, resulting in a natural interpretation as occupations of these bands. Furthermore, we show that there are population inversions of the Floquet-Bloch bands at the band gaps for sufficiently strong driving field strengths. This strongly reduces the conductivity at the corresponding frequencies. Therefore our proposal puts forth not only an unambiguous demonstration of light-induced Floquet-Bloch bands, which advances the field of Floquet engineering in solids, but also points out the control of transport properties via light, that derives from the electron distribution on these bands.
Quaternary ammonium substituted pullulan accelerates wound healing and disinfectsStaphylococcus aureusinfected wounds in mouse through an atypical ‘non-pore forming’ pathway of bacterial membrane disruption
Authors: Roy Shounak , Kumari Monika , Haloi Prakash , Chawla Saurabh , Konkimalla V. Badireenath , Kumar Ajith , Kashyap Hemant K. , Jaiswal Amit
Published: November 2021

Anionic lipid clustering and membrane depolarization mediated bactericidal action of quaternized pullulan towards wound disinfection and healing.
Near-infrared-II light excitation thermosensitive liposomes for photoacoustic imaging-guided enhanced photothermal-chemo synergistic tumor therapy
Authors: Dai Yeneng , Du Wenyu , Gao Diya , Zhu Haowei , Zhang Fan , Chen Kai , Ni Haiyang , Li Meixing , Fan Quli , Shen Qingming
Published: November 2021

Second near-infrared (NIR-II, 1064 nm) light excitation thermosensitive liposomes (DG@TLs) were fabricated for photoacoustic imaging (PAI) guided enhanced PTT–chemotherapy.
The case for a more precise definition of regulated PFAS
Authors: Wallington T. J. , Andersen M. P. Sulbaek , Nielsen O. J.
Published: November 2021

Many existing definitions of PFAS are overly broad, there is a strong case for a more precise definition of regulated PFAS.
Distinct fermentation of human milk oligosaccharides 3-FL and LNT2 and GOS/inulin by infant gut microbiota and impact on adhesion ofLactobacillus plantarumWCFS1 to gut epithelial cells
Authors: Kong Chunli , Akkerman Renate , Klostermann Cynthia E. , Beukema Martin , Oerlemans Marjolein M. P. , Schols Henk A. , de Vos Paul
Published: November 2021

Fermentation of hMOs 3-FL and LNT2 by infant gut microbiota is structure dependent and different from the commonly applied GOS/inulin, and the fermentation digesta may lead to differential potencies to stimulate the commensal bacteria colonizaiton.
Dietary gamma-aminobutyric acid ameliorates growth impairment and intestinal dysfunction in turbot (Scophthalmus maximusL.) fed a high soybean meal diet
Authors: Li Chaoqun , Tian Yuan , Ma Qinyuan , Zhang Beili
Published: November 2021

Dietary GABA could ameliorate high soybean meal diet induced growth impairment and intestine dysfunction in turbotviarelieving oxidative stress, inflammation, apoptosis and microbiota dysbiosis.
Interlayer hydrogen bond-assisted poly(perylene diimide) photocatalysts to improve the oxygen evolution under visible light
Authors: Feng Shufan , Wang Zhiqiang , Xu Huihui , Li Sifan , Gong Xueqing , Hua Jianli
Published: November 2021

The interlayer hydrogen bond-assisted poly(PDI) photocatalyst BU-PDI exhibits the highest oxygen evolution rate of 46.8 μmol h−1 under visible-light irradiation because its huge built-in electric field improves the charge separation and migration.
Synthesis of NaBH4 as a hydrogen carrier from hydrated borax using a Mg–Al alloy
Authors: Zhu Yongyang , Zhong Hao , Ouyang Liuzhang , Liu Jiangwen , Wang Hui , Shao Huaiyu , Zhu Min
Published: November 2021

We report a highly efficient synthesis of NaBH4 by optimizing the uses of a hydrogen source and low-cost Mg–Al alloy.
Progress of low-frequency sound absorption research utilizing intelligent materials and acoustic metamaterials
Authors: Chang Longfei , Jiang Ajuan , Rao Manting , Ma Fuyin , Huang Haibo , Zhu Zicai , Zhang Yu , Wu Yucheng , Li Bo , Hu Ying
Published: November 2021

