bluuebunny/crossref_metadata_2025 huggingface dataset:
Inverse design of two-dimensional materials with invertible neural networks
Authors: Fung Victor , Zhang Jiaxin , Hu Guoxiang , Ganesh P. , Sumpter Bobby G.
Published: December 2021

The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery. However, thoroughly and efficiently sampling the entire design space in a computationally tractable manner remains a highly challenging task. To tackle this problem, we propose an inverse design framework (MatDesINNe) utilizing invertible neural networks which can map both forward and reverse processes between the design space and target property. This approach can be used to generate materials candidates for a designated property, thereby satisfying the highly sought-after goal of inverse design. We then apply this framework to the task of band gap engineering in two-dimensional materials, starting with MoS2. Within the design space encompassing six degrees of freedom in applied tensile, compressive and shear strain plus an external electric field, we show the framework can generate novel, high fidelity, and diverse candidates with near-chemical accuracy. We extend this generative capability further to provide insights regarding metal-insulator transition in MoS2 which are important for memristive neuromorphic applications, among others. This approach is general and can be directly extended to other materials and their corresponding design spaces and target properties.
Probable detection of an eruptive filament from a superflare on a solar-type star
Authors: Namekata Kosuke , Maehara Hiroyuki , Honda Satoshi , Notsu Yuta , Okamoto Soshi , Takahashi Jun , Takayama Masaki , Ohshima Tomohito , Saito Tomoki , Katoh Noriyuki , Tozuka Miyako , Murata Katsuhiro L. , Ogawa Futa , Niwano Masafumi , Adachi Ryo , Oeda Motoki , Shiraishi Kazuki , Isogai Keisuke , Seki Daikichi , Ishii Takako T. , Ichimoto Kiyoshi , Nogami Daisaku , Shibata Kazunari
Published: December 2021

Solar flares are often accompanied by filament/prominence eruptions (~104 K and ~1010−11 cm−3), sometimes leading to coronal mass ejections that directly affect the Earth’s environment1,2. ‘Superflares’ are found on some active solar-type (G-type main-sequence) stars3–5, but the filament eruption–coronal mass ejection association has not been established. Here we show that our optical spectroscopic observation of the young solar-type star EK Draconis reveals evidence for a stellar filament eruption associated with a superflare. This superflare emitted a radiated energy of 2.0 × 1033 erg, and a blueshifted hydrogen absorption component with a high velocity of −510 km s−1 was observed shortly afterwards. The temporal changes in the spectra strongly resemble those of solar filament eruptions. Comparing this eruption with solar filament eruptions in terms of the length scale and velocity strongly suggests that a stellar coronal mass ejection occurred. The erupted filament mass of 1.1 × 1018 g is ten times larger than those of the largest solar coronal mass ejections. The massive filament eruption and an associated coronal mass ejection provide the opportunity to evaluate how they affect the environment of young exoplanets/the young Earth6 and stellar mass/angular momentum evolution7.
Correlating biological activity to thermo-structural analysis of the interaction of CTX with synthetic models of macrophage membranes
Authors: de Araújo Pimenta Luciana , Duarte Evandro L. , Muniz Gabriel S. Vignoli , Pasqualoto Kerly Fernanda Mesquita , de Mattos Fontes Marcos Roberto , Lamy M. Teresa , Sampaio Sandra Coccuzzo
Published: December 2021

The important pharmacological actions of Crotoxin (CTX) on macrophages, the main toxin in the venom of Crotalus durissus terrificus, and its important participation in the control of different pathophysiological processes, have been demonstrated. The biological activities performed by macrophages are related to signaling mediated by receptors expressed on the membrane surface of these cells or opening and closing of ion channels, generation of membrane curvature and pore formation. In the present work, the interaction of the CTX complex with the cell membrane of macrophages is studied, both using biological cells and synthetic lipid membranes to monitor structural alterations induced by the protein. Here we show that CTX can penetrate THP-1 cells and induce pores only in anionic lipid model membranes, suggesting that a possible access pathway for CTX to the cell is via lipids with anionic polar heads. Considering that the selectivity of the lipid composition varies in different tissues and organs of the human body, the thermostructural studies presented here are extremely important to open new investigations on the biological activities of CTX in different biological systems.
Effect of human secretory calcium-binding phosphoprotein proline-glutamine rich 1 protein on Porphyromonas gingivalis and identification of its active portions
Authors: Mary Charline , Fouillen Aurélien , Moffatt Pierre , Guadarrama Bello Dainelys , Wazen Rima M. , Grenier Daniel , Nanci Antonio
Published: December 2021

