bluuebunny/crossref_metadata_2025 huggingface dataset:
A complex-valued resonance model for axisymmetric screech tones in supersonic jets
Authors: Mancinelli Matteo , Jaunet Vincent , Jordan Peter , Towne Aaron
Published: October 2021

We model the resonance mechanism underpinning generation of A1 and A2 screech tones in an under-expanded supersonic jet. Starting from the resonance model recently proposed by Mancinelliet al.(Exp. Fluids, vol. 60, 2019, p. 22), where the upstream-travelling wave is a neutrally stable guided-jet mode, we here present a more complete linear-stability-based model for screech prediction. We study temperature and shear-layer thickness effects and show that, in order to accurately describe the experimental data, the effect of the finite thickness of the shear layer must be incorporated in the jet-dynamics model. We then present an improved resonance model for screech-frequency predictions in which both downstream- and upstream-travelling waves may have a complex wavenumber and frequency. This resonance model requires knowledge of the reflection coefficients at the upstream and downstream locations of the resonance loop. We explore the effect of the reflection coefficients on the resonance model and propose an approach for their identification. The complex-mode model identifies limited regions of frequency–flow parameter space for which the resonance loop is amplified in time, a necessary condition for the resonance to be sustained. This model provides an improved description of the experimental measurements.
Johannes Kepler and his making of the Rudolphine Tables
Authors: Cooker Mark J.
Published: October 2021

This Article is about the many complicated tasks that one mathematician had to carry out, and the barriers he had to overcome in order to publish one very important book in the history of applied mathematics.
Developing quadrature themes
Authors: Mahony John D.
Published: October 2021

Readers will most likely be aware of the works of Johann Sebastian Bach in the field of music, particularly of his Goldberg variations and the changes that can be rung, wherein aesthetically appealing alterations to structure produce a raft of colourful sounding themes. Similarly in the field of quadrature it is possible to revisit and re-establish well-known formulae by developing variations on the theme of a three-point interpolating quadratic formed to represent a function that is to be integrated.
Simultaneous bilateral transcutaneous bone conduction device implantation: sound localisation and speech perception in children with bilateral conductive hearing loss
Authors: Chen P , Yang L , Yang J , Wang D , Li Y , Zhao C , Liu Y , Gao M , Zhu J , Li S , Zhao S
Published: October 2021

Objective

This study investigated the audiometric and sound localisation results in patients with conductive hearing loss after bilateral Bonebridge implantation.

Method

Eight patients with congenital microtia and atresia supplied with bilateral Bonebridge devices were enrolled in this study. Hearing tests and sound localisation were tested under unaided, unilateral and bilateral aided conditions.

Results

Mean functional gain was higher with a bilateral fitting than with a unilateral fitting, especially at 1.0–4.0 kHz (p < 0.05, both). The improvement in speech reception threshold in noise with a bilateral fitting was a 2.3 dB higher signal-to-noise ratio compared with unilateral fitting (p < 0.05). Bilateral fitting had better sound localisation than unilateral fitting (p <0.001). Four participants who attended follow up showed improved sound localisation ability after one year.

Conclusion

Patients demonstrated better hearing threshold, speech reception thresholds in noise and directional hearing with bilateral Bonebridge devices than with a unilateral Bonebridge device. Sound localisation ability with bilateral Bonebridge devices can be improved through long-term training.
Meemi: A simple method for post-processing and integrating cross-lingual word embeddings
Authors: Doval Yerai , Camacho-Collados Jose , Espinosa-Anke Luis , Schockaert Steven
Published: October 2021

Word embeddings have become a standard resource in the toolset of any Natural Language Processing practitioner. While monolingual word embeddings encode information about words in the context of a particular language, cross-lingual embeddings define a multilingual space where word embeddings from two or more languages are integrated together. Current state-of-the-art approaches learn these embeddings by aligning two disjoint monolingual vector spaces through an orthogonal transformation which preserves the structure of the monolingual counterparts. In this work, we propose to apply an additional transformation after this initial alignment step, which aims to bring the vector representations of a given word and its translations closer to their average. Since this additional transformation is non-orthogonal, it also affects the structure of the monolingual spaces. We show that our approach both improves the integration of the monolingual spaces and the quality of the monolingual spaces themselves. Furthermore, because our transformation can be applied to an arbitrary number of languages, we are able to effectively obtain a truly multilingual space. The resulting (monolingual and multilingual) spaces show consistent gains over the current state-of-the-art in standard intrinsic tasks, namely dictionary induction and word similarity, as well as in extrinsic tasks such as cross-lingual hypernym discovery and cross-lingual natural language inference.
Mapping Heat Vulnerability Index Based on Different Urbanization Levels in Nebraska, USA
Authors: Jalalzadeh Fard Babak , Mahmood Rezaul , Hayes Michael , Rowe Clinton , Abadi Azar M. , Shulski Martha , Medcalf Sharon , Lookadoo Rachel , Bell Jesse E.
Published: October 2021