In this review, the latest progress of intelligent materials incorporated with acoustic metamaterials is summarized to provide an impetus for this highly interdisciplinary advancement towards low-frequency sound absorption.
Bio-based, self-adhesive, and self-healing ionogel with excellent mechanical properties for flexible strain sensor
Authors: Zhang Yipeng , Xu Junhuai , Wang Haibo
Published: November 2021

Bio-based ionogels with versatile properties are highly desired for practical applications.
Co(ii), Ni(ii), Cu(ii) and Cd(ii)-thiocarbonohydrazone complexes: spectroscopic, DFT, thermal, and electrical conductivity studies
Authors: Fouad R. , Shaaban Ibrahim A. , Ali Tarik E. , Assiri Mohammed A. , Shenouda S. S.
Published: November 2021

New and stable coordinated compounds have been isolated in a good yield.
Dalpulapans A–E from the roots of Dalbergia stipulacea
Authors: Posri Priyapan , Sribuhom Thurdpong , Walunchapruk Sookkawath , Senawong Thanaset , Tontapha Sarawut , Amornkitbamrung Vittaya , Yenjai Chavi
Published: November 2021

Five new compounds, dalpulapans A–E (1–5), were isolated from the hexane extract of the roots of Dalbergia stipulacea Roxb.
Effects of urease inhibitors on enzymatic activities and fungal communities during the biosolids composting
Authors: Jiang Jishao , Wang Yang , Yu Dou , Li Jingyu , Han Jin , Cui Huilin , Cheng Ronghui , Yao Xing , Yan Guangxuan , Li Yunbei , Zhu Guifen
Published: November 2021

Adding UI was effective for nitrogen conservation and the increase of enzyme activity during biosolid composting.
Systematic characterization of metabolic profiles of ingenol in rats by UPLC-Q/TOF-MS and NMR in combination with microbial biotransformation
Authors: Xiao Si-Jia , Li Shan-Shan , Xie Bin , Chen Wei , Xu Xi-Ke , Zu Xian-Peng , Shen Yun-Heng
Published: November 2021

A total of 18 metabolites were identified in rat, and reference standards of metabolites (M2–M4) were further obtained by biotransformation of ingenol. Hydroxylation, oxygenation, sulfonation, and glucuronidation were major metabolic pathways.
Tracing the reactivity of single atom alloys for ethanol dehydrogenation using ab initio simulations
Authors: Iyer Jayendran , Jalid Fatima , Khan Tuhin S. , Haider M. Ali
Published: November 2021

A full DFT parameterized MKM is used to accurately predict the reactivity trend for ethanol dehydrogenation reaction on SAAs.
Organocatalytic enantioselective SN1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters
Authors: Zhu Wen-Run , Su Qiong , Deng Xiao-Yi , Liu Jia-Sheng , Zhong Tao , Meng Shan-Shui , Yi Ji-Tao , Weng Jiang , Lu Gui
Published: November 2021

A highly general and straightforward approach to access chiral bis(indolyl)methanes (BIMs) bearing quaternary stereocenters has been realizedviaenantioconvergent dehydrative nucleophilic substitution.
Smectic free-standing films under fast lateral compression
Authors: Klopp Christoph , Trittel Torsten , Harth Kirsten , Stannarius Ralf
Published: November 2021

Smectic films in a collapsing catenoid develop spontaneous wrinkling patterns like solid sheets.
Correction: Clickable iron oxide NPs based on catechol derived ligands: synthesis and characterization
Authors: Pozo-Torres Esther , Caro Carlos , Avasthi Ashish , Páez-Muñoz Jose María , García-Martín María Luisa , Fernández Inmaculada , Leal Manuel Pernia
Published: November 2021

Correction for ‘Clickable iron oxide NPs based on catechol derived ligands: synthesis and characterization’ by Esther Pozo-Torres et al., Soft Matter, 2020, 16, 3257–3266, DOI: 10.1039/C9SM02512J.
Regulating the heteroatom doping in metallogel-derived Co@dual self-doped carbon onions to maximize electrocatalytic water splitting
Authors: Saha Ekata , Karthick Kannimuthu , Kundu Subrata , Mitra Joyee
Published: November 2021

The effect of systematic heteroatom doping on carbon-coated metal nanoparticles in enhancing electrocatalytic OER activity was explored using a series of homogeneously dispersed cobalt nanoparticles encased in N,O-dual self-doped carbon onions.
Liquid-phase catalytic growth of graphene
Authors: Tian Pin , Tang Libin , Xiang Jinzhong , Lau Shu Ping , Yuan Shouzhang , Yang Dengquan , Li Lain-Jong , Teng Kar Seng
Published: November 2021

The liquid-phase catalytic growth of graphene is suitable for mass production with environment-friendliness, high yield, low cost and a wide choice of substrates.
The effect of molecular isomerism on the induced circular dichroism of cadmium sulfide quantum dots
Authors: Joh Yoonbin A. , Kwon Yuri H. , Tannir Shambhavi , Leonard Brian M. , Kubelka Jan , Varga Krisztina , Balaz Milan
Published: November 2021

We studied CdS QDs capped with chiral epimers, structural analogs, and positional isomers and determined that match/mismatch stereo-effects together with position and type of functional group affect the optical and chiroptical properties of CdS.
Improvement in the output performance of polyethylene oxide-based triboelectric nanogenerators by introducing core–shell Ag@SiO2 particles
Authors: Liu Xu , Sun Xiao-Rong , Luo Chen , Ma Hong-Zhi , Yu Hua , Shao Yan , Yang Ming-Bo , Yin Bo
Published: November 2021

PEO/Ag@SiO2 composite-based triboelectric nanogenerators (TENGs) are prepared by a solution-casting method. The sustainable TENG can bring promising prospects for recyclable power-supply systems to realize sustainable operation of micro/nano-systems.
Data‐driven flight time prediction for arrival aircraft within the terminal area
Authors: Zhang Junfeng , Peng Zihan , Yang Chunwei , Wang Bin
Published: November 2021

Predicting the arrival aircraft's flight time plays a critical role in effectively optimizing and scheduling spatial‐temporal resources in the terminal airspace. This paper focuses on a data‐driven method for predicting the arrival flight time. First, based on the existing research, a feature set is constructed from four aspects: initial state, arrival pressure, sequencing pressure, and wind information, which are believed to affect arrival flight time significantly. Second, eight widely used models are developed to predict flight time, including linear regression models, nonlinear regression models, and tree‐based ensemble models. Furthermore, the stacking technique is adopted to improve the prediction performance. Finally, take Guangzhou Baiyun International Airport as a study case to verify the proposed method's effectiveness. The results indicate that the arrival pressure (describing the arrival traffic demand) and the sequencing pressure (sketching the arrival traffic distribution) could effectively improve the prediction accuracy. The mean absolute percentage error of the predicted flight time via ATAGA and IGONO can be increased by 1%. Besides, the proposed method of extracting wind data could also improve the prediction performance. The mean absolute error of the predicted flight time via GYA can be reduced by 4.85 s.
Equal weighted cost function based weighting factor tuning method for model predictive control in power converters
Authors: Guler Naki , Bayhan Sertac , Komurcugil Hasan
Published: November 2021

An equal‐weighted cost function‐based weighting factor tuning method for model predictive control (MPC) in power converters is presented here. In conventional MPC methods developed for power converters, the use of weighting factors is a necessity to determine the importance of sub‐terms in multi‐objective cost functions. The proposed method is based on equalizing the importance of cost terms by using normalized values rather than the actual values. As a consequence of normalized values, all sub‐terms are transformed into a similar range independent from their actual values. Hence, the weights of cost terms are equalized, leading to the elimination of weighting factor tuning necessity. The proposed equal‐weighted cost function not only offers simplicity in the MPC design but also guarantees the desired controller performance with the dynamically weighted sub‐terms. The proposed control method is validated on a grid‐connected single‐phase three‐level T‐type inverter. Experimental results are carried out to demonstrate the effectiveness of the proposed method under steady‐state and dynamic conditions. Moreover, the comparative results with the conventional MPC are presented. The results reveal that the proposed approach exhibits excellent performance against the variations in the operating point of the inverter.
Abundance of zirconium in the globular cluster 47 Tucanae: a possible Zr–Na correlation?
Authors: Kolomiecas E. , Dobrovolskas V. , Kučinskas A. , Bonifacio P. , Korotin S.
Published: November 2021

We determined abundances of Na and Zr in the atmospheres of 237 RGB stars in Galactic globular cluster (GGC) 47 Tuc (NGC 104), with a primary objective of investigating possible differences between the abundances of Zr in the first generation (1P) and second generation (2P) stars. For the abundance analysis, we used archival UVES/GIRAFFE spectra obtained during three different observing programmes. Abundances were determined from two Na I and three Zr I lines, using 1D hydrostatic ATLAS9 model atmospheres. The target stars for the abundance analysis were limited to those with 4200 ≤ Teff ≤ 4800 K. This is the largest sample of GGC stars in which Na and Zr abundances have been studied so far. While our mean [Na/Fe] and [Zr/Fe] ratios agree well with those determined in the earlier studies, we find a weak but statistically significant correlation in the [Zr/Fe] – [Na/Fe] plane. A comparison of the mean [Zr/Fe] abundance ratios in the 1P and 2P stars suggests a small but statistically significant Zr over-abundance in the 2P stars, ∆[Zr/Fe]2P−1P ≈ +0.06 dex. Also, our analysis shows that stars enriched in both Zr and Na are more centrally concentrated. However, we find no correlation between their distance from the cluster centre and their full spatial velocity, as indicated by the velocity dispersions at different mean values of [Zr/Fe] and [Na/Fe]. While there may be some influence of CN line blends on the determined Zr abundances, it seems very unlikely that the detected Zr–Na correlation, for the slightly higher Zr abundances in the 2P stars, would be caused by the CN blending alone. The obtained results indicate that, in 47 Tuc, some amount of Zr should have been synthesised by the same polluters that enriched 2P stars with the light elements. While sizeable amounts of Zr may be synthesised by both AGB stars (M ~ 1.5–5 M⊙) and massive rotating stars (M ~ 12–25 M⊙, υrot > 150 km s−1), our data alone do not allow us to distinguish which of the two scenarios, or whether or not a combination of both, could have operated in this GGC.
Verification and validation of a CFD model of a fixed regenerator for heat recovery from air
Authors: Penev Angel , Tsokov Lyubomir , Vassilev Momchil
Published: November 2021

The article presents verification and validation of a numerical model of conjugated heat and mass transfer processes and aerodynamics in a fixed "honeycomb" type regenerator with square channels for heat recovery from the exhaust air of a local ventilation system. The processes in the regenerator are simulated by the CFD method. The influence of the processes of condensation and evaporation of moisture in the humid air on the efficiency of the regenerator has been investigated through these simulations and is shown in the article. The calculations of the fixed regenerator's thermal efficiency and pressure losses are made by known analytical models and the results are compared with those of the numerical model. The article compares the model simulation results with experimental data and data from reference sources.
The specificity of adaptation of future engineers to pandemic conditions on labor market: A gender perspective
Authors: Makarenko Ekaterina Igorevna , Prokhorova Irina Gennadievna , Naushabaeva Asem Hekimoglu
Published: November 2021

The paper is based on the advance studies of the adaptation of MADI students, future engineers, to the conditions of a forced pandemic associated with the COVID-19 virus. At the first stage of the study (spring 2020), using the content analysis method, the main directions of adaptation and the patterns of future engineers were identified: educational activity, social responsibility, social communication, financial constraints that arose during the period of a sharp change in learning activity, and also the specificity of changes in the place and living conditions, including moving to another region of Russia. At the second stage (spring 2021), using the semi-formalized interview method, a survey of students of the same technical university was conducted about the difficulties faced by boys and girls at the beginning of the pandemic, based on the previously identified directions of adaptation. The results of the study have shown a gender difference in understanding the difficulties of forced adaptation to the conditions of a modern pandemic: girls adapted better to school. The specificity of gender adaptation will help to predict the behavior of graduates of technical universities on labor market in the future.
Is Coronavirus a new business reality facilitator?
Authors: Kim Yulia Vitalievna
Published: November 2021

This article considers the spread of the SARS-CoV-2 virus, known as the COVID-19 pandemic, to have far-reaching consequences in terms of employment, production of goods and services worldwide. The article aims to research the dynamics of changes in attitudes towards the disease resulting in reshaping labor market strategies worldwide which include forming stay-at-home economy, digitization of business operations and emerging start-ups to facilitate delivering and consuming goods and services. A few research designs are used in this article with quantitative and case studies being major methods. The main results of this research allow one to associate coronavirus disease with a new business reality facilitator in the global economy rather than a mere risk factor. The topicality and urgency of this article are based on the novelty of the pandemic itself having started less than 2 years ago. This research may be helpful for upcoming fundamental studies in the field of 21st-century global emergencies.
Krafttraining mit Kindern und Jugendlichen
Authors: Roth Ralf , Minghetti Alice , Faude Oliver
Published: November 2021

Krafttraining für Kinder wird oft kritisch gesehen. Dabei gibt es viele gute Argumente, warum schon die Kleinen damit beginnen sollten. Ein Plädoyer.
Risk Factors for Anastomotic Leak, Consideration for Proximal Diversion, and Appropriate Use of Drains
Authors: Favuzza Joanne
Published: November 2021

Anastomotic leaks are a major source of morbidity after colorectal surgery. There is a myriad of risk factors that may contribute to anastomotic leaks. These risk factors can be categorized as modifiable, nonmodifiable, and intraoperative factors. Identification of these risk factors allows for preoperative optimization that may minimize the risk of anastomotic leak. Knowledge of such high-risk features may also affect intraoperative decision-making regarding the creation of an anastomosis, consideration for proximal diversion, or placement of a drain. A thorough understanding of the interplay between risk factors, indications for proximal diversion, and utility of drain placement is imperative for colorectal surgeons.
Should the Globus Pallidus Targeting Be Refined in Dystonia?
Authors: da Silva Lapa Jorge Dornellys , Godinho Fábio Luiz Franceschi , Teixeira Manoel Jacobsen , Listik Clarice , Iglesio Ricardo Ferrareto , Duarte Kleber Paiva , Cury Rubens Gisbert
Published: November 2021

Background and Study Aims Deep brain stimulation (DBS) of the globus pallidus internus (GPi) is a highly effective therapy for primary generalized and focal dystonias, but therapeutic success is compromised by a nonresponder rate of up to 20%. Variability in electrode placement and in tissue stimulated inside the GPi may explain in part different outcomes among patients. Refinement of the target within the pallidal area could be helpful for surgery planning and clinical outcomes. The objective of this study was to discuss current and potential methodological (somatotopy, neuroimaging, and neurophysiology) aspects that might assist neurosurgical targeting of the GPi, aiming to treat generalized or focal dystonia.

Methods We selected published studies by searching electronic databases and scanning the reference lists for articles that examined the anatomical and electrophysiologic aspects of the GPi in patients with idiopathic/inherited dystonia who underwent functional neurosurgical procedures.

Results The sensorimotor sector of the GPi was the best target to treat dystonic symptoms, and was localized at its lateral posteroventral portion. The effective volume of tissue activated (VTA) to treat dystonia had a mean volume of 153 mm3 in the posterior GPi area. Initial tractography studies evaluated the close relation between the electrode localization and pallidothalamic tract to control dystonic symptoms.

Regarding the somatotopy, the more ventral, lateral, and posterior areas of the GPi are associated with orofacial and cervical representation. In contrast, the more dorsal, medial, and anterior areas are associated with the lower limbs; between those areas, there is the representation of the upper limb. Excessive pallidal synchronization has a peak at the theta band of 3 to 8 Hz, which might be responsible for generating dystonic symptoms.

Conclusions Somatotopy assessment of posteroventral GPi contributes to target-specific GPi sectors related to segmental body symptoms. Tractography delineates GPi output pathways that might guide electrode implants, and electrophysiology might assist in pointing out areas of excessive theta synchronization. Finally, the identification of oscillatory electrophysiologic features that correlate with symptoms might enable closed-loop approaches in the future.