The mouth environment comprises the second most significant microbiome in the body, and its equilibrium is critical in oral health. Secretory calcium-binding phosphoprotein proline-glutamine rich 1 (SCPPPQ1), a protein normally produced by the gingival epithelium to mediate its attachment to teeth, was suggested to be bactericidal. Our aim was to further explore the antibacterial potential of human SCPPPQ1 by characterizing its mode of action and identifying its active portions. In silico analysis showed that it has molecular parallels with antimicrobial peptides. Incubation of Porphyromonasgingivalis, a major periodontopathogen, with the full-length protein resulted in decrease in bacterial number, formation of aggregates and membrane disruptions. Analysis of SCPPPQ1-derived peptides indicated that these effects are sustained by specific regions of the molecule. Altogether, these data suggest that human SCPPPQ1 exhibits antibacterial capacity and provide new insight into its mechanism of action.
Spreading of disturbances in realistic models of transmission grids in dependence on topology, inertia and heterogeneity
Authors: Nnoli Kosisochukwu P. , Kettemann Stefan
Published: December 2021

The energy transition towards more renewable energy resources (RER) profoundly affects the frequency dynamics and stability of electrical power networks. Here, we investigate systematically the effect of reduced grid inertia, due to an increase in the magnitude of RER, its heterogeneous distribution and the grid topology on the propagation of disturbances in realistic power grid models. These studies are conducted with the DigSILENT PowerFactory software. By changing the power generation at one central bus in each grid at a specific time, we record the resulting frequency transients at all buses. Plotting the time of arrival (ToA) of the disturbance at each bus versus the distance from the disturbance, we analyse its propagation throughout the grid. While the ToAs are found to be distributed, we confirm a tendency that the ToA increases with geodesic distance linearly. Thereby, we can measure an average velocity of propagation by fitting the data with a ballistic equation. This velocity is found to decay with increasing inertia. Characterising each grid by its meshedness coefficient, we find that the distribution of the ToAs depends in more meshed grids less strongly on the grid inertia. In order to take into account the inhomogeneous distribution of inertia, we introduce an effective distance$$r_{\mathrm{eff}}$$reff, which is weighted with a factor which strongly depends on local inertia. We find that this effective distance is more strongly correlated with the ToAs, for all grids. This is confirmed quantitatively by obtaining a larger Pearson correlation coefficient between ToA and$$r_{\mathrm{eff}}$$reffthan withr. Remarkably, a ballistic equation for the ToA with a velocity, as derived from the swing equation, provides a strict lower bound for all effective distances$$r_{\mathrm{eff}}$$reffin all power grids. thereby yielding a reliable estimate for the smallest time a disturbance needs to propagate that distance as function of system parameters, in particular inertia. We thereby conclude that in the analysis of contingencies of power grids it may be advisable that system designers and operators use the effective distance$$r_{\mathrm{eff}}$$reff, taking into account inhomogeneous distribution of inertia as introduced in Eq. (12), to locate a disturbance. Moreover, our results provide evidence for the importance of the network topology as quantified by the meshedness coefficient$$\beta$$β.
Characterization of recombinant β subunit of human MUC4 mucin (rMUC4β)
Authors: Kshirsagar Prakash G. , Gulati Mansi , Junker Wade M. , Aithal Abhijit , Spagnol Gaelle , Das Srustidhar , Mallya Kavita , Gautam Shailendra K. , Kumar Sushil , Sorgen Paul , Pandey Krishan K. , Batra Surinder K. , Jain Maneesh
Published: December 2021

