bluuebunny/crossref_metadata_2025 huggingface dataset:
Engineering probiotics to inhibit Clostridioides difficile infection by dynamic regulation of intestinal metabolism
Authors: Koh Elvin , Hwang In Young , Lee Hui Ling , De Sotto Ryan , Lee Jonathan Wei Jie , Lee Yung Seng , March John C. , Chang Matthew Wook
Published: July 2022

Clostridioides difficile infection (CDI) results in significant morbidity and mortality in hospitalised patients. The pathogenesis of CDI is intrinsically related to the ability of C. difficile to shuffle between active vegetative cells and dormant endospores through the processes of germination and sporulation. Here, we hypothesise that dysregulation of microbiome-mediated bile salt metabolism contributes to CDI and that its alleviation can limit the pathogenesis of CDI. We engineer a genetic circuit harbouring a genetically encoded sensor, amplifier and actuator in probiotics to restore intestinal bile salt metabolism in response to antibiotic-induced microbiome dysbiosis. We demonstrate that the engineered probiotics limited the germination of endospores and the growth of vegetative cells of C. difficile in vitro and further significantly reduced CDI in model mice, as evidenced by a 100% survival rate and improved clinical outcomes. Our work presents an antimicrobial strategy that harnesses the host-pathogen microenvironment as the intervention target to limit the pathogenesis of infection.
Structures and gating mechanisms of human bestrophin anion channels
Authors: Owji Aaron P. , Wang Jiali , Kittredge Alec , Clark Zada , Zhang Yu , Hendrickson Wayne A. , Yang Tingting
Published: July 2022

Bestrophin-1 (Best1) and bestrophin-2 (Best2) are two members of the bestrophin family of calcium (Ca2+)-activated chloride (Cl−) channels with critical involvement in ocular physiology and direct pathological relevance. Here, we report cryo-EM structures of wild-type human Best1 and Best2 in various states at up to 1.8 Å resolution. Ca2+-bound Best1 structures illustrate partially open conformations at the two Ca2+-dependent gates of the channels, in contrast to the fully open conformations observed in Ca2+-bound Best2, which is in accord with the significantly smaller currents conducted by Best1 in electrophysiological recordings. Comparison of the closed and open states reveals a C-terminal auto-inhibitory segment (AS), which constricts the channel concentrically by wrapping around the channel periphery in an inter-protomer manner and must be released to allow channel opening. Our results demonstrate that removing the AS from Best1 and Best2 results in truncation mutants with similar activities, while swapping the AS between Best1 and Best2 results in chimeric mutants with swapped activities, underlying a key role of the AS in determining paralog specificity among bestrophins.
Sex differences in heart mitochondria regulate diastolic dysfunction
Authors: Cao Yang , Vergnes Laurent , Wang Yu-Chen , Pan Calvin , Chella Krishnan Karthickeyan , Moore Timothy M. , Rosa-Garrido Manuel , Kimball Todd H. , Zhou Zhiqiang , Charugundla Sarada , Rau Christoph D. , Seldin Marcus M. , Wang Jessica , Wang Yibin , Vondriska Thomas M. , Reue Karen , Lusis Aldons J.
Published: July 2022

Heart failure with preserved ejection fraction (HFpEF) exhibits a sex bias, being more common in women than men, and we hypothesize that mitochondrial sex differences might underlie this bias. As part of genetic studies of heart failure in mice, we observe that heart mitochondrial DNA levels and function tend to be reduced in females as compared to males. We also observe that expression of genes encoding mitochondrial proteins are higher in males than females in human cohorts. We test our hypothesis in a panel of genetically diverse inbred strains of mice, termed the Hybrid Mouse Diversity Panel (HMDP). Indeed, we find that mitochondrial gene expression is highly correlated with diastolic function, a key trait in HFpEF. Consistent with this, studies of a “two-hit” mouse model of HFpEF confirm that mitochondrial function differs between sexes and is strongly associated with a number of HFpEF traits. By integrating data from human heart failure and the mouse HMDP cohort, we identify the mitochondrial gene Acsl6 as a genetic determinant of diastolic function. We validate its role in HFpEF using adenoviral over-expression in the heart. We conclude that sex differences in mitochondrial function underlie, in part, the sex bias in diastolic function.
Myotonic dystrophy RNA toxicity alters morphology, adhesion and migration of mouse and human astrocytes
Authors: Dincã Diana M. , Lallemant Louison , González-Barriga Anchel , Cresto Noémie , Braz Sandra O. , Sicot Géraldine , Pillet Laure-Elise , Polvèche Hélène , Magneron Paul , Huguet-Lachon Aline , Benyamine Hélène , Azotla-Vilchis Cuauhtli N. , Agonizantes-Juárez Luis E. , Tahraoui-Bories Julie , Martinat Cécile , Hernández-Hernández Oscar , Auboeuf Didier , Rouach Nathalie , Bourgeois Cyril F. , Gourdon Geneviève , Gomes-Pereira Mário
Published: July 2022

Brain dysfunction in myotonic dystrophy type 1 (DM1), the prototype of toxic RNA disorders, has been mainly attributed to neuronal RNA misprocessing, while little attention has been given to non-neuronal brain cells. Here, using a transgenic mouse model of DM1 that expresses mutant RNA in various brain cell types (neurons, astroglia, and oligodendroglia), we demonstrate that astrocytes exhibit impaired ramification and polarization in vivo and defects in adhesion, spreading, and migration. RNA-dependent toxicity and phenotypes are also found in human transfected glial cells. In line with the cell phenotypes, molecular analyses reveal extensive expression and accumulation of toxic RNA in astrocytes, which result in RNA spliceopathy that is more severe than in neurons. Astrocyte missplicing affects primarily transcripts that regulate cell adhesion, cytoskeleton, and morphogenesis, and it is confirmed in human brain tissue. Our findings demonstrate that DM1 impacts astrocyte cell biology, possibly compromising their support and regulation of synaptic function.
Magnetic freeze-out and anomalous Hall effect in ZrTe5
Authors: Gourgout Adrien , Leroux Maxime , Smirr Jean-Loup , Massoudzadegan Maxime , Lobo Ricardo P. S. M. , Vignolles David , Proust Cyril , Berger Helmuth , Li Qiang , Gu Genda , Homes Christopher C. , Akrap Ana , Fauqué Benoît
Published: July 2022

The ultra-quantum limit is achieved when a magnetic field confines an electron gas in its lowest spin-polarised Landau level. Here we show that in this limit, electron doped ZrTe5 shows a metal-insulator transition followed by a sign change of the Hall and Seebeck effects at low temperature. We attribute this transition to a magnetic freeze-out of charge carriers on the ionized impurities. The reduction of the charge carrier density gives way to an anomalous Hall response of the spin-polarised electrons. This behavior, at odds with the usual magnetic freeze-out scenario, occurs in this Dirac metal because of its tiny Fermi energy, extremely narrow band gap and a large g-factor. We discuss the different possible sources (intrinsic or extrinsic) for this anomalous Hall contribution.
Heavy metal and organic dye removal via a hybrid porous hexagonal boron nitride-based magnetic aerogel
Authors: Krishna Kumar A. Santhana , Warchol Jolanta , Matusik Jakub , Tseng Wei-Lung , Rajesh N. , Bajda Tomasz
Published: July 2022

Numerous adsorbents have been introduced to efficiently remove heavy metals and organic dyes from environmental water samples. However, magnetic a porous network aerogels are rarely developed to capture inorganic and organic pollutants from aqueous. We herein fabricated hexagonal boron nitride nanosheets (h-BNNSs)-based on magnetic hybrid aerogels (MHAs) as a lightweight adsorbent for robust uptake of Cr(VI), As(V), methylene blue (MB) and acid orange (AO). The synthetic procedure of poly(ethyleneimine)-modified h-BNNSs (PEI-h-BNNSs) involved thermal poly condensation of melamine and boric acid, pyrolysis of the resultant products which allowed exfoliated by ultra-sonication process further functionalization with PEI-mediated modification of h-BNNSs. The as formed PEI-h-BNNSs allowed in-situ formation of magnetite nanoparticles (Fe3O4 NPs) decorated on their surfaces, which are turned to be PEI-h-BNNSs@Fe3O4 NPs. The lyophilization treatment of PEI-h-BNNSs@Fe3O4 NPs-loaded PVA hydrogels generated the MHAs with large porous structures, diverse and numerous functional groups, good super-paramagnetic and a zero net surface charge. These features enabled the proposed adsorbent (MHAs) to be utilized to efficiently remove Cr(VI), As(V), MB, and AO from an aqueous solution, with maximum adsorption capacity estimated to be 833, 426, 415, 286 mg g−1, respectively. The adsorption kinetics and isotherm data demonstrated that MHAs mediated adsorption of Cr(VI), As(V), MB and AO followed the Freundlich isotherm model and a pseudo-second-order kinetics model. This finding signifies that the MHAs exhibit heterogeneous binding behavior with multilayer chemisorption of Cr(VI), As(V), MB and AO. Subsequently, the practical application were validated by conducting their detoxification of chromium and arsenic in soli-sludge samples.
Oxford Nanopore R10.4 long-read sequencing enables the generation of near-finished bacterial genomes from pure cultures and metagenomes without short-read or reference polishing
Authors: Sereika Mantas , Kirkegaard Rasmus Hansen , Karst Søren Michael , Michaelsen Thomas Yssing , Sørensen Emil Aarre , Wollenberg Rasmus Dam , Albertsen Mads
Published: July 2022

Long-read Oxford Nanopore sequencing has democratized microbial genome sequencing and enables the recovery of highly contiguous microbial genomes from isolates or metagenomes. However, to obtain near-finished genomes it has been necessary to include short-read polishing to correct insertions and deletions derived from homopolymer regions. Here, we show that Oxford Nanopore R10.4 can be used to generate near-finished microbial genomes from isolates or metagenomes without short-read or reference polishing.
Methyl probes in proteins for determining ligand binding mode in weak protein–ligand complexes
Authors: Mohanty Biswaranjan , Orts Julien , Wang Geqing , Nebl Stefan , Alwan Wesam S. , Doak Bradley C. , Williams Martin L. , Heras Begoña , Mobli Mehdi , Scanlon Martin J.
Published: July 2022

Structures of protein–ligand complexes provide critical information for drug design. Most protein–ligand complex structures are determined using X-ray crystallography, but where crystallography is not able to generate a structure for a complex, NMR is often the best alternative. However, the available tools to enable rapid and robust structure determination of protein–ligand complexes by NMR are currently limited. This leads to situations where projects are either discontinued or pursued without structural data, rendering the task more difficult. We previously reported the NMR Molecular Replacement (NMR2) approach that allows the structure of a protein–ligand complex to be determined without requiring the cumbersome task of protein resonance assignment. Herein, we describe the NMR2 approach to determine the binding pose of a small molecule in a weak protein–ligand complex by collecting sparse protein methyl-to-ligand NOEs from a selectively labeled protein sample and an unlabeled ligand. In the selective labeling scheme all methyl containing residues of the protein are protonated in an otherwise deuterated background. This allows measurement of intermolecular NOEs with greater sensitivity using standard NOESY pulse sequences instead of isotope-filtered NMR experiments. This labelling approach is well suited to the NMR2 approach and extends its utility to include larger protein–ligand complexes.
Decadal trends in 137Cs concentrations in the bark and wood of trees contaminated by the Fukushima nuclear accident
Authors: Ohashi Shinta , Kuroda Katsushi , Abe Hisashi , Kagawa Akira , Komatsu Masabumi , Sugiyama Masaki , Suzuki Youki , Fujiwara Takeshi , Takano Tsutomu
Published: July 2022

Understanding the actual situation of radiocesium (137Cs) contamination of trees caused by the Fukushima nuclear accident is essential for predicting the future contamination of wood. Particularly important is determining whether the 137Cs dynamics within forests and trees have reached apparent steady state. We conducted a monitoring survey of four major tree species (Japanese cedar, Japanese cypress, konara oak, and Japanese red pine) at multiple sites. Using a dynamic linear model, we analyzed the temporal trends in 137Cs activity concentrations in the bark (whole), outer bark, inner bark, wood (whole), sapwood, and heartwood during the 2011–2020 period. The activity concentrations were decay-corrected to September 1, 2020, to exclude the decrease due to the radioactive decay. The 137Cs concentrations in the whole and outer bark samples showed an exponential decrease in most plots but a flat trend in one plot, where 137Cs root uptake is considered to be high. The 137Cs concentration ratio (CR) of inner bark/sapwood showed a flat trend but the CR of heartwood/sapwood increased in many plots, indicating that the 137Cs dynamics reached apparent steady state within one year in the biologically active parts (inner bark and sapwood) and after several to more than 10 years in the inactive part (heartwood). The 137Cs concentration in the whole wood showed an increasing trend in six plots. In four of these plots, the increasing trend shifted to a flat or decreasing trend. Overall, the results show that the 137Cs dynamics within forests and trees have reached apparent steady state in many plots, although the amount of 137Cs root uptake in some plots is possibly still increasing 10 years after the accident. Clarifying the mechanisms and key factors determining the amount of 137Cs root uptake will be crucial for predicting wood contamination.
A network analysis reveals the interaction between fear and physical features in people with neck pain
Authors: Devecchi Valter , Alalawi Ahmed , Liew Bernard , Falla Deborah
Published: July 2022

Although neck pain is known to be a complex and multifactorial condition characterised by the interplay between physical and psychological domains, a comprehensive investigation examining the interactions across multiple features is still lacking. In this study, we aimed to unravel the structure of associations between physical measures of neuromuscular function and fear of movement in people with a history of neck pain. One hundred participants (mean age 33.3 ± 9.4) were assessed for this cross-sectional study, and the neuromuscular and kinematic features investigated were the range of motion, velocity of neck movement, smoothness of neck movement, neck proprioception (measured as the joint reposition error), and neck flexion and extension strength. The Tampa Scale for Kinesiophobia was used to assess fear of movement. A network analysis was conducted to estimate the associations across features, as well as the role of each feature in the network. The estimated network revealed that fear of movement and neuromuscular/kinematic features were conditionally dependent. Higher fear of movement was associated with a lower range of motion, velocity, smoothness of neck movement, neck muscle strength, and proprioception (partial correlations between − 0.05 and − 0.12). Strong interactions were also found between kinematics features, with partial correlations of 0.39 and 0.58 between the range of motion and velocity, and between velocity and smoothness, respectively. The velocity of neck movement was the most important feature in the network since it showed the highest strength value. Using a novel approach to analysis, this study revealed that fear of movement can be associated with a spectrum of neuromuscular/kinematic adaptations in people with a history of neck pain.
Comprehensive multi-cohort transcriptional meta-analysis of muscle diseases identifies a signature of disease severity
Authors: Walsh C. J. , Batt J. , Herridge M. S. , Mathur S. , Bader G. D. , Hu P. , Khatri P. , dos Santos C. C.
Published: July 2022

Muscle diseases share common pathological features suggesting common underlying mechanisms. We hypothesized there is a common set of genes dysregulated across muscle diseases compared to healthy muscle and that these genes correlate with severity of muscle disease. We performed meta-analysis of transcriptional profiles of muscle biopsies from human muscle diseases and healthy controls. Studies obtained from public microarray repositories fulfilling quality criteria were divided into six categories: (i) immobility, (ii) inflammatory myopathies, (iii) intensive care unit (ICU) acquired weakness (ICUAW), (iv) congenital muscle diseases, (v) chronic systemic diseases, (vi) motor neuron disease. Patient cohorts were separated in discovery and validation cohorts retaining roughly equal proportions of samples for the disease categories. To remove bias towards a specific muscle disease category we repeated the meta-analysis five times by removing data sets corresponding to one muscle disease class at a time in a “leave-one-disease-out” analysis. We used 636 muscle tissue samples from 30 independent cohorts to identify a 52 gene signature (36 up-regulated and 16 down-regulated genes). We validated the discriminatory power of this signature in 657 muscle biopsies from 12 additional patient cohorts encompassing five categories of muscle diseases with an area under the receiver operating characteristic curve of 0.91, 83% sensitivity, and 85.3% specificity. The expression score of the gene signature inversely correlated with quadriceps muscle mass (r = −0.50, p-value = 0.011) in ICUAW and shoulder abduction strength (r = −0.77, p-value = 0.014) in amyotrophic lateral sclerosis (ALS). The signature also positively correlated with histologic assessment of muscle atrophy in ALS (r = 0.88, p-value = 1.62 × 10–3) and fibrosis in muscular dystrophy (Jonckheere trend test p-value = 4.45 × 10–9). Our results identify a conserved transcriptional signature associated with clinical and histologic muscle disease severity. Several genes in this conserved signature have not been previously associated with muscle disease severity.
Highly improved light harvesting and photovoltaic performance in CdTe solar cell with functional designed 1D-photonic crystal via light management engineering
Authors: Çetinkaya Çağlar , Çokduygulular Erman , Kınacı Barış , Güzelçimen Feyza , Özen Yunus , Sönmez Nihan Akın , Özçelik Süleyman
Published: July 2022

Photonic-based functional designs and integrations for advanced optoelectronic devices are regarded as promising candidates considering the enhancement of efficiency and tunability. With the aim to improve photovoltaic performance by increasing photon harvesting, the study presents the prominent findings of experimental and theoretical comparison of optical and electrical evaluation integrating a functionally designed one-dimension photonic crystal (1D-PC) into CdTe solar cells. Since transparency of the CdS/CdTe heterojunction based solar cell (SC) is reduced by a photonic band gap formed by (MgF2/MoO3)N 1D-PC; namely, re-harvesting is improved by increasing absorbance. The period number at resonance wavelength of 850 nm and photocurrent density ($${J}_{ph}$$

J

ph

) have remarkable influence on the investigation. For four periods, the reflectance in the region of photonic band gap is sufficient for photon harvesting and saturation occurs. The photovoltaic performances are comparatively analysed for SCs with and without 1D-PC produced at optimal values. The open-circuit voltage does not change, besides, short-circuit current density and maximum-current density vary between 15.86–17.23 mA cm−2 and, 13.08–15.41 mA cm−2. Having integrated the 1D-PC into the structure, it is concluded that the FF and power conversion efficiency increase from 55.27 to 63.35% with an improvement of 15.91% and, from 8.26 to 10.47% with an improvement of 21.10%.
A Casson nanofluid flow within the conical gap between rotating surfaces of a cone and a horizontal disc
Authors: Moatimid Galal M. , Mohamed Mona A. A. , Elagamy Khaled
Published: July 2022

The present study highlights the flow of an incompressible nanofluid following the non-Newtonian flow. The non-Newtonian fluid behavior is characterized by the Casson prototype. The flow occupies the conical gap between the rotating/stationary surfaces of the cone and the horizontal disc. Heat and mass transfer is also considered. The novelty of the proposed mathematical model is supplemented with the impacts of a uniform magnetic field imposed vertically upon the flow together with Ohmic dissipation and chemical reactions. The constitutive equations of the Casson fluid have been interpreted along with the cylindrical coordinates. The governing partial differential equations of momentum, energy, and concentration are converted into a set of nonlinear ordinary differential equations via appropriate similarity transformations. This scheme leads to a set of coupled nonlinear ordinary equations concerning velocity, temperature, and nanoparticles concentration distributions. These equations are analytically solved by means of the Homotopy perturbation method (HPM). The theoretical findings are presented in both graphical and tabular forms. The main objective of this study is to discuss the effects of the rotations of both cone and disc and the effects of the other parameters in the two cases of rotation alternatively. Additionally, the effect of the angle between the cone and the disk is one of our interesting points because of the importance of its effect in some engineering industry applications. The rotation parameters are found to have reduction effects on both the temperature and the radial velocity of the fluid, while they have an enhancing effect on the azimuthal velocity. The effects of other parameters with these rotations are found to be qualitatively the same as some earlier published studies. To validate the current mathematical model, a comparison with the previous scientific reports is made.
Redox-sensitive doxorubicin liposome: a formulation approach for targeted tumor therapy
Authors: Mirhadi Elaheh , Mashreghi Mohammad , Askarizadeh Anis , Mehrabian Amin , Alavizadeh Seyedeh Hoda , Arabi Leila , Badiee Ali , Jaafari Mahmoud Reza
Published: July 2022

In this study redox-sensitive (RS) liposomes manufactured using 10,10′-diselanediylbis decanoic acid (DDA), an organoselenium RS compound, to enhance the therapeutic performance of doxorubicin (Dox). The DDA structure was confirmed by 1H NMR and LC–MS/MS. Various liposomal formulations (33 formulations) were prepared using DOPE, Egg PC, and DOPC with Tm ˂ 0 and DDA. Some formulations had mPEG2000-DSPE and cholesterol. After extrusion, the external phase was exchanged with sodium bicarbonate to create a pH gradient. Then, Dox was remotely loaded into liposomes. The optimum formulations indicated a burst release of 30% in the presence of 0.1% hydrogen peroxide at pH 6.5, thanks to the redox-sensitive role of DDA moieties; conversely, Caelyx (PEGylated liposomal Dox) showed negligible release at this condition. RS liposomes consisting of DOPE/Egg PC/DDA at 37.5 /60/2.5% molar ratio, efficiently inhibited C26 tumors among other formulations. The release of Dox from RS liposomes in the TME through the DDA link fracture triggered by ROS or glutathione is seemingly the prerequisite for the formulations to exert their therapeutic action. These findings suggest the potential application of such intelligent formulations in the treatment of various malignancies where the TME redox feature could be exploited to achieve an improved therapeutic response.
Stiffness estimation of planar spiral spring based on Gaussian process regression
Authors: Liu Jingjing , Abu Osman Noor Azuan , Al Kouzbary Mouaz , Al Kouzbary Hamza , Abd Razak Nasrul Anuar , Shasmin Hanie Nadia , Arifin Nooranida
Published: July 2022

Planar spiral spring is important for the dimensional miniaturisation of motor-based elastic actuators. However, when the stiffness calculation of the spring arm is based on simple beam bending theory, the results possess substantial errors compared with the stiffness obtained from finite-element analysis (FEA). It deems that the errors arise from the spiral length term in the calculation formula. Two Gaussian process regression models are trained to amend this term in the stiffness calculation of spring arm and complete spring. For the former, 216 spring arms’ data sets, including different spiral radiuses, pitches, wrap angles and the stiffness from FEA, are employed for training. The latter engages 180 double-arm springs’ data sets, including widths instead of wrap angles. The simulation of five spring arms and five planar spiral springs with arbitrary dimensional parameters verifies that the absolute values of errors between the predicted stiffness and the stiffness from FEA are reduced to be less than 0.5% and 2.8%, respectively. A planar spiral spring for a powered ankle–foot prosthesis is designed and manufactured to verify further, of which the predicted value possesses a 3.25% error compared with the measured stiffness. Therefore, the amendment based on the prediction of trained models is available.
Numerical simulation and experimental evaluation of flow ripple characteristics of Truninger pump
Authors: Liang Yundong , Chen Zongbin , Liao Jian
Published: July 2022

Compared with involute internal gear pumps and gerotor pumps, lower flow ripple is the main advantage of Truninger pumps. Understanding the flow ripple mechanism and characteristics is of great significance to guide the design and manufacture of this type of pump. In this paper, the theoretical flow ripple and flow ripple rate expressions of the pump are derived based on the vector ray method, and the effects of variations of the design parameters of the pump on the theoretical flow ripple characteristics are studied. A three-dimensional numerical simulation model was established in Simerics-MP+ that accounted for the fluid properties and cavitation. All the geometric features, including unloading grooves, the oil distribution areas, the shapes of the suction and delivery passageways, and the axial and radial leakage gaps, were considered to achieve the highest accuracy in the prediction of flow ripple. Finally, a flow ripple test platform was built based on the secondary source method. The validity and accuracy of the model were verified by test results. The flow ripple characteristics under different working conditions were compared and analyzed. The following conclusions were obtained: (1) The smaller module, the larger addendum coefficient and the half angle of the tooth profile in the design process, the lower the pump speed during operation is beneficial to reduce the vibration and noise of this pump; (2) Flow ripple is the comprehensive result of the oil characteristics, internal leakage, and geometric characteristics through the comparisons of theoretical, simulation and experimental results; (3) The flow ripple amplitude and the ripple rate increased with the increase in the outlet pressure and the influence of the pump speed variations on the flow ripple characteristics is less than that of outlet pressure variations. The conclusions obtained in this paper will help designers understand the flow ripple mechanism, achieve low-noise pump designs, and optimize Truninger pumps.
Evaluation of heavy metal contamination in copper mine tailing soils of Kitwe and Mufulira, Zambia, for reclamation prospects
Authors: Dusengemungu Leonce , Mubemba Benjamin , Gwanama Cousins
Published: July 2022

Understanding the level of heavy metal contamination coupled with the assessment of environmental and human risks associated with mine waste dumpsites is an important step to initiating efficient measures for mine wasteland restoration, stabilization, and bioremediation. In the present study, concentration of the heavy metals; Copper (Cu), Cobalt (Co), Iron (Fe), Lead (Pb), Manganese (Mn), and Zinc (Zn) in soil from mine waste dumpsites around Kitwe (Sites: BM and TD26) and Mufulira (Site: TD10), Zambia, was assessed to determine the level of contamination, ecological risks, and progress made in reclamation. The mine waste dumpsites in the two towns are located in the vicinity of residential areas. Therefore, there is need to provide information for optimization of protocols for post-mining landscape in Zambia and elsewhere to limit soil, river, and groundwater contamination and to accelerate the restoration process . Mean values for soil pH, electrical conductivity, and organic matter varied between 5.9–8.4, 2534.8–538.6 μS/cm, and 0.90–2.75%, respectively. The mean concentrations of heavy metals of BM, TD26, and TD10 decreased in order of Fe > Cu > Co > Mn > Pb > Zn across all sites. However, the order of overall degree of heavy metal contamination computed using control soil as a baseline in BM, TD26, and TD10 was Cu > Co > Fe > Pb > Mn > Zn. The pollution load index was 0.355 at BM, 0.329 at TD26, and 0.189 at TD10, indicating high soil pollution at BM and TD26. The Potential Ecological Risk Index for all heavy metals tested at BM, TD26, and TD10 showed low ecological risk in the vicinity of the studied dumpsites. Furthermore, the present study also showed that the polluted soils around smelter sites and mine waste dumpsites are susceptible to dispersion by wind and water. Additionally, results from TD10 revealed that the initiated remediation of the tailings dam was somewhat successful. Finally, this study provided an updated status regarding the accumulation of heavy metals in mine waste dumpsites of Kitwe and Mufulira, Zambia and baseline information necessary to enhance post-mining landscape reclamation.
Effect of oxidative aging of biochar on relative distribution of competitive adsorption mechanism of Cd2+ and Pb2+
Authors: Wang Zhe , Geng Chengxin , Bian Yuan , Zhang Guangyu , Zheng Chunli , An Chunjiang
Published: July 2022

In this study, aged biochar (CCB350 and CCB650) were obtained from pyrolysis of corn stalk biochar (CB350 and CB650) at the degree of 350 °C and 650 °C by artificial oxidation with hydrogen peroxide (H2O2). Also, the mechanism of Pb2+ and Cd2+ on fresh and aged biochars was analyzed qualitatively and quantitatively by batch adsorption experiments combined with characterization. The adsorption isotherm results showed that aging treatment decreased the adsorption capacity of Pb2+ and Cd2+ and inhibited the competitive adsorption behavior of heavy metals. In the single-metal system, precipitation and cation exchange were considered as the main adsorption mechanisms for CB350 and CB650, with a ratio of 40.07–48.23% and 38.04–57.19%, respectively. Competition between Pb2+ and Cd2+ increased the relative contribution of mineral precipitation, but decreased the contribution of cation exchange mechanism. Aging resulted in the rise of the contribution of surface complexation to the adsorption of Pb2+ and Cd2+ on biochars, especially in low-temperature biochars, but weakened the contribution of mineral precipitation to the adsorption. Further, the contribution of other adsorption mechanisms was significantly enhanced for high-temperature aged biochars. These results are important to evaluate its long-term application prospects in the natural environment.
Urban spatial structures from human flow by Hodge–Kodaira decomposition
Authors: Aoki Takaaki , Fujishima Shota , Fujiwara Naoya
Published: July 2022

Human flow in cities indicates social activity and can reveal urban spatial structures based on human behaviours for relevant applications. Scalar potential is a mathematical concept that, when properly applied, can provide an intuitive view of human flow. However, the definition of such a potential in terms of the origin-destination flow matrix and its feasibility remain unresolved. In this case, we use Hodge–Kodaira decomposition, which uniquely decomposes a matrix into a potential-driven (gradient) flow and a curl flow. We depict the potential landscapes in cities resulting from commuting flow and reveal how the landscapes have either changed or remained unchanged by years or methods of transportation. We then determine how well the commuting flow is described by the potential, by evaluating the percentage of the gradient component for metropolitan areas in the USA and show that the gradient component is almost 100% in several areas; in other areas, however, the curl component is dominant, indicating the importance of circular flow along with triangles of places. The potential landscape provides an easy-to-use visualisation tool for showing the attractive places of human flow and will help in a variety of applications such as commerce, urban design, and epidemic spreading.
Low-dose sodium-glucose cotransporter 2 inhibitor ameliorates ischemic brain injury in mice through pericyte protection without glucose-lowering effects
Authors: Takashima Masamitsu , Nakamura Kuniyuki , Kiyohara Takuya , Wakisaka Yoshinobu , Hidaka Masaoki , Takaki Hayato , Yamanaka Kei , Shibahara Tomoya , Wakisaka Masanori , Ago Tetsuro , Kitazono Takanari
Published: July 2022

Antidiabetic sodium-glucose cotransporter 2 (SGLT2) inhibitors have attracted attention for their cardiorenal-protective properties beyond their glucose-lowering effect. However, their benefits in ischemic stroke remain controversial. Here we show the effects of luseogliflozin, a selective SGLT2 inhibitor, in acute ischemic stroke, using a permanent middle cerebral artery occlusion (pMCAO) model in non-diabetic mice. Pretreatment with low-dose luseogliflozin, which does not affect blood glucose levels, significantly attenuated infarct volume, blood-brain barrier disruption, and motor dysfunction after pMCAO. SGLT2 was expressed predominantly in brain pericytes and was upregulated in peri- and intra-infarct areas. Notably, luseogliflozin pretreatment reduced pericyte loss in ischemic areas. In cultured pericytes, luseogliflozin activated AMP-activated protein kinase α and increased mitochondrial transcription factor A expression and number of mitochondria, conferring resistance to oxygen-glucose deprivation. Collectively, pre-stroke inhibition of SGLT2 induces ischemic tolerance in brain pericytes independent of the glucose-lowering effect, contributing to the attenuation of ischemic brain injury.
Linking the network centrality measures closeness and degree
Authors: Evans Tim S. , Chen Bingsheng
Published: July 2022

Measuring the importance of nodes in a network with a centrality measure is an core task in any network application. There many measures available and it is speculated that many encode similar information. We give an explicit non-linear relationship between two of the most popular measures of node centrality: degree and closeness. Based on a shortest-path tree approximation, we give an analytic derivation that shows the inverse of closeness is linearly dependent on the logarithm of degree. We show that our hypothesis works well for a range of networks produced from stochastic network models and for networks derived from 130 real-world data sets. We connect our results with previous results for other network distance scales such as average distance. Our results imply that measuring closeness is broadly redundant unless our relationship is used to remove the dependence on degree from closeness. The success of our relationship suggests that most networks can be approximated by shortest-path spanning trees which are all statistically similar two or more steps away from their root nodes.
Higher immigration and lower land take rates are driving a new densification wave in European cities
Authors: Cortinovis Chiara , Geneletti Davide , Haase Dagmar
Published: July 2022

Spatio-temporal density trends are considered key indicators of urban development. However, similar density trends may hide different drivers. This study investigates the density trends of 331 European cities between 2006 and 2018 and the underlying trends in residential area and population, broken down into natural change and net migration. The analysis captured a shift in the predominant trend from de-densification (2006–2012) to densification (2012–2018). Two main drivers determined the shift: (i) a more diffused growth of urban population, and (ii) a slowdown of land take for residential use after the global financial crisis of 2008. A clear acceleration in net migration rates, with immigration pushing population growth, occurred in most cities turning from de-densification to densification. Despite path dependencies and enduring differences across regions and city sizes, the distribution of these trends partly redesigned the traditional European East-West dichotomy into a novel center-periphery division.
Intracellular nitrate storage by diatoms can be an important nitrogen pool in freshwater and marine ecosystems
Authors: Stief Peter , Schauberger Clemens , Lund Marie B. , Greve Andreas , Abed Raeid M. M. , Al-Najjar Mohammad A. A. , Attard Karl , Bonaglia Stefano , Deutzmann Jörg S. , Franco-Cisterna Belén , García-Robledo Emilio , Holtappels Moritz , John Uwe , Maciute Adele , Magee Michael J. , Pors Rie , Santl-Temkiv Tina , Scherwass Anja , Sevilgen Duygu S. , de Beer Dirk , Glud Ronnie N. , Schramm Andreas , Kamp Anja
Published: July 2022

Identifying and quantifying nitrogen pools is essential for understanding the nitrogen cycle in aquatic ecosystems. The ubiquitous diatoms represent an overlooked nitrate pool as they can accumulate nitrate intracellularly and utilize it for nitrogen assimilation, dissipation of excess photosynthetic energy, and Dissimilatory Nitrate Reduction to Ammonium (DNRA). Here, we document the global co-occurrence of diatoms and intracellular nitrate in phototrophic microbial communities in freshwater (n = 69), coastal (n = 44), and open marine (n = 4) habitats. Diatom abundance and total intracellular nitrate contents in water columns, sediments, microbial mats, and epilithic biofilms were highly significantly correlated. In contrast, diatom community composition had only a marginal influence on total intracellular nitrate contents. Nitrate concentrations inside diatom cells exceeded ambient nitrate concentrations ∼100–4000-fold. The collective intracellular nitrate pool of the diatom community accounted for <1% of total nitrate in pelagic habitats and 65–95% in benthic habitats. Accordingly, nitrate-storing diatoms are emerging as significant contributors to benthic nitrogen cycling, in particular through Dissimilatory Nitrate Reduction to Ammonium activity under anoxic conditions.
Design optimization and efficiency enhancement of axial junction nanowire solar cells utilizing a forward scattering mechanism
Authors: Ferdoushi Munia , Wahid Sumaiya , Alam Md. Kawsar
Published: July 2022

We report the design and performance analysis of forward scatterer incorporated axial junction nanowire solar cells based on CdTe, CIGS, and CZTS with significant improvement in their optoelectronic properties compared to their planar counterparts.
An autocatalytic CO hydrogenation approach for the fabrication of stable Fe-based superhydrophobic surfaces
Authors: Xue Yingying , Duan Shengyang , Liu Zihao , Cui Miaomiao , Xiong Zhanghui , Liu Zengchen , Chen Jiangang
Published: July 2022

Hydrocarbons were constructed in situ on a rough surface via an autocatalytic CO hydrogenation reaction to prepare superhydrophobic materials.
Breakthrough pressure of oil displacement by water through the ultra-narrow kerogen pore throat from the Young–Laplace equation and molecular dynamic simulations
Authors: Zhao Yinuo , Li Wenhui , Zhan Shiyuan , Jin Zhehui
Published: July 2022

Full atomistic ~2 nm kerogen pore throat is used to simulate water–oil two-phase displacement process. No oil adsorption layer remains on the surface. The Young–Laplace equation shows an excellent performance to predict the breakthrough pressure.
Fragment screening at AstraZeneca: developing the next generation biophysics fragment set
Authors: Lucas Simon C. C. , Börjesson Ulf , Bostock Mark J. , Cuff John , Edfeldt Fredrik , Embrey Kevin J. , Eriksson Per-Olof , Gohlke Andrea , Gunnarson Anders , Lainchbury Michael , Milbradt Alexander G. , Moore Rachel , Rawlins Philip B. , Sinclair Ian , Stubbs Christopher , Storer R. Ian
Published: July 2022

The evolution of AstraZeneca's fragment screening library from multiple technology sets to a single, layered biophysics set.
Synthesis and development of seven-membered constrained cyclic urea based PSMA inhibitors via RCM
Authors: Siow Andrew , Tasma Zoe , Walker Christopher S. , Brimble Margaret A. , Harris Paul. W. R.
Published: July 2022

Intramolecular ring-closing metathesis on an N,N-diallyl Glu-urea-Gly substrate affords 7-membered cyclic ureas as inhibitors of prostrate specific membrane antigen (PMSA).
Copper–cobalt coordination polymers and catalytic applications on borrowing hydrogen reactions
Authors: Chang Shaoze , Liu Hongqiang , Shi Gang , Xia Xiao-Feng , Wang Dawei , Duan Zheng-Chao
Published: July 2022

A porous copper–cobalt polymer was synthesized and achieved applications for the N-alkylation of sulfonamides with alcohols, and carboxamides with alcohols.
Corrosion protection of aluminum alloy (AA2219-T6) using sulfonic acid-doped conducting polymer coatings
Authors: Kanwal Sehrish , Akhter Zareen , Ali Naveed Zafar , Hussain Rizwan , Qamar Samina
Published: July 2022

Incorporation of organic materials into polypyrrole and polyaniline matrices to reinforce their anticorrosive properties for the protection of aluminum alloys.
Chalcogen-bonded donor–acceptor complexes of 5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine with halide ions
Authors: Radiush Ekaterina A. , Pritchina Elena A. , Chulanova Elena A. , Dmitriev Alexey A. , Bagryanskaya Irina Yu , Slawin Alexandra M. Z. , Woollins J. Derek , Gritsan Nina P. , Zibarev Andrey V. , Semenov Nikolay A.
Published: July 2022

With halides X− (X = Cl, Br, I) 5,6-dicyano-[1,2,5]selenadiazolo[3,4-b]pyrazine 1 forms chalcogen-bonded complexes [1–X]− structurally defined by XRD. UV/Vis spectra of [1–X]− feature red-shifted charge-transfer bands in the Vis part.
Syntheses of novel fluorinated dibenzo[a,c]phenazine comprising polymers for electrochromic device applications
Authors: Hacioglu Serife O. , Aktas Ece , Hizalan Gonul , Akbasoglu Naime , Cirpan Ali , Toppare Levent
Published: July 2022

In this study, five novel fluorinated dibenzo[a,c]phenazine comprising polymers were synthesized and characterized for electrochromic device applications.
Insights into the enhanced electrochemical performance of MnV2O6 nanoflakes as an anode material for advanced lithium storage
Authors: Wen Ni , Chen Siyuan , Lu Qiuchen , Li Yunbo , Fan Qinghua , Kuang Quan , Dong Youzhong , Zhao Yanming
Published: July 2022

The MnV2O6 nanoflakes are synthesized by a facile hydrothermal method, which shows the ever-increasing specific capacity during cycling. Additionally, the NCM811//MnV2O6 full cell exhibits an excellent cycleability and can light a LED.
One-dimensional amorphous cobalt(ii) metal–organic framework nanowire for efficient hydrogen evolution reaction
Authors: Dong Jie , Lv Cuncai , Humphrey Mark G. , Zhang Chi , Huang Zhipeng
Published: July 2022

The CoCH@Co-MOF-30 nanowire shows outstanding activity in HER for water splitting.
Strain engineering in single-atom catalysts: GaPS4 for bifunctional oxygen reduction and evolution
Authors: Liu Xuefei , Liu Tianyun , Xiao Wenjun , Wang Wentao , Zhang Yuefei , Wang Gang , Luo Zijiang , Liu Jin-Cheng
Published: July 2022

We report here a theoretical study on 34 transition metal doped two-dimensional GaPS4 catalysts denoted as transition metal transition metal@VS-GaPS4.
1,1,2-Trifunctionalization of terminal alkynes by imine/borane frustrated Lewis pairs
Authors: Ullah Aziz , Chen Guo-Qiang
Published: July 2022

The first metal-free 1,1,2-trifunctionalization of terminal alkynes is reported, providing a straightforward means to synthesize trisubstituted-alkenyl boranes.
I2-Promoted site-selective C–C bond cleavage of aryl methyl ketones as C1 synthons for constructing 5-acyl-1H-pyrazolo[3,4-b]pyridines
Authors: Zhou You , Wang Li-Sheng , Lei Shuang-Gui , Gao Yun-Xiang , Ma Jin-Tian , Yu Zhi-Cheng , Wu Yan-Dong , Wu An-Xin
Published: July 2022

A novel iodine promoted [1 + 3 + 2] cleavage cyclization reaction for the synthesis of 1H-pyrazolo[3,4-b]pyridines from aryl methyl ketones, 5-aminopyrazoles and enaminones has been established.
Late-stage ortho-C–H alkenylation of 2-arylindazoles in aqueous medium by Manganese(i)-catalysis
Authors: Das Krishna Kanta , Ghosh Asim Kumar , Hajra Alakananda
Published: July 2022

Earth-abundant and water-tolerant manganese(i) catalyzed alkenylation of 2-arylindazole with alkyl and aryl alkynes through C–H bond activation is described with a unique level of E-selectivity.
Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides
Authors: Barman Debasish , Annadhasan Mari , Chandrasekar Rajadurai , Iyer Parameswar Krishnan
Published: July 2022

Through-space donor–alkyl bridge–acceptor multifunctional organic single molecules that simultaneously displayed white light emission, thermally activated delayed fluorescence, room temperature dual phosphorescence and optical wave-guiding properties.
Low-impact synthesis of mesostructured acidic catalysts: toward the efficient conversion of crude glycerol
Authors: Maertens Amélie , Vivian Alvise , Fusaro Luca , Felten Alexandre , Louette Pierre , Armandi Marco , Fiorilli Sonia , Aprile Carmela
Published: July 2022

A series of Ga-based porous nanospheres with highly controllable particle size was prepared via a rapid and sustainable synthetic procedure. They were efficiently used as catalysts in the valorization of glycerol under simulated raw conditions.
The preparation and properties of circularly polarized luminescent liquid crystal physical gels with self-supporting performance
Authors: Wang Hanrong , Chen Zhong , Yuan Yongjie , Zhang Hailiang
Published: July 2022

In this work, we introduced organic gelators into the host–guest doped CPL liquid crystals and successfully prepared liquid crystal physical gels with good self-supporting performance, stable CPL properties, large glum value and quick response.
Solar thermal-activated photocatalysis for hydrogen production and aqueous triethanolamine polymerization
Authors: Wang Jinghui , Wang Ziping , Wang Xia , Li Peihe , Sun Danhui , Duan Limei , Bai Jie , Sarina Sarina , Zhu Huaiyong , Liu Jinghai
Published: July 2022

Solar thermal-activated photocatalysis (STAP) has been developed as an efficient sustainable technology for hydrogen generation and aqueous triethanolamine polymerization initiated by heterogeneous photocatalysts under solar light irradiation.
Unravelling nanostructured Nb-doped TiO2 dual band behaviour in smart windows by in situ spectroscopies
Authors: García-Tecedor Miguel , Gorni Giulio , Oropeza Freddy , Gómez Laura , Liras Marta , de la Peña O'Shea Victor A. , Barawi Mariam
Published: July 2022

Nb doped TiO2 NCs exhibit a selective modulation in the VIS and NIR regions associated with polaronic and plasmonic absorptions. Comprehensive in situ electrochemical XAS, spectroelectrochemistry and EIS experiments allow us to unravel and independently study these two phenomena.
Referential tuning strategy for high-lying triplet energy level setting in OLED emitter with hot-exciton characteristics
Authors: Ke Qinqin , Song Yuyue , Li Ganggang , Li Baoxi , Chen Yiwen , Wan Qing , Ma Dongge , Wang Zhiming , Tang Ben Zhong
Published: July 2022

A tuning strategy for high-lying triplet energy level to design hot exciton emitters.
Selective decoration of dibenzofuran with multi-donors and a triazine acceptor for triplet to singlet up-conversion
Authors: Yun Ju Hui , Lee Kyung Hyung , Jeong Hyein , Lee Jun Yeob
Published: July 2022

3CzDBFTrz and 3mCzDBFTrz with multi-donor–acceptors of thermally activated delayed fluorescence emitters are achieved with a small singlet–triplet energy gap and fast reverse intersystem crossing.