Heatwaves cause excess mortality and physiological impacts on humans throughout the world, and climate change will intensify and increase the frequency of heat events. Many adaptation and mitigation studies use spatial distribution of highly vulnerable local populations to inform heat reduction and response plans. However, most available heat vulnerability studies focus on urban areas with high heat intensification by Urban Heat Islands (UHIs). Rural areas encompass different environmental and socioeconomic issues that require alternate analyses of vulnerability. We categorized Nebraska census tracts into four urbanization levels, then conducted factor analyses on each group and captured different patterns of socioeconomic vulnerabilities among resultant Heat Vulnerability Indices (HVIs). While disability is the major component of HVI in two urbanized classes, lower education, and races other than white have higher contributions in HVI for the two rural classes. To account for environmental vulnerability of HVI, we considered different land type combinations for each urban class based on their percentage areas and their differences in heat intensifications. Our results demonstrate different combinations of initial variables in heat vulnerability among urban classes of Nebraska and clustering of high and low heat vulnerable areas within the highest urbanized sections. Less urbanized areas show no spatial clustering of HVI. More studies with separation on urbanization level of residence can give insights into different socioeconomic vulnerability patterns in rural and urban areas, while also identifying changes in environmental variables that better capture heat intensification in rural settings.
Dipole and Nondipole Evolution of the Historical Geomagnetic Field From Instrumental, Archeomagnetic, and Volcanic Data
Authors: Arneitz P. , Leonhardt R. , Egli R. , Fabian K.
Published: October 2021

Although a large number of magnetic declination and inclination measurements are available for the historical period from 1400 to 1900 CE, even the evolution of the axial dipole moment, the most prominent quantity of the geomagnetic field, is highly disputed for this time interval. Here, a new iterative Bayesian spherical harmonic model is constructed that combines historical (direct) and archeomagnetic or volcanic (indirect) records to better constrain the geomagnetic field evolution over this historical epoch. The resulting geomagnetic field reconstruction (BIGMUDIh.1) benefits from recently published and revised data for critical periods and regions. The highly variable data uncertainties and qualities are tackled with a weighting and selection scheme. Model uncertainties are mainly controlled by selection criteria applied to indirect intensity records and are estimated using a bootstrapping approach. A major improvement with respect to the established historical model gufm1 consists in the incorporation of archeointensities, which enables a direct estimation of the axial dipole evolution prior to 1840 CE. BIGMUDIh.1 yields a 2 µT (6%) decrease of the axial dipole component between 1500 and 1600 CE, followed by a relatively stable period until 1900 CE. Modeled declinations agree well with historical records and the gufm1 model derived from such records. Furthermore, the evolution of the South Atlantic Anomaly, driven by reverse flux patches (RFPs) at the core‐mantle boundary, is outlined. Periods of accelerated movement of the northern magnetic dip pole appear to be connected to the formation and changes of RFPs in the Northern Hemisphere.
SARS-CoV-2 immunity and functional recovery of COVID-19 patients 1-year after infection
Authors: Zhan Yan , Zhu Yufang , Wang Shanshan , Jia Shijun , Gao Yunling , Lu Yingying , Zhou Caili , Liang Ran , Sun Dingwen , Wang Xiaobo , Hou Zhibing , Hu Qiaoqiao , Du Peng , Yu Hao , Liu Chang , Cui Miao , Tong Gangling , Zheng Zhihua , Xu Yunsheng , Zhu Linyu , Cheng Jin , Wu Feng , Zheng Yulan , Liu Peijun , Hong Peng
Published: October 2021

The long-term immunity and functional recovery after SARS-CoV-2 infection have implications in preventive measures and patient quality of life. Here we analyzed a prospective cohort of 121 recovered COVID-19 patients from Xiangyang, China at 1-year after diagnosis. Among them, chemiluminescence immunoassay-based screening showed 99% (95% CI, 98–100%) seroprevalence 10–12 months after infection, comparing to 0.8% (95% CI, 0.7–0.9%) in the general population. Total anti-receptor-binding domain (RBD) antibodies remained stable since discharge, while anti-RBD IgG and neutralization levels decreased over time. A predictive model estimates 17% (95% CI, 11–24%) and 87% (95% CI, 80–92%) participants were still 50% protected against detectable and severe re-infection of WT SARS-CoV-2, respectively, while neutralization levels against B.1.1.7 and B.1.351 variants were significantly reduced. All non-severe patients showed normal chest CT and 21% reported COVID-19-related symptoms. In contrast, 53% severe patients had abnormal chest CT, decreased pulmonary function or cardiac involvement and 79% were still symptomatic. Our findings suggest long-lasting immune protection after SARS-CoV-2 infection, while also highlight the risk of immune evasive variants and long-term consequences for COVID-19 survivors.
From calibration to parameter learning: Harnessing the scaling effects of big data in geoscientific modeling
Authors: Tsai Wen-Ping , Feng Dapeng , Pan Ming , Beck Hylke , Lawson Kathryn , Yang Yuan , Liu Jiangtao , Shen Chaopeng
Published: October 2021

The behaviors and skills of models in many geosciences (e.g., hydrology and ecosystem sciences) strongly depend on spatially-varying parameters that need calibration. A well-calibrated model can reasonably propagate information from observations to unobserved variables via model physics, but traditional calibration is highly inefficient and results in non-unique solutions. Here we propose a novel differentiable parameter learning (dPL) framework that efficiently learns a global mapping between inputs (and optionally responses) and parameters. Crucially, dPL exhibits beneficial scaling curves not previously demonstrated to geoscientists: as training data increases, dPL achieves better performance, more physical coherence, and better generalizability (across space and uncalibrated variables), all with orders-of-magnitude lower computational cost. We demonstrate examples that learned from soil moisture and streamflow, where dPL drastically outperformed existing evolutionary and regionalization methods, or required only ~12.5% of the training data to achieve similar performance. The generic scheme promotes the integration of deep learning and process-based models, without mandating reimplementation.
Secondary-structure switch regulates the substrate binding of a YopJ family acetyltransferase
Authors: Xia Yao , Zou Rongfeng , Escouboué Maxime , Zhong Liang , Zhu Chengjun , Pouzet Cécile , Wu Xueqiang , Wang Yongjin , Lv Guohua , Zhou Haibo , Sun Pinghua , Ding Ke , Deslandes Laurent , Yuan Shuguang , Zhang Zhi-Min
Published: October 2021

The Yersinia outer protein J (YopJ) family effectors are widely deployed through the type III secretion system by both plant and animal pathogens. As non-canonical acetyltransferases, the enzymatic activities of YopJ family effectors are allosterically activated by the eukaryote-specific ligand inositol hexaphosphate (InsP6). However, the underpinning molecular mechanism remains undefined. Here we present the crystal structure of apo-PopP2, a YopJ family member secreted by the plant pathogen Ralstonia solanacearum. Structural comparison of apo-PopP2 with the InsP6-bound PopP2 reveals a substantial conformational readjustment centered in the substrate-binding site. Combining biochemical and computational analyses, we further identify a mechanism by which the association of InsP6 with PopP2 induces an α-helix-to-β-strand transition in the catalytic core, resulting in stabilization of the substrate recognition helix in the target protein binding site. Together, our study uncovers the molecular basis governing InsP6-mediated allosteric regulation of YopJ family acetyltransferases and further expands the paradigm of fold-switching proteins.
Magnetic topological quantum chemistry
Authors: Elcoro Luis , Wieder Benjamin J. , Song Zhida , Xu Yuanfeng , Bradlyn Barry , Bernevig B. Andrei
Published: October 2021

For over 100 years, the group-theoretic characterization of crystalline solids has provided the foundational language for diverse problems in physics and chemistry. However, the group theory of crystals with commensurate magnetic order has remained incomplete for the past 70 years, due to the complicated symmetries of magnetic crystals. In this work, we complete the 100-year-old problem of crystalline group theory by deriving the small corepresentations, momentum stars, compatibility relations, and magnetic elementary band corepresentations of the 1,421 magnetic space groups (MSGs), which we have made freely accessible through tools on the Bilbao Crystallographic Server. We extend Topological Quantum Chemistry to the MSGs to form a complete, real-space theory of band topology in magnetic and nonmagnetic crystalline solids – Magnetic Topological Quantum Chemistry (MTQC). Using MTQC, we derive the complete set of symmetry-based indicators of electronic band topology, for which we identify symmetry-respecting bulk and anomalous surface and hinge states.
Finger sweat analysis enables short interval metabolic biomonitoring in humans
Authors: Brunmair Julia , Gotsmy Mathias , Niederstaetter Laura , Neuditschko Benjamin , Bileck Andrea , Slany Astrid , Feuerstein Max Lennart , Langbauer Clemens , Janker Lukas , Zanghellini Jürgen , Meier-Menches Samuel M. , Gerner Christopher
Published: October 2021

Metabolic biomonitoring in humans is typically based on the sampling of blood, plasma or urine. Although established in the clinical routine, these sampling procedures are often associated with a variety of compliance issues, which are impeding time-course studies. Here, we show that the metabolic profiling of the minute amounts of sweat sampled from fingertips addresses this challenge. Sweat sampling from fingertips is non-invasive, robust and can be accomplished repeatedly by untrained personnel. The sweat matrix represents a rich source for metabolic phenotyping. We confirm the feasibility of short interval sampling of sweat from the fingertips in time-course studies involving the consumption of coffee or the ingestion of a caffeine capsule after a fasting interval, in which we successfully monitor all known caffeine metabolites as well as endogenous metabolic responses. Fluctuations in the rate of sweat production are accounted for by mathematical modelling to reveal individual rates of caffeine uptake, metabolism and clearance. To conclude, metabotyping using sweat from fingertips combined with mathematical network modelling shows promise for broad applications in precision medicine by enabling the assessment of dynamic metabolic patterns, which may overcome the limitations of purely compositional biomarkers.
Disordered breathing in a Pitt-Hopkins syndrome model involves Phox2b-expressing parafacial neurons and aberrant Nav1.8 expression
Authors: Cleary C. M. , James S. , Maher B. J. , Mulkey D. K.
Published: October 2021

Pitt-Hopkins syndrome (PTHS) is a rare autism spectrum-like disorder characterized by intellectual disability, developmental delays, and breathing problems involving episodes of hyperventilation followed by apnea. PTHS is caused by functional haploinsufficiency of the gene encoding transcription factor 4 (Tcf4). Despite the severity of this disease, mechanisms contributing to PTHS behavioral abnormalities are not well understood. Here, we show that a Tcf4 truncation (Tcf4tr/+) mouse model of PTHS exhibits breathing problems similar to PTHS patients. This behavioral deficit is associated with selective loss of putative expiratory parafacial neurons and compromised function of neurons in the retrotrapezoid nucleus that regulate breathing in response to tissue CO2/H+. We also show that central Nav1.8 channels can be targeted pharmacologically to improve respiratory function at the cellular and behavioral levels in Tcf4tr/+ mice, thus establishing Nav1.8 as a high priority target with therapeutic potential in PTHS.
Memristor-based biomimetic compound eye for real-time collision detection
Authors: Wang Yan , Gong Yue , Huang Shenming , Xing Xuechao , Lv Ziyu , Wang Junjie , Yang Jia-Qin , Zhang Guohua , Zhou Ye , Han Su-Ting
Published: October 2021

The lobula giant movement detector (LGMD) is the movement-sensitive, wide-field visual neuron positioned in the third visual neuropile of lobula. LGMD neuron can anticipate collision and trigger avoidance efficiently owing to the earlier occurring firing peak before collision. Vision chips inspired by the LGMD have been successfully implemented in very-large-scale-integration (VLSI) system. However, transistor-based chips and single devices to simulate LGMD neurons make them bulky, energy-inefficient and complicated. The devices with relatively compact structure and simple operation mode to mimic the escape response of LGMD neuron have not been realized yet. Here, the artificial LGMD visual neuron is implemented using light-mediated threshold switching memristor. The non-monotonic response to light flow field originated from the formation and break of Ag conductive filaments is analogue to the escape response of LGMD neuron. Furthermore, robot navigation with obstacle avoidance capability and biomimetic compound eyes with wide field-of-view (FoV) detection capability are demonstrated.
Health effects of selected trace elements in hairdressing cosmetics on hairdressers in Enugu, Nigeria
Authors: Eneh Onyenekenwa Cyprian
Published: October 2021

Could trace elements in hairdressing cosmetics prove carcinogenic to hairdressers, who use them regularly as raw materials in hairdressing business? The toxic effects of selected trace elements contained in hairdressing cosmetics on hairdressers were investigated by regressing the quality of life values for hairdressers with their blood/urine levels of the toxic metals A hundred subjects were randomly drawn from a cluster of hairdressers. Blood lead level, 17.47 ± 4.59 µg/dL, confirmed that the hairdressers were regularly exposed to lead. Mean blood mercury level, 25.06 ± 4.11 ng/dL, was above the normal blood mercury concentration of less than 10–20 ng/mL. Mean blood cadmium level, 3.64 ± 1.87 µg/dL, was within the normal range, < 5.0 µg/dL. Mean urine arsenic level, 96.16 ± 38.34 µg/L, was above normal range, ≤ 50 μg/dL, but within high normal range, > 50 to < 200 μg/dL. Blood nickel level, 0.49 ± 0.20 µg/dL, was above both the healthy range, 0.14–0.65 µg/dL, and the most reliable value of 0.2 µg/dL. Negative correlations existed between the quality of life and levels for lead (R = − .017), mercury (R = − .008), arsenic (R = − .072) and nickel (R = − .168), but there was positive correlation with cadmium level (R = .123). At 0.096, the probability value (p value) for nickel was significant at 10%. P value as insignificant at 1%, 5% and 10% for lead (0.868), mercury (0.940), cadmium (0.224) and arsenic (0.475). Therefore, Ni contained in hairdressing cosmetics might have carcinogenic effects that affected the quality of life of hairdressers, unlike other trace elements tested, namely, lead, mercury, cadmium and arsenic. Further research with the tumor markers assessment is recommended to confirm the carcinogenic effect of Ni.
Sulphate-reducing bacterial community structure from produced water of the Periquito and Galo de Campina onshore oilfields in Brazil
Authors: Tiburcio Samyra Raquel Gonçalves , Macrae Andrew , Peixoto Raquel Silva , da Costa Rachid Caio Tavora Coelho , Mansoldo Felipe Raposo Passos , Alviano Daniela Sales , Alviano Celuta Sales , Ferreira Davis Fernandes , de Queiroz Venâncio Fabrício , Ferreira Doneivan Fernandes , Vermelho Alane Beatriz
Published: October 2021

Sulphate-reducing bacteria (SRB) cause fouling, souring, corrosion and produce H2S during oil and gas production. Produced water obtained from Periquito (PQO) and Galo de Campina (GC) onshore oilfields in Brazil was investigated for SRB. Produced water with Postgate B, Postgate C and Baars media was incubated anaerobically for 20 days. DNA was extracted, 16S rDNA PCR amplified and fragments were sequenced using Illumina TruSeq. 4.2 million sequence reads were analysed and deposited at NCBI SAR accession number SRP149784. No significant differences in microbial community composition could be attributed to the different media but significant differences in the SRB were observed between the two oil fields. The dominant bacterial orders detected from both oilfields were Desulfovibrionales, Pseudomonadales and Enterobacteriales. The genusPseudomonaswas found predominantly in the GC oilfield andPleomorphominasandShewanellawere features of the PQO oilfield. 11% and 7.6% of the sequences at GC and PQO were not classified at the genus level but could be partially identified at the order level. Relative abundances changed forDesulfovibriofrom 29.8% at PQO to 16.1% at GC.Clostridiumvaried from 2.8% at PQO and 2.4% at GC. These data provide the first description of SRB from onshore produced water in Brazil and reinforce the importance of Desulfovibrionales, Pseudomonadales, and Enterobacteriales in produced water globally. Identifying potentially harmful microbes is an important first step in developing microbial solutions that prevent their proliferation.
Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells
Authors: Khalid Muhammad , Momina  , Imran Muhammad , Rehman Muhammad Fayyaz ur , Braga Ataualpa Albert Carmo , Akram Muhammad Safwan
Published: October 2021

Considering the increased demand and potential of photovoltaic devices in clean, renewable electrical and hi-tech applications, non-fullerene acceptor (NFA) chromophores have gained significant attention. Herein, six novel NFA molecules IBRD1–IBRD6 have been designed by structural modification of the terminal moieties from experimentally synthesized A2-A1-D-A1-A2 architecture IBR for better integration in organic solar cells (OSCs). To exploit the electronic, photophysical and photovoltaic behavior, density functional theory/time dependent-density functional theory (DFT/TD-DFT) computations were performed at M06/6-311G(d,p) functional. The geometry, electrical and optical properties of the designed acceptor molecules were compared with reported IBR architecture. Interestingly, a reduction in bandgap (2.528–2.126 eV), with a broader absorption spectrum, was studied in IBR derivatives (2.734 eV). Additionally, frontier molecular orbital findings revealed an excellent transfer of charge from donor to terminal acceptors and the central indenoindene-core was considered responsible for the charge transfer. Among all the chromophores, IBRD3 manifested the lowest energy gap (2.126 eV) with higher λmax at 734 and 745 nm in gaseous phase and solvent (chloroform), respectively due to the strong electron-withdrawing effect of five end-capped cyano groups present on the terminal acceptor. The transition density matrix map revealed an excellent charge transfer from donor to terminal acceptors. Further, to investigate the charge transfer and open-circuit voltage (Voc), PBDBT donor polymer was blended with acceptor chromophores, and a significant Voc (0.696–1.854 V) was observed. Intriguingly, all compounds exhibited lower reorganization and binding energy with a higher exciton dissociation in an excited state. This investigation indicates that these designed chromophores can serve as excellent electron acceptor molecules in organic solar cells (OSCs) that make them attractive candidates for the development of scalable and inexpensive optoelectronic devices.
Model retraining and information sharing in a supply chain with long-term fluctuating demands
Authors: Ezaki Takahiro , Imura Naoto , Nishinari Katsuhiro
Published: October 2021

Demand forecasting based on empirical data is a viable approach for optimizing a supply chain. However, in this approach, a model constructed from past data occasionally becomes outdated due to long-term changes in the environment, in which case the model should be updated (i.e., retrained) using the latest data. In this study, we examine the effects of updating models in a supply chain using a minimal setting. We demonstrate that when each party in the supply chain has its own forecasting model, uncoordinated model retraining causes the bullwhip effect even if a very simple replenishment policy is applied. Our results also indicate that sharing the forecasting model among the parties involved significantly reduces the bullwhip effect.
Environmental spatial heterogeneity of the impacts of COVID-19 on the top-20 metropolitan cities of Asia-Pacific
Authors: Ali Ghaffar , Abbas Sawaid , Qamer Faisal Mueen , Irteza Syed Muhammad
Published: October 2021

This study investigated the environmental spatial heterogeneity of novel coronavirus (COVID-19) and spatial and temporal changes among the top-20 metropolitan cities of the Asia-Pacific. Remote sensing-based assessment is performed to analyze before and during the lockdown amid COVID-19 lockdown in the cities. Air pollution and mobility data of each city (Bangkok, Beijing, Busan, Dhaka, Delhi, Ho Chi Minh, Hong Kong, Karachi, Mumbai, Seoul, Shanghai, Singapore, Tokyo, Wuhan, and few others) have been collected and analyzed for 2019 and 2020. Results indicated that almost every city was impacted positively regarding environmental emissions and visible reduction were found in Aerosol Optical Depth (AOD), sulfur dioxide (SO2), carbon monoxide (CO), and nitrogen dioxide (NO2) concentrations before and during lockdown periods of 2020 as compared to those of 2019. The highest NO2 emission reduction (~ 50%) was recorded in Wuhan city during the lockdown of 2020. AOD was highest in Beijing and lowest in Colombo (< 10%). Overall, 90% movement was reduced till mid-April, 2020. A 98% reduction in mobility was recorded in Delhi, Seoul, and Wuhan. This analysis suggests that smart mobility and partial shutdown policies could be developed to reduce environmental pollutions in the region. Wuhan city is one of the benchmarks and can be replicated for the rest of the Asian cities wherever applicable.
Untargeted metabolomics reveals sex-specific differences in lipid metabolism of adult rats exposed to dexamethasone in utero
Authors: Murray Alyssa , Tharmalingam Sujeenthar , Nguyen Phong , Tai T. C.
Published: October 2021

Prenatal stress through glucocorticoid (GC) exposure leads to an increased risk of developing diseases such as cardiovascular disease, metabolic syndrome and hypertension in adulthood. We have previously shown that administration of the synthetic glucocorticoid, dexamethasone (Dex), to pregnant Wistar–Kyoto dams produces offspring with elevated blood pressures and disrupted circadian rhythm signaling. Given the link between stress, circadian rhythms and metabolism, we performed an untargeted metabolomic screen on the livers of offspring to assess potential changes induced by prenatal Dex exposure. This metabolomic analysis highlighted 18 significantly dysregulated metabolites in females and 12 in males. Pathway analysis using MetaboAnalyst 4.0 highlighted key pathway-level metabolic differences: glycerophospholipid metabolism, purine metabolism and glutathione metabolism. Gene expression analysis revealed significant upregulation of several lipid metabolism genes in females while males showed no dysregulation. Triglyceride concentrations were also found to be significantly elevated in female offspring exposed to Dex in utero, which may contribute to lipid metabolism activation. This study is the first to conduct an untargeted metabolic profile of liver from GC exposed offspring. Corroborating metabolic, gene expression and lipid profiling results demonstrates significant sex-specific lipid metabolic differences underlying the programming of hepatic metabolism.
A new optimization algorithm to solve multi-objective problems
Authors: Sharifi Mohammad Reza , Akbarifard Saeid , Qaderi Kourosh , Madadi Mohamad Reza
Published: October 2021

Simultaneous optimization of several competing objectives requires increasing the capability of optimization algorithms. This paper proposes the multi-objective moth swarm algorithm, for the first time, to solve various multi-objective problems. In the proposed algorithm, a new definition for pathfinder moths and moonlight was proposed to enhance the synchronization capability as well as to maintain a good spread of non-dominated solutions. In addition, the crowding-distance mechanism was employed to select the most efficient solutions within the population. This mechanism indicates the distribution of non-dominated solutions around a particular non-dominated solution. Accordingly, a set of non-dominated solutions obtained by the proposed multi-objective algorithm is kept in an archive to be used later for improving its exploratory capability. The capability of the proposed MOMSA was investigated by a set of multi-objective benchmark problems having 7 to 30 dimensions. The results were compared with three well-known meta-heuristics of multi-objective evolutionary algorithm based on decomposition (MOEA/D), Pareto envelope-based selection algorithmII(PESA-II), and multi-objective ant lion optimizer (MOALO). Four metrics of generational distance (GD), spacing (S), spread (Δ), and maximum spread (MS) were employed for comparison purposes. The qualitative and quantitative results indicated the superior performance and the higher capability of the proposed MOMSA algorithm over the other algorithms. The MOMSA algorithm with the average values of CPU time = 2771 s,GD = 0.138,S = 0.063, Δ = 1.053, andMS = 0.878 proved to be a robust and reliable model for multi-objective optimization.
Passive acoustic monitoring of killer whales (Orcinus orca) reveals year-round distribution and residency patterns in the Gulf of Alaska
Authors: Myers Hannah J. , Olsen Daniel W. , Matkin Craig O. , Horstmann Lara A. , Konar Brenda
Published: October 2021

Killer whales (Orcinus orca) are top predators throughout the world’s oceans. In the North Pacific, the species is divided into three ecotypes—resident (fish-eating), transient (mammal-eating), and offshore (largely shark-eating)—that are genetically and acoustically distinct and have unique roles in the marine ecosystem. In this study, we examined the year-round distribution of killer whales in the northern Gulf of Alaska from 2016 to 2020 using passive acoustic monitoring. We further described the daily acoustic residency patterns of three killer whale populations (southern Alaska residents, Gulf of Alaska transients, and AT1 transients) for one year of these data. Highest year-round acoustic presence occurred in Montague Strait, with strong seasonal patterns in Hinchinbrook Entrance and Resurrection Bay. Daily acoustic residency times for the southern Alaska residents paralleled seasonal distribution patterns. The majority of Gulf of Alaska transient detections occurred in Hinchinbrook Entrance in spring. The depleted AT1 transient killer whale population was most often identified in Montague Strait. Passive acoustic monitoring revealed that both resident and transient killer whales used these areas much more extensively than previously known and provided novel insights into high use locations and times for each population. These results may be driven by seasonal foraging opportunities and social factors and have management implications for this species.
Assessment of bone quality with trabecular bone score in patients with inflammatory bowel disease
Authors: Soare Iulia , Sirbu Anca , Martin Sorina , Diculescu Mircea , Mateescu Bogdan , Tieranu Cristian , Fica Simona
Published: October 2021

Inflammatory bowel disease (IBD) patients have a significant risk of developing bone loss. The trabecular bone score (TBS) is a relatively new parameter used to provide information on bone quality. The study cohort included 81 patients with IBD and 81 healthy controls. Blood tests, dual-energy x-ray absorptiometry (DXA), including TBS, were assessed. Harvey–Bradshaw Index (HBI) for Crohn's disease (CD) and the Partial Mayo Score for ulcerative colitis (UC) were used for evaluation of clinical disease activity. Compared with the healthy controls, the IBD patients had lower lumbar spine (LS) bone mineral density (BMD) (1.06 ± 0.18 vs. 1.16 ± 0.15 g/cm2, p < 0.005), hip BMD (0.88 ± 0.13 vs. 0.97 ± 0.13 g/cm2, p < 0.005) and TBS (1.38 ± 0.1 vs. 1.43 ± 0.1, p < 0.005) values. The patients with stricturing CD had lower TBS (1.32 ± 0.13 vs. 1.40 ± 0.9, p = 0.03) and LS BMD (0.92 ± 0.19 vs. 1.07 ± 0.1, p = 0.01) values compared with those with non-stricturing CD. Multivariate regression model analysis identified HBI as independent factor associated with TBS. Our results support that all DXA parameters are lower in patients with IBD than in healthy patients. Moreover, TBS is a valuable tool for assessment of bone impairment in active CD.
Shared patterns in body size declines among crinoids during the Palaeozoic extinction events
Authors: Salamon Mariusz A. , Brachaniec Tomasz , Kołbuk Dorota , Saha Anwesha , Gorzelak Przemysław
Published: October 2021

Crinoids were among the most abundant marine benthic animals throughout the Palaeozoic, but their body size evolution has received little attention. Here, we compiled a comprehensive database on crinoid calyx biovolumes throughout the Palaeozoic. A model comparison approach revealed contrasting and complex patterns in body size dynamics between the two major crinoid clades (Camerata and Pentacrinoidea). Interestingly, two major drops in mean body size at around two mass extinction events (during the late Ordovician and the late Devonian respectively) are observed, which is reminiscent of current patterns of shrinking body size of a wide range of organisms as a result of climate change. The context of some trends (marked declines during extinctions) suggests the cardinal role of abiotic factors (dramatic climate change associated with extinctions) on crinoid body size evolution; however, other patterns (two intervals with either relative stability or steady size increase in periods between mass extinctions) are more consistent with biotic drivers.
In vivo evaluation of GG2–GG1/A2 element activity in the insulin promoter region using the CRISPR–Cas9 system
Authors: Noguchi Hirofumi , Miyagi-Shiohira Chika , Kinjo Takao , Saitoh Issei , Watanabe Masami
Published: October 2021

The insulin promoter is regulated by ubiquitous as well as pancreatic β-cell-specific transcription factors. In the insulin promoter, GG2–GG1/A2–C1 (bases − 149 to − 116 in the human insulin promoter) play important roles in regulating β-cell-specific expression of the insulin gene. However, these events were identified through in vitro studies, and we are unaware of comparable in vivo studies. In this study, we evaluated the activity of GG2–GG1/A2 elements in the insulin promoter region in vivo. We generated homozygous mice with mutations in the GG2–GG1/A2 elements in each of the Ins1 and Ins2 promoters by CRISPR–Cas9 technology. The mice with homozygous mutations in the GG2–GG1/A2 elements in both Ins1 and Ins2 were diabetic. These data suggest that the GG2–GG1/A2 element in mice is important for Ins transcription in vivo.
α-Fe2O3/graphene oxide powder and thin film nanocomposites as peculiar photocatalysts for dye removal from wastewater
Authors: Khoshnam Mahsa , Farahbakhsh Javad , Zargar Masoumeh , Mohammad Abdul Wahab , Benamor Abdelbaki , Ang Wei Lun , Mahmoudi Ebrahim
Published: October 2021

In this study, hematite graphene oxide (αFe2O3-GO) powder nanocomposites and thin-film hematite graphene oxide (αFe2O3-GO) were synthesized for application in the removal of Rhodamine B (RhB) from textile wastewater. αFe2O3-GO nanomaterials were placed onto the FTO substrate to form a thin layer of nanocomposites. Different analysis including XRD, FTIR, Raman spectra, XPS, and FESEM were done to analyze the morphology, structure, and properties of the synthesized composites as well as the chemical interactions of αFe2O3 with GO. The photocatalytic performance of two synthesized composites was compared with different concentrations of αFe2O3-GO. The results showed that powder nanocomposites are more effective than thin-film composites for the removal of RhB dye. αFe2O3-GO-5% powder nanocomposites removed over 64% of dye while thin-film nanocomposites had less removal efficiencies with just under 47% removal rate. The reusability test was done for both materials in which αFe2O3-GO-5% powder nanocomposites removed a higher rate of dye (up to 63%) in more cycles (6 cycles).
Cancer photothermal therapy based on near infrared fluorescent CdSeTe/ZnS quantum dots
Authors: Wang Jin , Su XueQiong , Zhao PengXiang , Gao DongWen , Chen RuiXiang , Wang Li
Published: October 2021

Micro targeted therapy for cancer has become a hot topic in recent years because of its advantages of little damage to the human body and early treatment of cancer.
Field-induced single ion magnet behaviour of discrete and one-dimensional complexes containing [bis(1-methylimidazol-2-yl)ketone]-cobalt(ii) building units
Authors: Jiménez Juan-Ramón , Xu Buqing , El Said Hasnaa , Li Yanling , von Bardeleben Jurgen , Chamoreau Lise-Marie , Lescouëzec Rodrigue , Shova Sergiu , Visinescu Diana , Alexandru Maria-Gabriela , Cano Joan , Julve Miguel
Published: October 2021

Three {CoII(Rbik)2} single-ion magnets (SIMs) based on the Mebik ligand [Mebik = bis(1-methylimidazol-2-yl)ketone] and one mixed-valence {CoIII2CoII}n chain of CoII SIMs connected by diamagnetic {CoIII2(μ-2,5-dpp)(CN)8} spacers are discussed.
Preparation and antitumor application of N-phenylcarbazole/triphenylamine-modified fluorescent half-sandwich iridium(iii) Schiff base complexes
Authors: Wang Liyan , Huang Chenyang , Hu Fenglian , Cui Wen , Li Yiqing , Li Jingwen , Zong Jiawen , Liu Xicheng , Yuan Xiang-Ai , Liu Zhe
Published: October 2021

N-Phenylcarbazole/triphenylamine-modified half-sandwich iridium(iii) Schiff base complexes could induce tumor cell apoptosis, especially the pentamethylcyclopentadiene-based complex.
Emerging investigator series: enhanced peroxidase-like activity and improved antibacterial performance of palladium nanosheets by an alginate-corona
Authors: Ma Minghao , Wang Ruixia , Xu Lining , Du Jingjing , Xu Ming , Liu Sijin
Published: October 2021

The formation of an alginate corona on the surface of Pd nanosheets can boost their peroxidase-like activity, giving rise to the fast generation of hydroxyl radicals and the enhancement of antibacterial activity.
Pediococcus acidilacticiCCFM6432 mitigates chronic stress-induced anxiety and gut microbial abnormalities
Authors: Tian Peijun , Chen Ying , Qian Xin , Zou Renying , Zhu Huiyue , Zhao Jianxin , Zhang Hao , Wang Gang , Chen Wei
Published: October 2021

CCFM6432 mitigates chronic stress-induced anxiety; the mechanism of action is correlated with the regulation of brain neurobiology, the HPA axis, and the gut microbiome.
Colossal expansion and fast motion in spin-crossover@polymer actuators
Authors: Piedrahita-Bello Mario , Angulo-Cervera José Elias , Enriquez-Cabrera Alejandro , Molnár Gábor , Tondu Bertrand , Salmon Lionel , Bousseksou Azzedine
Published: October 2021

Bilayer spin-crossover nanocomposites show robust and controllable actuation cycles upon an electrical stimulus. The anisotropic shape of the particle and the mechanical coupling with the matrix can intensify the work output of the actuators.
Exploring and expanding the Fe-terephthalate metal–organic framework phase space by coordination and oxidation modulation
Authors: Bara Dominic , Meekel Emily G. , Pakamorė Ignas , Wilson Claire , Ling Sanliang , Forgan Ross S.
Published: October 2021

Modulated self-assembly of Fe-terephthalate metal–organic frameworks allows fine control over phase formation, offers insight into kinetic and thermodynamic landscapes, and the discovery of novel materials in an already well-studied complex system.
Deep eutectic solvent electrolysis for preparing water-soluble magnetic iron oxide nanoparticles
Authors: Jia Haiyang , Sun Jiawei , Dong Meng , Dong Hui , Zhang Hongtao , Xie Xiao
Published: October 2021

A deep-eutectic solvent electrolysis is proposed and developed to synthesize monodisperse water-soluble magnetic iron oxide nanoparticles.
Recent advances in the organocatalytic applications of cyclopropene- and cyclopropenium-based small molecules
Authors: Ranga Pavit K. , Ahmad Feroz , Singh Gurdeep , Tyagi Akshi , Vijaya Anand Ramasamy
Published: October 2021

A comprehensive discussion on the organocatalytic applications of cyclopropene-based small molecules such as cyclopropenium salts, cyclopropenimines, cyclopropenylidenes, and cyclopropenones in organic transformations is reported.
Methyl to trifluoromethyl substitution as a strategy to increase the membrane permeability of short peptides
Authors: Ono Takahiro , Aikawa Kohsuke , Okazoe Takashi , Morimoto Jumpei , Sando Shinsuke
Published: October 2021

CH3 to CF3 substitution on a side chain of proteiogenic amino acids increases the membrane permeability of peptides.
On the rearrangements of biologically-relevant vinyl allene oxides to cis-cyclopentenones, ketols, and Favorskii-type carboxylic acids
Authors: Villar Pedro , Grechkin Alexander N. , González-Pérez Adán B. , de Lera Ángel R.
Published: October 2021

The intriguing rearrangement of naturally occurring vinyl allene oxides to ketols, cyclopropylcarbinols and Favorskii-type carboxylic acids has been computational justified with model systems.
In situ growth of Fe3O4 on montmorillonite surface and its removal of anionic pollutants
Authors: Wu Limei , Liu Jingwen , Liu Yan , Huang Ritong , Tang Ning , Wang Xiaolong , Hu Ling
Published: October 2021

An environmentally functional material for the efficient removal of anionic pollutants in water, was prepared for our study.
Direct evidence of cobalt oxyhydroxide formation on a La0.2Sr0.8CoO3 perovskite water splitting catalyst
Authors: Boucly Anthony , Artiglia Luca , Fabbri Emiliana , Palagin Dennis , Aegerter Dino , Pergolesi Daniele , Novotny Zbynek , Comini Nicolò , Diulus J. Trey , Huthwelker Thomas , Ammann Markus , Schmidt Thomas J.
Published: October 2021

Combining electrochemical measurements with in situ and ex situ photoelectron spectroscopy and simulations to detect the formation of cobalt oxyhydroxide during the oxygen evolution reaction.
Large MOFs: synthesis strategies and applications where size matters
Authors: Zavyalova Anastasia G. , Kladko Daniil V. , Chernyshov Ivan Yu. , Vinogradov Vladimir V.
Published: October 2021

Large (usually more than 30 μm) single crystal 3D and especially 2D metal–organic frameworks (MOFs) are a class of porous materials having great potential to be applied in high-resolution chromatography, separation, photonics, and optoelectronics.
Heat-triggered high-performance thermocells enable a self-powered forest fire alarm
Authors: Yu Boyang , Yang Wei , Li Jia , Xie Wenke , Jin Hongrun , Liu Rong , Wang Hui , Zhuang Xinyan , Qi Bei , Liu Shiyou , Huang Liang , Hu Bin , Duan Jiangjiang , Zhou Jun
Published: October 2021

A heat-triggered high-performance thermocell directly harvesting heat from fire itself for a forest fire alarm was presented.
High-efficiency electrohydrogenation of nitric oxide to ammonia on a Ni2P nanoarray under ambient conditions
Authors: Mou Ting , Liang Jie , Ma Ziyu , Zhang Longcheng , Lin Yiting , Li Tingshuai , Liu Qian , Luo Yonglan , Liu Yang , Gao Shuyan , Zhao Haitao , Asiri Abdullah M. , Ma Dongwei , Sun Xuping
Published: October 2021

A Ni2P nanoarray on carbon paper enables NH3 synthesis via NO reduction (NH3 yield: 33.47 μmol h−1 cm−2; faradaic efficiency: 76.9%). Ni2P-based Zn–NO battery shows a power density of 1.53 mW cm−2 with an NH3 yield of 62.05 μg h−1 mgcat.−1.
Synthesis, classification and properties of hydrogels: their applications in drug delivery and agriculture
Authors: Khan Faisal , Atif Mohd. , Haseen Mohd , Kamal Shahid , Khan Mohd Shoeb , Shahid Shumaila , Nami Shahab A. A.
Published: October 2021

Absorbent polymers or hydrogel polymer materials have an enhanced water retention capacity and are widely used in agriculture and medicine.
Supramolecular hydrogel-infiltrated ceramics composite coating with combined antibacterial and self-lubricating performance
Authors: Ha Wei , Hou Guo-Liang , Qin Wu-Jun , Fu Xiao-Kang , Zhao Xiao-Qin , Wei Xiao-Dong , An Yu-Long , Shi Yan-Ping
Published: October 2021

A bioinspired composite coating is developed with combined antibacterial and lubricating properties, which shows great potential for artificial joint applications.
Various administration forms of decellularized amniotic membrane extract towards improving corneal repair
Authors: Luo Yang , Shen Meiting , Feng Peipei , Qiu Haofeng , Wu Xujin , Yang Lu , Zhu Yabin
Published: October 2021

When dAME is used to treat the cornea damaged by acid burn, it is helpful to reduce the damage seriousness and opacity degree, which is helpful for maintaining the tissue architecture and function.