MUC4 is a transmembrane mucin expressed on various epithelial surfaces, including respiratory and gastrointestinal tracts, and helps in their lubrication and protection. MUC4 is also aberrantly overexpressed in various epithelial malignancies and functionally contributes to cancer development and progression. MUC4 is putatively cleaved at the GDPH site into a mucin-like α-subunit and a membrane-tethered growth factor-like β-subunit. Due to the presence of several functional domains, the characterization of MUC4β is critical for understanding MUC4 biology. We developed a method to produce and purify multi-milligram amounts of recombinant MUC4β (rMUC4β). Purified rMUC4β was characterized by Far-UV CD and I-TASSER-based protein structure prediction analyses, and its ability to interact with cellular proteins was determined by the affinity pull-down assay. Two of the three EGF-like domains exhibited typical β-fold, while the third EGF-like domain and vWD domain were predominantly random coils. We observed that rMUC4β physically interacts with Ezrin and EGFR family members. Overall, this study describes an efficient and simple strategy for the purification of biologically-active rMUC4β that can serve as a valuable reagent for a variety of biochemical and functional studies to elucidate MUC4 function and generating domain-specific antibodies and vaccines for cancer immunotherapy.
Volatile organic compounds as a potential screening tool for neoplasm of the digestive system: a meta-analysis
Authors: Wang Lixing , Li Junan , Xiong Xiaoliang , Hao Tingting , Zhang Chao , Gao Zhao , Zhong Lili , Zhao Yinlong
Published: December 2021

This meta-analysis was aimed to estimate the diagnostic performance of volatile organic compounds (VOCs) as a potential novel tool to screen for the neoplasm of the digestive system. An integrated literature search was performed by two independent investigators to identify all relevant studies investigating VOCs in diagnosing neoplasm of the digestive system from inception to 7th December 2020. STATA and Revman software were used for data analysis. The methodological quality of each study was assessed using the Quality Assessment of Diagnostic Accuracy Studies tool. A bivariate mixed model was used and meta-regression and subgroup analysis were performed to identify possible sources of heterogeneity. A total of 36 studies comprised of 1712 cases of neoplasm and 3215 controls were included in our meta-analysis. Bivariate analysis showed a pooled sensitivity of 0.87 (95% confidence interval (CI) 0.83–0.90), specificity of 0.86 (95% CI 0.82–0.89), a positive likelihood ratio of 6.18 (95% CI 4.68–8.17), and a negative likelihood ratio of 0.15 (95% CI 0.12–0.20). The diagnostic odds ratio and the area under the summary ROC curve for diagnosing neoplasm of the digestive system were 40.61 (95% CI 24.77–66.57) and 0.93 (95% CI 0.90–0.95), respectively. Our analyses revealed that VOCs analysis could be considered as a potential novel tool to screen for malignant diseases of the digestive system.
Entropy generation and induced magnetic field in pseudoplastic nanofluid flow near a stagnant point
Authors: Hou Enran , Hussain Azad , Rehman Aysha , Baleanu Dumitru , Nadeem Sohail , Matoog R. T. , Khan Ilyas , Sherif El-Sayed M.
Published: December 2021

In this present article the entropy generation, induced magnetic field, and mixed convection stagnant point flow of pseudoplastic nano liquid over an elastic surface is investigated. The Buongiorno model is employed in modeling. Through the use of the boundary layer idea, flow equations are transformed from compact to component form. The system of equations is solved numerically. The Induced magnetic spectrum falls near the boundary and grows further away as the reciprocal of the magnetic Prandtl number improves. The fluctuation of induced magnetic rises while expanding the values of mixed convection, thermophoresis, and magnetic parameters, whereas it declines for increment in the Brownian and stretching parameters. The velocity amplitude ascends and temperature descends for the rise in magnetic parameter. The mass transfer patterns degrade for the higher amount of buoyancy ratio while it boosts by the magnification of mixed convection and stretching parameters. Streamlines behavior is also taken into account against the different amounts of mixed convection and magnetic parameters. The pseudoplastic nanofluids are applicable in all electronic devices for increasing the heating or cooling rate in them. Further, pseudoplastic nanofluids are also applicable in reducing skin friction coefficient.
Preclinical evidence of remote ischemic conditioning in ischemic stroke, a metanalysis update
Authors: Torres-Querol Coral , Quintana-Luque Manuel , Arque Gloria , Purroy Francisco
Published: December 2021

Remote ischemic conditioning (RIC) is a promising therapeutic approach for ischemic stroke patients. It has been proven that RIC reduces infarct size and improves functional outcomes. RIC can be applied either before ischemia (pre-conditioning; RIPreC), during ischemia (per-conditioning; RIPerC) or after ischemia (post-conditioning; RIPostC). Our aim was to systematically determine the efficacy of RIC in reducing infarct volumes and define the cellular pathways involved in preclinical animal models of ischemic stroke. A systematic search in three databases yielded 50 peer-review articles. Data were analyzed using random effects models and results expressed as percentage of reduction in infarct size (95% CI). A meta-regression was also performed to evaluate the effects of covariates on the pooled effect-size. 95.3% of analyzed experiments were carried out in rodents. Thirty-nine out of the 64 experiments studied RIPostC (61%), sixteen examined RIPreC (25%) and nine tested RIPerC (14%). In all studies, RIC was shown to reduce infarct volume (− 38.36%; CI − 42.09 to − 34.62%) when compared to controls. There was a significant interaction caused by species. Short cycles in mice significantly reduces infarct volume while in rats the opposite occurs. RIPreC was shown to be the most effective strategy in mice. The present meta-analysis suggests that RIC is more efficient in transient ischemia, using a smaller number of RIC cycles, applying larger length of limb occlusion, and employing barbiturates anesthetics. There is a preclinical evidence for RIC, it is safe and effective. However, the exact cellular pathways and underlying mechanisms are still not fully determined, and its definition will be crucial for the understanding of RIC mechanism of action.
Psychological state of a sample of patients with mood disorders during the first French COVID-19 lockdown
Authors: Olié Emilie , Dubois Jonathan , Benramdane Myriam , Guillaume Sébastien , Courtet Philippe
Published: December 2021

Since the beginning of the COVID-19 pandemic, evidence shows the negative psychological impact of lockdown measures in the general population. It is also important to identify predictors of psychological distress in vulnerable people, particularly patients with history of depressive episodes (the most prevalent psychiatric disorder), in order to adapt mental health strategies for future lockdown measures. This study aim was to (1) compare in 69 healthy controls (HC) and 346 patients with a major depressive episode in the two previous years (PP) self-reported psychological symptoms (depression, anxiety, insomnia, suicidal ideation, traumatic stress, anger) and living conditions during the first national French lockdown, and (2) identify predictors of significant psychological distress in PP. The levels of psychological symptoms were very low in HC compared with PP, independently of the living conditions. Half of PP had no psychiatric contact during the lockdown. Loneliness and boredom were independent predictors of depression, anxiety and insomnia, whereas daily physical activity was a protective factor. Virtual contacts protected against suicidal ideation. Our results highlight the need of specific strategies to target loneliness and boredom and to improve care access, including telepsychiatry. Longitudinal studies must investigate the COVID-19 pandemic psychological impact in clinical samples.
The improved grasshopper optimization algorithm and its applications
Authors: Qin Peng , Hu Hongping , Yang Zhengmin
Published: December 2021

Grasshopper optimization algorithm (GOA) proposed in 2017 mimics the behavior of grasshopper swarms in nature for solving optimization problems. In the basic GOA, the influence of the gravity force on the updated position of every grasshopper is not considered, which possibly causes GOA to have the slower convergence speed. Based on this, the improved GOA (IGOA) is obtained by the two updated ways of the position of every grasshopper in this paper. One is that the gravity force is introduced into the updated position of every grasshopper in the basic GOA. And the other is that the velocity is introduced into the updated position of every grasshopper and the new position are obtained from the sum of the current position and the velocity. Then every grasshopper adopts its suitable way of the updated position on the basis of the probability. Finally, IGOA is firstly performed on the 23 classical benchmark functions and then is combined with BP neural network to establish the predicted model IGOA-BPNN by optimizing the parameters of BP neural network for predicting the closing prices of the Shanghai Stock Exchange Index and the air quality index (AQI) of Taiyuan, Shanxi Province. The experimental results show that IGOA is superior to the compared algorithms in term of the average values and the predicted model IGOA-BPNN has the minimal predicted errors. Therefore, the proposed IGOA is an effective and efficient algorithm for optimization.
The proteome, not the transcriptome, predicts that oocyte superovulation affects embryonic phenotypes in mice
Authors: Taher Leila , Israel Steffen , Drexler Hannes C. A. , Makalowski Wojciech , Suzuki Yutaka , Fuellen Georg , Boiani Michele
Published: December 2021

Superovulation is the epitome for generating oocytes for molecular embryology in mice, and it is used to model medically assisted reproduction in humans. However, whether a superovulated oocyte is normal, is an open question. This study establishes for the first time that superovulation is associated with proteome changes that affect phenotypic traits in mice, whereas the transcriptome is far less predictive. The proteins that were differentially expressed in superovulated mouse oocytes and embryos compared to their naturally ovulated counterparts were enriched in ontology terms describing abnormal mammalian phenotypes: a thinner zona pellucida, a smaller oocyte diameter, increased frequency of cleavage arrest, and defective blastocyst formation, which could all be verified functionally. Moreover, our findings indicate that embryos with such abnormalities are negatively selected during preimplantation, and ascribe these abnormalities to incomplete ovarian maturation during the time of the conventional superovulation, since they could be corrected upon postponement of the ovulatory stimulus by 24 h. Our data place constraints on the common view that superovulated oocytes are suitable for drawing general conclusions about developmental processes, and underscore the importance of including the proteins in a modern molecular definition of oocyte quality.
Intramammary treatment using allogeneic pure platelet-rich plasma in cows with subclinical mastitis caused by Gram-positive bacteria
Authors: Duque-Madrid Paulo C. , Velasco-Bolaños Juan , Ceballos-Márquez Alejandro , López Catalina , Carmona Jorge U.
Published: December 2021

The aims of the study were (1) to compare the cure risk of intramammary treatment of pure platelet rich plasma (P-PRP) or cefquinome sulfate (CS) in cows with subclinical mastitis (SCM) caused by Gram-positive bacteria, evaluated via somatic cell count (SCC) and the microbiological analysis of milk; (2) to compare the inflammatory/anti-inflammatory response of mammary gland to both treatments through the analyses of interleukins (IL), interferon gamma (IFN-γ), and tumour necrosis factor alpha (TNF-α) in milk. A non-inferiority randomized clinical trial was conducted. The null hypothesis was that cure risk in the experimental group (P-PRP) was inferior to the reference group (CS). A total of 103 cows were selected according to SCC and presence of Gram-positive bacteria, 49 cows were treated with CS and 54 cows were treated with P-PRP after determination of its cellular and molecular quality control. Cure was assessed by milk analyses at day 21 and 22 after treatment. Cows that remained with SCM were retreated at day 26, and cure assessed at day 47 and 48. Overall, bacteriological cure was observed in 16 cows (30%) of the P-PRP group, and 35 cows (71%) in CS group. Staphylococcus aureus cure risk was higher in CS group, but inconclusive for Streptococcus spp. The mean SCC increased in relation to time only in the P-PRP group. A direct relation between time and treatment for IL-1, IL-2, and IL-6 was observed, while no differences were observed for IL-4. Furthermore, IL-1 and IL-2 increased in cows treated twice in both groups. IL-8, IFN-γ, and TNF-α showed a significant interaction between time and treatment. IFN-γ concentration was lower in the P-PRP group compared to the CS on days 0 and 22. Leukocyte counts were lower in P-PRP when compared to whole blood. TGF-β1 and PF4 concentrations were higher in platelet lysates in comparison to P-PRGS and plasma. Moreover, PDGF-BB concentration was significantly higher in platelet lysates in comparison to plasma. Results obtained in this study demonstrate that SCM treated with PRP showed a lower rate of bacteriologic cure when compared to animals treated with CS.
Peptide backbone modifications of amyloid β (1–40) impact fibrillation behavior and neuronal toxicity
Authors: Schwarze Benedikt , Korn Alexander , Höfling Corinna , Zeitschel Ulrike , Krueger Martin , Roßner Steffen , Huster Daniel
Published: December 2021

Fibril formation of amyloid β (Aβ) peptides is one of the key molecular events connected to Alzheimer’s disease. The pathway of formation and mechanism of action of Aβ aggregates in biological systems is still object of very active research. To this end, systematic modifications of the Phe19–Leu34 hydrophobic contact, which has been reported in almost all structural studies of Aβ40 fibrils, helps understanding Aβ folding pathways and the underlying free energy landscape of the amyloid formation process. In our approach, a series of Aβ40 peptide variants with two types of backbone modifications, namely incorporation of (i) a methylene or an ethylene spacer group and (ii) a N-methylation at the amide functional group, of the amino acids at positions 19 or 34 was applied. These mutations are expected to challenge the inter-β-strand side chain contacts as well as intermolecular backbone β-sheet hydrogen bridges. Using a multitude of biophysical methods, it is shown that these backbone modifications lead, in most of the cases, to alterations in the fibril formation kinetics, a higher local structural heterogeneity, and a somewhat modified fibril morphology without generally impairing the fibril formation capacity of the peptides. The toxicological profile found for the variants depend on the type and extent of the modification.
Low bend loss femtosecond laser written waveguides exploiting integrated microcrack
Authors: Lee Timothy , Sun Qi , Beresna Martynas , Brambilla Gilberto
Published: December 2021

We introduce the fabrication and use of microcracks embedded in glass as an optical element for manipulating light propagation, in particular for enhancing waveguide performance in silica integrated optics. By using a femtosecond laser to induce a strong asymmetric stress pattern in silica, uniform cracks with set dimensions can be created within the substrate and propagated along a fixed path. The smoothness of the resulting cleave interface and large index contrast can be exploited to enhance waveguide modal confinement. As a demonstration, we tackle the longstanding high bend-loss issue in femtosecond laser written silica waveguides by using this technique to cleave the outer edge of laser written waveguide bends, to suppress radiative bend loss. The microcrack cross section is estimated to be 15 μm in height and 30 nm in width, for the 10 $$\times$$
×
 10 μm waveguides. At 1550 nm wavelength, losses down to 1 dB/cm at 10 mm bend radius were achieved, without introducing additional scattering. Both the cleave stress pattern and waveguide are fabricated with the same multiscan writing procedure, without requiring additional steps, and re-characterisation of the waveguides after 1 year confirm excellent long term performance stability.
Uncovering the characteristics of air pollutants emission in industrial parks and analyzing emission reduction potential: case studies in Henan, China
Authors: Gao Gengyu , Wang Shanshan , Xue Ruoyu , Liu Donghui , Ren He , Zhang Ruiqin
Published: December 2021

Industrial parks contribute greatly to China’s economic development while emitting huge air pollutants. It is necessary to study the characteristics of air pollutant emissions in industrial parks. In this study, emission inventories for 11 industrial parks were established. Meanwhile, the source emission and spatial distribution characteristics of the industrial park were analyzed. The cluster analysis was used to classify these parks into “4Hs”, “Mixed” and “4Ls” parks. “4Hs”, “Mixed” and “4Ls” represent that the levels of energy intensity, economic proportion of energy-intensive industries, coal proportion and pollution performance value are high, medium and low in turn. Then three emission reduction measures were set up to estimate the emission reduction potential and environmental impacts. The results show that: (1) the emissions of SO2, NOx, CO, PM10, PM2.5, VOCs and NH3 of 11 industrial parks in 2017 were 11.2, 23.1, 30.8, 8.3, 3.5, 5.1, and 1.1 kt, respectively. (2) Power plants were the largest source of SO2 and NOx emissions, and industrial processes were the largest emission source of CO, PM10, PM2.5, VOCs and NH3. (3) “4Hs” parks with traditional energy-intensive industries as the leading industries should be the emphasis of air pollutant emission reduction. (4) Through the optimal emission reduction measures, SO2, NOx, PM10, PM2.5 and VOCs were reduced by 81, 46, 51, 46 and 77%, respectively. Environmental impact reductions include 1.6 kt SO2eq acidified gas emissions, 1.4 kt PO43−eq eutrophication substances, 4.2 kt PM10eq atmospheric particulate emissions, 7.0 kt 1,4-DCEeq human toxic substances, and 5.2 kt PM2.5 eq breathing Inorganic. This study is helpful to understand the characteristics of air pollutants emissions in industrial parks and promotes the proposal and implementation of air pollutant emissions reduction strategies.
Life-long sports engagement enhances adult erythrocyte adenylate energetics
Authors: Pospieszna Barbara , Kusy Krzysztof , Slominska Ewa Maria , Zieliński Jacek
Published: December 2021

Regular physical activity reduces age-related metabolic and functional decline. The energy stored in adenine nucleotides (ATP, ADP, and AMP) is essential to enable multiple vital functions of erythrocytes and body tissues. Our study aimed to predict the rate of age-related changes in erythrocyte adenylate energetics in athletes and untrained controls. The erythrocyte concentration of adenylates was measured in 68 elite endurance runners (EN, 20–81 years), 58 elite sprinters (SP, 21–90 years), and 62 untrained individuals (CO, 20–68 years). Resting concentrations of ATP, total adenine nucleotide pool, and ADP/AMP ratio were lowest in the CO group and highest in the SP group. The concentration of erythrocyte ADP and AMP was lowest in the EN group and highest in the CO group. In all studied groups, we found a significant increase in the concentration of most erythrocyte adenylate metabolites with age. For ADP and AMP, the trend was also significant but decreasing. Our study strongly suggests that lifelong sports and physical activity participation supports erythrocyte energetics preservation. Although the direction and the predicted rates of change are similar regardless of the training status, the concentrations of particular metabolites are more advantageous in highly trained athletes than in less active controls. Of the two analyzed types of physical training, sprint-oriented training seems to be more efficient in enhancing erythrocyte metabolism throughout adulthood and old age than endurance training.
Alpha-diversity and microbial community structure of the male urinary microbiota depend on urine sampling method
Authors: Hrbacek Jan , Morais Daniel , Cermak Pavel , Hanacek Vitezslav , Zachoval Roman
Published: December 2021

Considerable variation exists in the methodology of urinary microbiota studies published so far including the cornerstone of any biomedical analysis: sample collection. The aim of this study was to compare the urinary microbiota of first-catch voided urine (FCU), mid-stream voided urine (MSU) and aseptically catheterised urine in men and define the most suitable urine sampling method. Forty-nine men (mean age 71.3 years) undergoing endoscopic urological procedures were enrolled in the study. Each of them contributed three samples: first-catch urine (FCU), mid-stream urine (MSU) and a catheterised urine sample. The samples were subjected to next-generation sequencing (NGS, n = 35) and expanded quantitative urine culture (EQUC, n = 31). Using NGS,Bacteroidetes,Firmicutes,andProteobacteriawere the most abundant phyla in our population. The most abundant genera (in order of relative abundance) included:Prevotella,Veillonella,Streptococcus,Porphyromonas,Campylobacter,Pseudomonas,Staphylococcus,Ezakiella,EscherichiaandDialister. Eighty-two of 105 samples were dominated by a single genus. FCU, MSU and catheterised urine samples differed significantly in three of five alpha-diversity measures (ANOVA,p < 0.05): estimated number of operational taxonomic units, Chao1 and abundance-based coverage estimators. Beta-diversity comparisons using the PIME method (Prevalence Interval for Microbiome Evaluation) resulted in clustering of urine samples according to the mode of sampling. EQUC detected cultivable bacteria in 30/31 (97%) FCU and 27/31 (87%) MSU samples. Only 4/31 (13%) of catheterised urine samples showed bacterial growth. Urine samples obtained by transurethral catheterisation under aseptic conditions seem to differ from spontaneously voided urine samples. Whether the added value of a more exact reflection of the bladder microbiota free from urethral contamination outweighs the invasiveness of urethral catheterisation remains to be determined.
Past climate conditions predict the influence of nitrogen enrichment on the temperature sensitivity of soil respiration
Authors: Tian Peng , Liu Shengen , Zhao Xuechao , Sun Zhaolin , Yao Xiong , Niu Shuli , Crowther Thomas W. , Wang Qingkui
Published: December 2021

The response of soil carbon release to global warming is largely determined by the temperature sensitivity of soil respiration, yet how this relationship will be affected by increasing atmospheric nitrogen deposition is unclear. Here, we present a global synthesis of 686 observations from 168 field studies to investigate the relationship between nitrogen enrichment and the temperature sensitivity of soil respiration. We find that the temperature sensitivity of total and heterotrophic soil respiration increased with latitude. In addition, for total and autotrophic respiration, the temperature sensitivity responded more strongly to nitrogen enrichment with increasing latitude. Temperature and precipitation during the Last Glacial Maximum were better predictors of how the temperature sensitivity of soil respiration responds to nitrogen enrichment than contemporary climate variables. The tentative legacy effects of paleoclimate variables regulate the response through shaping soil organic carbon and nitrogen content. We suggest that careful consideration of past climate conditions is necessary when projecting soil carbon dynamics under future global change.
Pathological manifestation of human endogenous retrovirus K in frontotemporal dementia
Authors: Phan Katherine , He Ying , Fu YuHong , Dzamko Nicolas , Bhatia Surabhi , Gold Julian , Rowe Dominic , Ke Yazi D. , Ittner Lars M. , Hodges John R. , Piguet Olivier , Kiernan Matthew C. , Halliday Glenda M. , Kim Woojin Scott
Published: December 2021

Background

Behavioral variant frontotemporal dementia (bvFTD) is a common form of younger-onset dementia with a proportion of cases overlapping pathologically and genetically with amyotrophic lateral sclerosis (ALS). Previous studies have identified that the human endogenous retrovirus K (HERV-K) is elevated in ALS serum and is associated with ALS TDP-43 pathology. In contrast, little is known about HERV-K changes in bvFTD. Here, we investigated the possible role of HERV-K in bvFTD.

Methods

We measured the HERV-K env gene in sporadic bvFTD (N = 63), sporadic ALS (N = 89), and control (N = 21) serum by ddPCR. We also analyzed HERV-K env, by qPCR, and the HERV-K reverse transcriptase protein, by confocal immunofluorescence microscopy, in the disease-affected superior frontal cortex of bvFTD with TDP-43 pathology.

Results

Here, we show that HERV-K env levels are significantly elevated (P = 3.5 × 10−6) in bvFTD compared to control serum, differentiating cases with an AUC value of 0.867. HERV-K env levels are also specifically elevated in the superior frontal cortex of bvFTD with TDP-43 pathology, with the HERV-K reverse transcriptase protein and TDP-43 deposit localized to the neuronal cytoplasm. Furthermore, in a neuronal cell line overexpression of TDP-43 induces HERV-K env transcription.

Conclusions

These results suggest that manifestation of HERV-K is associated with bvFTD TDP-43 pathology. Analysis of HERV-K in bvFTD may provide insight into an unrecognized but targetable perturbed pathology.
Hydrophobic immiscibility controls self-sorting or co-assembly of peptide amphiphiles
Authors: Wakabayashi Rie , Imatani Rino , Katsuya Mutsuhiro , Higuchi Yuji , Noguchi Hiroshi , Kamiya Noriho , Goto Masahiro
Published: December 2021

Self-sorting and co-assembly of aqueous supramolecular fibres were formed using peptide amphiphiles having immiscible hydrophobic tails.
Electrocatalytic oxidative upgrading of biomass platform chemicals: from the aspect of reaction mechanism
Authors: Zhou Hua , Li Zhenhua , Ma Lina , Duan Haohong
Published: December 2021

We describe the recent progress in oxidative biomass electrorefining via inner-sphere and outer-sphere anodic reactions.
Metal–organic framework-assisted synthesis of Zr-modified SAPO-34 zeolites with hierarchical porous structure for the catalytic transformation of methanol to olefins
Authors: Yao Jihui , Rong Yuzi , Gao Zeyan , Tang Xiaohua , