bluuebunny/crossref_metadata_2025 huggingface dataset:
Solvent-driven fractional crystallization for atom-efficient separation of metal salts from permanent magnet leachates
Authors: Stetson Caleb , Prodius Denis , Lee Hyeonseok , Orme Christopher , White Byron , Rollins Harry , Ginosar Daniel , Nlebedim Ikenna C. , Wilson Aaron D.
Published: July 2022

This work reports a dimethyl ether-driven fractional crystallization process for separating rare earth elements and transition metals. The process has been successfully applied in the treatment of rare earth element-bearing permanent magnet leachates as an atom-efficient, reagent-free separation method. Using ~5 bar pressure, the solvent was dissolved into the aqueous system to displace the contained metal salts as solid precipitates. Treatments at distinct temperatures ranging from 20–31 °C enable crystallization of either lanthanide-rich or transition metal-rich products, with single-stage solute recovery of up to 95.9% and a separation factor as high as 704. Separation factors increase with solution purity, suggesting feasibility for eco-friendly solution treatments in series and parallel to purify aqueous material streams. Staged treatments are demonstrated as capable of further improving the separation factor and purity of crystallized products. Upon completion of a crystallization, the solvent can be recovered with high efficiency at ambient pressure. This separation process involves low energy and reagent requirements and does not contribute to waste generation.
Biomarkers of nanomaterials hazard from multi-layer data
Authors: Fortino Vittorio , Kinaret Pia Anneli Sofia , Fratello Michele , Serra Angela , Saarimäki Laura Aliisa , Gallud Audrey , Gupta Govind , Vales Gerard , Correia Manuel , Rasool Omid , Ytterberg Jimmy , Monopoli Marco , Skoog Tiina , Ritchie Peter , Moya Sergio , Vázquez-Campos Socorro , Handy Richard , Grafström Roland , Tran Lang , Zubarev Roman , Lahesmaa Riitta , Dawson Kenneth , Loeschner Katrin , Larsen Erik Husfeldt , Krombach Fritz , Norppa Hannu , Kere Juha , Savolainen Kai , Alenius Harri , Fadeel Bengt , Greco Dario
Published: July 2022

There is an urgent need to apply effective, data-driven approaches to reliably predict engineered nanomaterial (ENM) toxicity. Here we introduce a predictive computational framework based on the molecular and phenotypic effects of a large panel of ENMs across multiple in vitro and in vivo models. Our methodology allows for the grouping of ENMs based on multi-omics approaches combined with robust toxicity tests. Importantly, we identify mRNA-based toxicity markers and extensively replicate them in multiple independent datasets. We find that models based on combinations of omics-derived features and material intrinsic properties display significantly improved predictive accuracy as compared to physicochemical properties alone.
Non-synchronous bulk photovoltaic effect in two-dimensional interlayer-sliding ferroelectrics
Authors: Xiao Rui-Chun , Gao Yang , Jiang Hua , Gan Wei , Zhang Changjin , Li Hui
Published: July 2022

Spontaneous polarization and bulk photovoltaic effect (BPVE) are two concomitant physical properties in ferroelectric materials. The flipping of ferroelectric order usually accompanies the switching of BPVE in all directions because both of them are reversed under the inversion symmetry. In this study, we report the non-synchronous BPVE in two-dimensional (2D) interlayer-sliding ferroelectric materials featuring unswitchable in-plane BPVE (light-induced photocurrent in the xy plane) and switchable out-of-plane BPVE (light-induced polarization along the z-direction). Symmetry analysis within the abstract bilayer crystal model and first-principles calculations validate these BPVE properties. It is because the positive and negative ferroelectric states caused by interlayer sliding are related by mirror symmetry which cannot flip all the BPVE tensor elements. This finding extends the understanding of the relationship between ferroelectricity and BPVE. On one hand, the switchable out-of-plane BPVE can be used to design switchable photoelectric devices. On the other hand, the in-plane BPVE is robust against the ferroelectric flipping, and the unswitchable character is beneficial to construct larger-scale photoelectric devices.
Unveiling nano-scaled chemical inhomogeneity impacts on corrosion of Ce-modified 2507 super-duplex stainless steels
Authors: Singh Harishchandra , Xiong Yi , Rani Ekta , Wang Shubo , Kharbach Mourad , Zhou Tian , Yao Huai , Niu Yuran , Zakharov Alexei , King Graham , de Groot Frank M. F. , Kömi Jukka , Huttula Marko , Cao Wei
Published: July 2022

The widely used stainless steels and their deformed variants are anticorrosive in ambient conditions due to passivation layers composed of chromium oxides. Conventionally, corrosion and erosion of the steels are attributed to the breakdown of such layers but seldomly to the origin that depends on surface heterogeneity at the microscopic level. In this work, the nanometer-scaled chemical heterogeneity at the surface unveiled via spectro-microscopy and chemometric analysis unexpectedly dominates the breakdown and corrosion behavior of the cold-rolled Ce-modified 2507 super-duplex stainless steels (SDSS) over its hot-deformed counterpart. Though relatively uniformly covered by a native Cr2O3 layer revealed by X-ray photoemission electron microscopy, the cold-rolled SDSS behaved poorly in passivity because of locally distributed Fe3+ rich nano-islands over the Fe/Cr oxide layer. This atomic-level knowledge provides a deep understanding of corrosion of stainless steel and is expected to benefit corrosion controls of similar high-alloyed metals.
Biological sensitivity to environmental context fluctuates dynamically within individuals from day to day
Authors: Armstrong-Carter Emma , Telzer Eva H.
Published: July 2022

This longitudinal, within-subjects study examined whether adolescents’ biological sensitivity to socioeconomic status (SES) for emerging social difficulties varied day to day. Diverse adolescents (N = 315; ages 11–18; 57% female; 25% Asian, 18% Latinx, 11% Black) provided daily diaries and saliva samples for 4 days. We measured biological sensitivity as daily fluctuations in diurnal cortisol slope, and SES as a principal component of family income and maternal education. A robust analysis of 1013 daily assessments revealed that youth from lower SES homes reported greater social difficulties only on days that they exhibited flatter diurnal cortisol slopes, and youth from higher SES homes reported fewer social difficulties on these days. SES was not associated with social difficulties on days that adolescents exhibited steeper, declining diurnal cortisol slopes. Findings support recent theory that risk and resilience are dynamic processes that change within individuals over time. For better and for worse, youth may be more biologically sensitive to their family socioeconomic environments on days that their diurnal cortisol rhythms are flattened.
Forecast and analysis of aircraft passenger satisfaction based on RF-RFE-LR model
Authors: Jiang Xuchu , Zhang Ying , Li Ying , Zhang Biao
Published: July 2022

Airplanes have always been one of the first choices for people to travel because of their convenience and safety. However, due to the outbreak of the new coronavirus epidemic in 2020, the civil aviation industry of various countries in the world has encountered severe challenges. Predicting aircraft passenger satisfaction and excavating the main influencing factors can help airlines improve their services and gain advantages in difficult situations and competition. This paper proposes a RF-RFE-Logistic feature selection model to extract the influencing factors of passenger satisfaction. First, preliminary feature selection is performed using recursive feature elimination based on random forest (RF-RFE). Second, based on different classification models, KNN, logistic regression, random forest, Gaussian Naive Bayes, and BP neural network, the classification performance of the models before and after feature selection is compared, and the prediction model with the best classification performance is selected. Finally, based on the RF-RFE feature selection, combined with the logistic model, the factors affecting customer satisfaction are further extracted. The experimental results show that the RF-RFE model selects a feature subset containing 17 variables. In the classification prediction model, the random forest after RF-RFE feature selection shows the best classification performance. Finally, combined with the four important variables extracted by RF-RFE and logistic regression, further discussion is carried out, and suggestions are given for airlines to improve passenger satisfaction.
Crowd flow forecasting via agent-based simulations with sequential latent parameter estimation from aggregate observation
Authors: Makinoshima Fumiyasu , Oishi Yusuke
Published: July 2022

Unlike conventional crowd simulations for what-if analysis, agent-based crowd simulations for real-time applications are an emerging research topic and an important tool for better crowd managements in smart cities. Recent studies have attempted to incorporate the real-time crowd observations into crowd simulations for real-time crowd forecasting and management; however, crowd flow forecasting considering individual-level microscopic interactions, especially for large crowds, is still challenging. Here, we present a method that incorporates crowd observation data to forecast a large crowd flow, including thousands of individuals, using a microscopic agent-based model. By sequentially estimating both the crowd state and the latent parameter behind the crowd flows from the aggregate crowd density observation with the particle filter algorithm, the present method estimates and forecasts the large crowd flow using agent-based simulations that incorporate observation data. Numerical experiments, including a realistic evacuation scenario with 5000 individuals, demonstrated that the present method could successfully provide reasonable crowd flow forecasting for different crowd scenarios, even with limited information on crowd movements. These results support the feasibility of real-time crowd flow forecasting and subsequent crowd management, even for large but microscopic crowd problems.
Single-cell RNA sequencing data analysis suggests the cell–cell interaction patterns of the pituitary–kidney axis
Authors: Deng Yiyao , Da Jingjing , Yu Jiali , Zhou Chaomin , Yuan Jing , Zha Yan
Published: July 2022

Kidney functions, including electrolyte and water reabsorption and secretion, could be influenced by circulating hormones. The pituitary gland produces a variety of hormones and cytokines; however, the influence of these factors on the kidney has not been well explained and explored. To provide more in-depth information and insights to support the pituitary–kidney axis connection, we used mouse pituitary and kidney single-cell transcriptomics data from the GEO database for further analysis. Based on a ligand–receptor pair analysis, cell–cell interaction patterns between the pituitary and kidney cell types were described. Key ligand–receptor pairs, such as GH-GHR, PTN-SDC2, PTN-SDC4, and DLK1-NOTCH3, were relatively active in the pituitary–kidney axis. These ligand–receptor pairs mainly target proximal tubule cells, principal cells, the loop of Henle, intercalated cells, pericytes, mesangial cells, and fibroblasts, and these cells are related to physiological processes, such as substance reabsorption, angiogenesis, and tissue repair. Our results suggested that the pituitary gland might directly regulate kidney function by secreting multiple hormones or cytokines and indicated that the above ligand–receptor pairs might represent a new research focus for studies on kidney function or kidney disease.
Interleukin 7 inhibit autophagy via P53 regulated AMPK/mTOR signaling pathway in non-small cell lung cancer
Authors: Zhu Yunjia , Jiang Xi , Ding Zhiying , Ming Jian
Published: July 2022

Interleukin 7 (IL-7) has been demonstrated regulating lymphangiogenesis, apoptosis, and proliferation. Whether IL-7 induce or inhibit autophagy in non-small cell lung cancer (NSCLC) are unknown. In this study, Western blot was used to detect cytoplasmic and nuclear protein of p53, total protein of AMP-activated protein kinase (AMPK), mammalian target of rapamycin (mTOR) and Light chain 3 (LC3). Quantitative Real-Time PCR (qRT-PCR) was used to detect p53 mRNA level after treated with IL-7. Then using transmission electron microscopy to observe the morphological change of autophagosome. 123 cases of NSCLC were collected for survival analysis, immunohistochemistry staining and cox regression multivariate analysis. We find that IL-7 induce the p53 translocation from nucleus to cytoplasm, then IL-7 down-regulate phosphorylation of AMPK and up-regulate phosphorylation of mTOR. The expression of AMPK and p53 were associated with IL-7/IL-7R and mTOR expression. Clinically, AMPK and p53 were well correlated with stage and survival of lung cancer patients. IL-7R, mTOR and tumor stage were the strongest predictors of survival. In conclusion, IL-7 inhibit autophagy in NSCLC via P53 regulated AMPK/mTOR signaling pathway. AMPK and p53 are correlated with patients’ survival. IL-7R, mTOR and tumor stage are the strongest predictor of survival.
Biophysical evaluation of treating adipose tissue-derived stem cells using non-thermal atmospheric pressure plasma
Authors: shojaei Elham , Zare Sona , Shirkavand Afshan , Eslami Esmaeil , Fathollah Sara , Mansouri Parvin
Published: July 2022

Non-thermal atmospheric pressure plasma (NTAPP) is a partially ionized gas containing fast electrons and relatively slow ions. This study aims to investigate the influences of NTAPP on human adipose tissue-derived stem cells (ADSCs) and examine the feasibility of using optical spectroscopy as a non-destructive method for cell analysis. A plasma jet is used as the source of low-temperature plasma in which pure helium gas is ionized by a high voltage (8 kV) and frequency (6 kHz). ADSCs were exposed to the NTAPP for 30 s, 60 s, 90 s, and 120 s. The efficiency of the plasma treatment was investigated using flow cytometry and optical spectroscopy methods. This study compared surface markers of NTAPP treated and untreated ADSCs using CD90 and CD105 as positive markers. The result proved that NTAPP-exposed ADSCs maintain their stemming. Measuring ADSCS apoptosis by labeling Annexin V-Propidium Iodide showed that the plasma at short exposure time is relatively non-toxic. However, a longer exposure time can lead to apoptosis and necrosis. Moreover, Cell cycle analysis revealed that NTAPP accelerates the cell cycle in very low doses and can cause proliferation. In this experiment, flow cytometry measurements have been used to determine oxidative stress. The results showed that with increasing plasma dose, intracellular ROS levels reduced. This data also suggests that intracellular ROS are not responsible for the cells' viability. Furthermore, we used reflectance spectroscopy as a non-destructive method for evaluating treatment response and comparing this method with cell analysis techniques. The results indicate spectroscopy's efficiency as a method of cell analysis. This study suggests that NTAPP would be an efficient tool to improve ADSCs culture's efficiency in vitro; thus, we support the potential applications of NTAPP in the field of stem cell therapy and regenerative medicine.
Spectral pruning of fully connected layers
Authors: Buffoni Lorenzo , Civitelli Enrico , Giambagli Lorenzo , Chicchi Lorenzo , Fanelli Duccio
Published: July 2022

Training of neural networks can be reformulated in spectral space, by allowing eigenvalues and eigenvectors of the network to act as target of the optimization instead of the individual weights. Working in this setting, we show that the eigenvalues can be used to rank the nodes’ importance within the ensemble. Indeed, we will prove that sorting the nodes based on their associated eigenvalues, enables effective pre- and post-processing pruning strategies to yield massively compacted networks (in terms of the number of composing neurons) with virtually unchanged performance. The proposed methods are tested for different architectures, with just a single or multiple hidden layers, and against distinct classification tasks of general interest.
Histological analysis of sleep and circadian brain circuitry in cranial radiation-induced hypersomnolence (C-RIH) mouse model
Authors: Shuboni-Mulligan Dorela D. , Young Demarrius , De La Cruz Minyety Julianie , Briceno Nicole , Celiku Orieta , King Amanda L. , Munasinghe Jeeva , Wang Herui , Adegbesan Kendra A. , Gilbert Mark R. , Smart DeeDee K. , Armstrong Terri S.
Published: July 2022

Disrupted sleep, including daytime hypersomnolence, is a core symptom reported by primary brain tumor patients and often manifests after radiotherapy. The biological mechanisms driving the onset of sleep disturbances after cranial radiation remains unclear but may result from treatment-induced injury to neural circuits controlling sleep behavior, both circadian and homeostatic. Here, we develop a mouse model of cranial radiation-induced hypersomnolence which recapitulates the human experience. Additionally, we used the model to explore the impact of radiation on the brain. We demonstrated that the DNA damage response following radiation varies across the brain, with homeostatic sleep and cognitive regions expressing higher levels of γH2AX, a marker of DNA damage, than the circadian suprachiasmatic nucleus (SCN). These findings were supported by in vitro studies comparing radiation effects in SCN and cortical astrocytes. Moreover, in our mouse model, MRI identified structural effects in cognitive and homeostatic sleep regions two-months post-treatment. While the findings are preliminary, they suggest that homeostatic sleep and cognitive circuits are vulnerable to radiation and these findings may be relevant to optimizing treatment plans for patients.
Insights from one thousand cloned dogs
Authors: Olsson P. Olof , Jeong Yeon Woo , Jeong Yeonik , Kang Mina , Park Gang Bae , Choi Eunji , Kim Sun , Hossein Mohammed Shamim , Son Young-Bum , Hwang Woo Suk
Published: July 2022

Animal cloning has been popularized for more than two decades, since the birth of Dolly the Sheep 25 years ago in 1996. There has been an apparent waning of interest in cloning, evident by a reduced number of reports. Over 1500 dogs, representing approximately 20% of the American Kennel Club’s recognized breeds, have now been cloned, making the dog (Canis familiaris) one of the most successfully cloned mammals. Dogs have a unique relationship with humans, dating to prehistory, and a high degree of genome homology to humans. A number of phenotypic variations, rarely recorded in natural reproduction have been observed in in these more than 1000 clones. These observations differ between donors and their clones, and between clones from the same donor, indicating a non-genetic effect. These differences cannot be fully explained by current understandings but point to epigenetic and cellular reprograming effects of somatic cell nuclear transfer. Notably, some phenotypic variations have been reversed through further cloning. Here we summarize these observations and elaborate on the cloning procedure.
Computational assessment of groundwater salinity distribution within coastal multi-aquifers of Bangladesh
Authors: Jamei Mehdi , Karbasi Masoud , Malik Anurag , Abualigah Laith , Islam Abu Reza Md Towfiqul , Yaseen Zaher Mundher
Published: July 2022

The rising salinity trend in the country’s coastal groundwater has reached an alarming rate due to unplanned use of groundwater in agriculture and seawater seeping into the underground due to sea-level rise caused by global warming. Therefore, assessing salinity is crucial for the status of safe groundwater in coastal aquifers. In this research, a rigorous hybrid neurocomputing approach comprised of an Adaptive Neuro-Fuzzy Inference System (ANFIS) hybridized with a new meta-heuristic optimization algorithm, namely Aquila optimization (AO) and the Boruta-Random forest feature selection (FS) was developed for estimating the salinity of multi-aquifers in coastal regions of Bangladesh. In this regard, 539 data samples, including ten water quality indices, were collected to provide the predictive model. Moreover, the individual ANFIS, Slime Mould Algorithm (SMA), and Ant Colony Optimization for Continuous Domains (ACOR) coupled with ANFIS (i.e., ANFIS-SMA and ANFIS-ACOR) and LASSO regression (Lasso-Reg) schemes were examined to compare with the primary model. Several goodness-of-fit indices, such as correlation coefficient (R), the root mean squared error (RMSE), and Kling-Gupta efficiency (KGE) were used to validate the robustness of the predictive models. Here, the Boruta-Random Forest (B-RF), as a new robust tree-based FS, was adopted to identify the most significant candidate inputs and effective input combinations to reduce the computational cost and time of the modeling. The outcomes of four selected input combinations ascertained that the ANFIS-OA regarding the best accuracy in terms of (R = 0.9450, RMSE = 1.1253 ppm, and KGE = 0.9146) outperformed the ANFIS-SMA (R = 0.9406, RMSE = 1.1534 ppm, and KGE = 0.8793), ANFIS-ACOR (R = 0.9402, RMSE = 1.1388 ppm, and KGE = 0.8653), Lasso-Reg (R = 0.9358), and ANFIS (R = 0.9306) models. Besides, the first candidate input combination (C1) by three inputs, including Cl−(mg/l), Mg2+(mg/l), Na+(mg/l), yielded the best accuracy among all alternatives, implying the role importance of (B-RF) feature selection. Finally, the spatial salinity distribution assessment in the study area ascertained the high predictability potential of the ANFIS-OA hybrid with B-RF feature selection compared to other paradigms. The most important novelty of this research is using a robust framework comprised of the non-linear data filtering technique and a new hybrid neuro-computing approach, which can be considered as a reliable tool to assess water salinity in coastal aquifers.
Extended disordered regions of ribosome-associated NAC proteins paralogs belong only to the germline in Drosophila melanogaster
Authors: Kogan Galina L. , Mikhaleva Elena A. , Olenkina Oxana M. , Ryazansky Sergei S. , Galzitskaya Oxana V. , Abramov Yuri A. , Leinsoo Toomas A. , Akulenko Natalia V. , Lavrov Sergey A. , Gvozdev Vladimir A.
Published: July 2022

The nascent polypeptide-associated complex (NAC) consisting of α- and β-subunits is an essential ribosome-associated protein conserved in eukaryotes. NAC is a ubiquitously expressed co-translational regulator of nascent protein folding and sorting providing for homeostasis of cellular proteins. Here we report on discovering the germline-specific NACαβ paralogs (gNACs), whose β-subunits, non-distinguishable by ordinary immunodetection, are encoded by five highly homologous gene copies, while the α-subunit is encoded by a single αNAC gene. The gNAC expression is detected in the primordial embryonic and adult gonads via immunostaining. The germline-specific α and β subunits differ from the ubiquitously expressed paralogs by the extended intrinsically disordered regions (IDRs) acquired at the N- and C-termini of the coding regions, predicted to be phosphorylated. The presence of distinct phosphorylated isoforms of gNAC-β subunits is confirmed by comparing of their profiles by 2D-isoeletrofocusing resolution before and after phosphatase treatment of testis ribosomes. We revealed that the predicted S/T sites of phosphorylation in the individual orthologous IDRs of gNAC-β sequences of Drosophila species are positionally conserved despite these disordered regions are drastically different. We propose the IDR-dependent molecular crowding and specific coordination of NAC and other proteostasis regulatory factors at the ribosomes of germinal cells. Our findings imply that there may be a functional crosstalk between the germinal and ubiquitous α- and β-subunits based on assessing their depletion effects on the fly viability and gonad development.
The relationship between osteoporosis and depression
Authors: Kashfi Seyyed Sadra , Abdollahi Gholamreza , Hassanzadeh Jafar , Mokarami Hamidreza , Khani Jeihooni Ali
Published: July 2022

Osteoporosis is the most common metabolic bone disease. The complications of osteoporosis have influence on people's lives and lead to anxiety and depression. The aim of this study was to determine the relationship between osteoporosis and depression among Iranian patients. This cross-sectional analytical survey study conducted among 500 patients referred to a Bone Densitometry Center in Iran. They were assigned into with osteoporosis group (n = 250) and non-affected group (n = 250). The Persian version of the 13-item Beck Depression Inventory (BDI) was used to assess depression. ANOVA, independent t-test, chi-square were used to compare the data. All analyses were done using SPSS version 22 software. A P value ≤ 0.05 represented statistical significance. The majority of people with osteoporosis (86.9%), suffered from mild to moderate depression and the majority of normal people (84.6%) were non-depressed. The mean scores (SD) of depressions in the patients with osteoporosis and normal status was 6.94 (2.39) and 2.50 (1.01), respectively. Statistical analyses showed that the mean scores of depressions significantly different between the two groups (P < 0.05). The results indicate that depression is associated with osteoporosis. As a result, physicians are expected to pay attention to depression in people with osteoporosis and to treat it.
Experimental study of cavitating flow around a NACA 0012 hydrofoil in a slit channel
Authors: Skripkin Sergey G. , Tsoy Mikhail A. , Kravtsova Aleksandra Yu.
Published: July 2022

An experimental study of a cavitating NACA0012 hydrofoil with aspect ratio 0.02 in a slit channel was carried out using a high-speed visualization at sampling rate more than 100 kHz. The features of the formation and development of cavities in a quasi-two-dimensional turbulent flow were studied. The most energetic modes of unsteady cavitation flow around the hydrofoil were obtained using dynamic mode decomposition. The presence of the second and third modes in the cavitation flow is shown here for the first time. It was shown that each of these modes corresponds to a certain period of development of the unsteady cavity. Experimental data on the reverse motion of the vapor–gas mixture into the inner region of supercavitation are presented.
In silico screening of some compounds derived from the desert medicinal plant Rhazya stricta for the potential treatment of COVID-19
Authors: Baeshen Nabih A. , Albeshri Abdulaziz O. , Baeshen Naseebh N. , Attar Roba , Karkashan Alaa , Abbas Basma , Bouback Thamer A. , Aljaddawi Abdullah A. , Refai Mohammed Y. , Abdelkader Hayam S. , Al Tamim Abdullah , Alowaifeer Abdullah , Ahmed Firoz , Baeshen Mohammed N.
Published: July 2022

The latest coronavirus pandemic (SARS-CoV-2) poses an exceptional threat to human health and society worldwide. The coronavirus (SARS-CoV-2) spike (S) protein, which is required for viral–host cell penetration, might be considered a promising and suitable target for treatment. In this study, we utilized the nonalkaloid fraction of the medicinal plantRhazya strictato computationally investigate its antiviral activity against SARS-CoV-2. Molecular docking and molecular dynamics simulations were the main tools used to examine the binding interactions of the compounds isolated by HPLC analysis. Ceftazidime was utilized as a reference control, which showed high potency against the SARS-CoV-2 receptor binding domain (RBD) in an in vitro study. The five compounds (CID:1, CID:2, CID:3, CID:4, and CID:5) exhibited remarkable binding affinities (CID:1, − 8.9; CID:2, − 8.7; and CID:3, 4, and 5, − 8.5 kcal/mol) compared to the control compound (− 6.2 kcal/mol). MD simulations over a period of 200 ns further corroborated that certain interactions occurred with the five compounds and the nonalkaloidal compounds retained their positions within the RBD active site. CID:2, CID:4, and CID:5 demonstrated high stability and less variance, while CID:1 and CID:3 were less stable than ceftazidime. The average number of hydrogen bonds formed per timeframe by CID:1, CID:2, CID:3, and CID:5 (0.914, 0.451, 1.566, and 1.755, respectively) were greater than that formed by ceftazidime (0.317). The total binding free energy calculations revealed that the five compounds interacted more strongly within RBD residues (CID:1 = − 68.8, CID:2 = − 71.6, CID:3 = − 74.9, CID:4 = − 75.4, CID:5 = − 60.9 kJ/mol) than ceftazidime (− 34.5 kJ/mol). The drug-like properties of the selected compounds were relatively similar to those of ceftazidime, and the toxicity predictions categorized these compounds into less toxic classes. Structural similarity and functional group analyses suggested that the presence of more H-acceptor atoms, electronegative atoms, acidic oxygen groups, and nitrogen atoms in amide or aromatic groups were common among the compounds with the lowest binding affinities. In conclusion, this in silico work predicts for the first time the potential of using fiveR. strictanonalkaloid compounds as a treatment strategy to control SARS-CoV-2 viral entry.
Optimization of industrial (3000 L) production of Bacillus subtilis CW-S and its novel application for minituber and industrial-grade potato cultivation
Authors: Abuhena Md. , Al-Rashid Jubair , Azim Md. Faisal , Khan Md. Niuz Morshed , Kabir Md. Golam , Barman Nirmal Chandra , Rasul Noorain Munim , Akter Shahina , Huq Md. Amdadul
Published: July 2022

A commercial plant probiotic product was developed employing Bacillus subtilis CW-S in submerged fermentation. The effects of molasses and urea on cell growth were investigated with the goal of low-cost manufacturing. Plackett–Burman and Central-Composite Design (CCD) were utilized to optimize production parameters to maximize productivity. The stability of the formulated product and its efficacy in cultivating minituber in aeroponics and industrial-grade potatoes in the field were assessed. The results showed that the medium BS10 (molasses and urea) produced satisfactory cell density (7.19 × 108 CFU/mL) as compared to the control (1.51 × 107 CFU/mL) and BS1-BS9 (expensive) media (1.84 × 107–1.37 × 109 CFU/mL). According to validated CCD results, optimized parameters fitted well in pilot (300 L; 2.05 × 109 CFU/mL) and industrial (3000 L; 2.01 × 109 CFU/mL) bioreactors, resulting in a two-fold increase in cell concentration over laboratory (9.84 × 108 CFU/mL) bioreactors. In aeroponics, CW-S produced excellent results, with a significant increase in the quantity and weight of minitubers and the survival rate of transplanted plantlets. In a field test, the yield of industrial-grade (> 55 mm) potatoes was increased with a reduction in fertilizer dose. Overall, the findings suggest that CW-S can be produced commercially utilizing the newly developed media and optimized conditions, making plant probiotics more cost-effective and accessible to farmers for crop cultivation, particularly in aeroponic minituber and industrial-grade potato production.
New insights on the evolutionary relationships between the major lineages of Amoebozoa
Authors: Tekle Yonas I. , Wang Fang , Wood Fiona C. , Anderson O. Roger , Smirnov Alexey
Published: July 2022

The supergroup Amoebozoa unites a wide diversity of amoeboid organisms and encompasses enigmatic lineages that have been recalcitrant to modern phylogenetics. Deep divergences, taxonomic placement of some key taxa and character evolution in the group largely remain poorly elucidated or controversial. We surveyed available Amoebozoa genomes and transcriptomes to mine conserved putative single copy genes, which were used to enrich gene sampling and generate the largest supermatrix in the group to date; encompassing 824 genes, including gene sequences not previously analyzed. We recovered a well-resolved and supported tree of Amoebozoa, revealing novel deep level relationships and resolving placement of enigmatic lineages congruent with morphological data. In our analysis the deepest branching group is Tubulinea. A recent proposed major clade Tevosa, uniting Evosea and Tubulinea, is not supported. Based on the new phylogenetic tree, paleoecological and paleontological data as well as data on the biology of presently living amoebozoans, we hypothesize that the evolution of Amoebozoa probably was driven by adaptive responses to a changing environment, where successful survival and predation resulted from a capacity to disrupt and graze on microbial mats-a dominant ecosystem of the mid-Proterozoic period of the Earth history.
Association between interleukin 10 (IL-10) polymorphisms and leishmaniasis progression: a systematic review and meta-analysis
Authors: da Silva Renata Rocha , Vasconcelos Fernanda de Santana Fontes , Tavares Débora dos Santos , dos Santos Priscila Lima
Published: July 2022

Interleukin 10 (IL-10) is associated with the progression of leishmaniasis because it inhibits the leishmanicidal action of macrophages and the production of mediators such as IFN-γ and nitric oxide. Studies have shown that specific polymorphisms are associated with the regulatory role of IL-10 and the development of more relevant clinical forms of leishamaniasis. We performed a systematic review and meta-analysis to determine whether single nucleotide polymorphisms (SNPs) of IL-10 influence the progression of leishmaniasis. The selected articles were read in full and only those consistent with the eligibility criteria were included in our study. Seven studies were eligible according to the inclusion criteria and were included in the present systematic review, but only five were subjected to statistical analysis. The pooled odds ratios showed no significant association between the rs1800871 SNP and the progression of leishmaniasis in all genotype models, including the dominant, recessive, homozygote, heterozygote, and allelic models. Regarding the association between rs1800896 SNP and the progression of leishmaniasis, the pooled odds ratios showed no association under all genotype models. Hence, IL-10 SNPs did not show significant association and were not considered a risk factor for the progression of leishmaniasis.
In-resin CLEM of Epon-embedded cells using proximity labeling
Authors: Sanada Takahito , Yamaguchi Junji , Furuta Yoko , Kakuta Soichiro , Tanida Isei , Uchiyama Yasuo
Published: July 2022

Biotin ligases have been developed as proximity biotinylation enzymes for analyses of the interactome. However, there has been no report on the application of proximity labeling for in-resin correlative light-electron microscopy of Epon-embedded cells. In this study, we established a proximity-labeled in-resin CLEM of Epon-embedded cells using miniTurbo, a biotin ligase. Biotinylation by miniTurbo was observed in cells within 10 min following the addition of biotin to the medium. Using fluorophore-conjugated streptavidin, intracellular biotinylated proteins were labeled after fixation of cells with a mixture of paraformaldehyde and glutaraldehyde. Fluorescence of these proteins was resistant to osmium tetroxide staining and was detected in 100-nm ultrathin sections of Epon-embedded cells. Ultrastructures of organelles were preserved well in the same sections. Fluorescence in sections was about 14-fold brighter than that in the sections of Epon-embedded cells expressing mCherry2 and was detectable for 14 days. When mitochondria-localized miniTurbo was expressed in the cells, mitochondria-like fluorescent signals were detected in the sections, and ultrastructures of mitochondria were observed as fluorescence-positive structures in the same sections by scanning electron microscopy. Proximity labeling using miniTurbo led to more stable and brighter fluorescent signals in the ultrathin sections of Epon-embedded cells, resulting in better performance of in-resin CLEM.
MICU1 controls spatial membrane potential gradients and guides Ca2+ fluxes within mitochondrial substructures
Authors: Gottschalk Benjamin , Koshenov Zhanat , Waldeck-Weiermair Markus , Radulović Snježana , Oflaz Furkan E. , Hirtl Martin , Bachkoenig Olaf A. , Leitinger Gerd , Malli Roland , Graier Wolfgang F.
Published: July 2022

Mitochondrial ultrastructure represents a pinnacle of form and function, with the inner mitochondrial membrane (IMM) forming isolated pockets of cristae membrane (CM), separated from the inner-boundary membrane (IBM) by cristae junctions (CJ). Applying structured illumination and electron microscopy, a novel and fundamental function of MICU1 in mediating Ca2+ control over spatial membrane potential gradients (SMPGs) between CM and IMS was identified. We unveiled alterations of SMPGs by transient CJ openings when Ca2+ binds to MICU1 resulting in spatial cristae depolarization. This Ca2+/MICU1-mediated plasticity of the CJ further provides the mechanistic bedrock of the biphasic mitochondrial Ca2+ uptake kinetics via the mitochondrial Ca2+ uniporter (MCU) during intracellular Ca2+ release: Initially, high Ca2+ opens CJ via Ca2+/MICU1 and allows instant Ca2+ uptake across the CM through constantly active MCU. Second, MCU disseminates into the IBM, thus establishing Ca2+ uptake across the IBM that circumvents the CM. Under the condition of MICU1 methylation by PRMT1 in aging or cancer, UCP2 that binds to methylated MICU1 destabilizes CJ, disrupts SMPGs, and facilitates fast Ca2+ uptake via the CM.
Positional cues and cell division dynamics drive meristem development and archegonium formation in Ceratopteris gametophytes
Authors: Geng Yuan , Yan An , Zhou Yun
Published: July 2022

Fern gametophytes are autotrophic and independent of sporophytes, and they develop pluripotent meristems that drive prothallus development and sexual reproduction. To reveal cellular dynamics during meristem development in fern gametophytes, we performed long-term time-lapse imaging and determined the real-time lineage, identity and division activity of each single cell from meristem initiation to establishment in gametophytes of the fern Ceratopteris richardii. Our results demonstrate that in Ceratopteris gametophytes, only a few cell lineages originated from the marginal layer contribute to meristem initiation and proliferation, and the meristem lacks a distinguishable central zone or apical cell with low division activity. Within the meristem, cell division is independent of cell lineages and cells at the marginal layer are more actively dividing than inner cells. Furthermore, the meristem triggers differentiation of adjacent cells into egg-producing archegonia in a position-dependent manner. These findings advance the understanding of diversified meristem and gametophyte development in land plants.
Introduction and Background to Microbiome Research
Authors: Pierre Joseph F.
Published: July 2022

Metabolism of Nutrients by Gut Microbiota is a timely collection of works focussing on the functional roles of intestinal microorganisms and their diverse metabolites that interface with the host under various dietary inputs and circumstances relevant to human health. Chapters focus on host–microbial interactions under different major macronutrient dietary intakes, the state of prebiotics, probiotics, and synbiotics, interactions between microbes and drug metabolism, how initial microbial colonizers following birth shape lifelong chronic disease risk and metabolism, and the role of microbes in bariatric surgically induced weight loss. We have placed specific emphasis on the functional roles microbes play within the host, as we move beyond descriptive explorations of the microbiome and delve into more focused determination of the mechanisms underpinning microbial contribution to health and disease. This collection of work will be of interest to the lay audience, science enthusiast, industry partners, and career academics alike.
An S-scheme α-Fe2O3/Cu2O photocatalyst for an enhanced primary amine oxidative coupling reaction under visible light
Authors: Li Zhen , Ye Shan , Qiu Ping , Liao Xiaoyuan , Yao Yue , Zhang Jingzhao , Jiang Yan , Lu Shuxiang
Published: July 2022

Photoredox catalysis under visible light has been recorded as a potential and reassuring recipe for organic synthesis.
Modifying the internal substituents of self-assembled cages controls their molecular recognition and optical properties
Authors: Woods Connor Z. , Wu Hoi-Ting , Ngai Courtney , da Camara Bryce , Julian Ryan R. , Hooley Richard J.
Published: July 2022

Varying the functional groups in endohedrally functionalized self-assembled Fe4L6 cages allows control of binding affinity and stoichiometry, and fluorescence emission.
Metabolic alterations in alga Chlamydomonas reinhardtii exposed to nTiO2 materials
Authors: Liu Wei , Li Mengting , Li Weiwei , Keller Arturo A. , Slaveykova Vera I.
Published: July 2022

Combination of transcriptomics, metabolomics and physiology studies highlighted the nanoparticle size- and concentration-dependent disturbance in algal metabolism induced by nTiO2.
Recent progress in environmental remediation, colloidal behavior and biological effects of MXene: a review
Authors: Chen Lili , Wakeel Muhammad , Ul Haq Tanveer , Alharbi Njud S. , Chen Changlun , Ren Xuemei
Published: July 2022

Recent progress in environmental remediation, colloidal behavior and biological effects of MXene was summarized.
Defect-suppressed submillimeter-scale WS2 single crystals with high photoluminescence quantum yields by alternate-growth-etching CVD
Authors: Xin Xing , Zhang Yanmei , Chen Jiamei , Chen Mao-Lin , Xin Wei , Ding Mengfan , Bao Youzhe , Liu Weizhen , Xu Haiyang , Liu Yichun
Published: July 2022

An alternate-growth-etching CVD method was demonstrated to fabricate defect-suppressed submillimeter-scale monolayer WS2 single crystals with high photoluminescence quantum yields (PL QYs, ∼52.6%).
Molybdenum-iron–cobalt oxyhydroxide with rich oxygen vacancies for the oxygen evolution reaction
Authors: Zhang Yechuan , Gu Zhengxiang , Bi Jingxiu , Jiao Yan
Published: July 2022

The introduction of iron and molybdenum in catalytic systems has been employed to optimize the nanostructure and improve its catalytic performance toward OER.
Manganese(iii)-promoted highly stereoselective phosphorylation of acyclic tertiary enamides to synthesize E-selective β-phosphoryl enamides
Authors: Xu Xin-Ming , Li Wenzhong , Li Qiwei , Chen Sen , Zhang Xuesi , Yang Bin , Wang Wei-Li
Published: July 2022

A concise manganese(iii)-promoted stereoselective β-phosphorylation of tertiary enamides and diverse H-phosphine oxides was achieved, which proceeds with absolute E-selectivity in high efficiency and is the first case of E-selective β-phosphorylation of tertiary enamides.
Biomimetic total synthesis of plakortone Q via acid-mediated tandem cyclization
Authors: Okazaki Shinnosuke , Senda Kaho , Tokuta Ayaka , Inagaki Misa , Kamaike Kazuo , Ota Koichiro , Miyaoka Hiroaki
Published: July 2022

This study reports the biomimetic total synthesis of the marine polyketide plakortone Q via acid-mediated tandem cyclization.
Investigating miscibility and lithium ion transport in blends of poly(ethylene oxide) with a polyanion containing precisely-spaced delocalized charges
Authors: Nguyen Nam , Blatt Michael Patrick , Kim Kyoungmin , Hallinan Daniel T. , Kennemur Justin G.
Published: July 2022

Synthesis of a precision single ion conductor with a phenylsulfonyl (TFSI) lithium salt pendant at every 5th carbon is reported and miscibility, conductivity, and transference studies are performed upon blending with PEO at varying compositions.
Fabrication of dual-functional electrodes using oxygen vacancy abundant NiCo2O4nanosheets for advanced hybrid supercapacitors and Zn-ion batteries
Authors: Wei Jinhe , Guo Jiaqing , Wang Siyu , Ding Ning , Xu Pengcheng , Wang Ping , Han Dandan , Wei Yen , Yin Xiaohong
Published: July 2022

V-ZnCo2O4/Ni composites with rich oxygen vacancies are designed through a hydrothermal method followed by post calcination and reduction. This strategy enhanced electrical conductivity, modulated electronic structure, and increased active sites.
Correction: Biofunctional Janus particles promote phagocytosis of tumor cells by macrophages
Authors: Zhang Ya-Ru , Luo Jia-Qi , Li Jia-Xian , Huang Qiu-Yue , Shi Xiao-Xiao , Huang Yong-Cong , Leong Kam W. , He Wei-ling , Du Jin-Zhi
Published: July 2022

Correction for ‘Biofunctional Janus particles promote phagocytosis of tumor cells by macrophages’ by Ya-Ru Zhang et al., Chem. Sci., 2020, 11, 5323–5327, https://doi.org/10.1039/D0SC01146K.
An environment-friendly and acid-degradable polymer templated synthesis of single-crystal hierarchical zeolites
Authors: Hu Yuan , Yue Yuan-Yuan , Wang Chan , Zhu Hai-Bo , Oyama S. Ted , Bao Xiao-Jun
Published: July 2022

A green and novel strategy to construct single-crystal hierarchical zeolites has been developed by using a degradable polymer as a multiple-functional template. The obtained MFI zeolite shows excellent catalytic activity in bulky molecules cracking.
Symmetry breaking in Ge1−xMnxTe and the impact on thermoelectric transport
Authors: Adamczyk Jesse M. , Bipasha Ferdaushi A. , Rome Grace Ann , Ciesielski Kamil , Ertekin Elif , Toberer Eric S.
Published: July 2022

Unification of experiment and computation show how Mn alters the crystal and electronic band structure of the Ge1−xMnxTe alloy space. As a result, the effective mass is dramatically increased and the thermoelectric performance is improved.
The unique opportunities of mechanosynthesis in green and scalable fabrication of metal–organic frameworks
Authors: Afshariazar Farzaneh , Morsali Ali
Published: July 2022

Significant role of mechanosynthesis techniques to obtain MOF materials with remarkable practical applications.
Solution-processed metal doping of sub-3 nm SnO2 quantum wires for enhanced H2S sensing at low temperature
Authors: Yan Jia , Guo Xuyun , Zhu Ye , Song Zhilong , Lee Lawrence Yoon Suk
Published: July 2022

Sub-3 nm metal-doped SnO2 quantum wires (QWs) were synthesized using a solution process. The sensor film prepared using W-doped SnO2 QWs at room temperature achieves enhanced low-temperature H2S-sensing with a record limit of detection of 0.48 ppb.
Advancing cathodic electrocatalysis via an in situ generated dense active interlayer based on CuO5 pyramid-structured Sm2Ba1.33Ce0.67Cu3O9
Authors: Hou Jie , Gong Junyi , Bi Lei
Published: July 2022

Due to the synchronous occurrence of densifying process and Ba element segregation under a linear current sweeping technique, a 2 μm thick dense active cathode functional interlayer is formed, outputting 1669 and 905 mW cm−2 at 700 and 600 °C.
Correction: Ion-selective aramid nanofiber-based Janus separators fabricated by a dry-wet phase inversion approach for lithium–sulfur batteries
Authors: Pei Huijie , Yang Chengyin , Wu Qiyue , Zhou Xingping , Xie Xiaolin , Hwang Bingjoe , Ye Yunsheng
Published: July 2022

Correction for ‘Ion-selective aramid nanofiber-based Janus separators fabricated by a dry-wet phase inversion approach for lithium–sulfur batteries’ by Huijie Pei et al., J. Mater. Chem. A, 2022, 10, 5317–5327, https://doi.org/10.1039/D1TA09533A.
A multifunctional flexible sensor with coupling bionic microstructures inspired by nature
Authors: Liu Linpeng , Meng Xiancun , Zhang Changchao , Chen You , Sun Tao , Lu Zhilai , Zhang Junqiu , Niu Shichao , Han Zhiwu , Duan Ji-An
Published: July 2022

A strategy of coupling bionics is adopted on a paper-based sensor to achieve these excellent functions simultaneously, including multivariable detection, ultrasensitivity, waterproof and underwater applications.
Intrinsically stretchable photonic synaptic transistors for retina-like visual image systems
Authors: Xu Fan , Zhang Cong , Zhao Xiaoli , Yu Hongyan , Zhao Guodong , Li Juntong , Wang Bin , Tong Yanhong , Tang Qingxin , Liu Yichun
Published: July 2022

An intrinsically stretchable photonic synaptic transistor inspired by the photoelectric conversion function and elastic structure of human retina was developed.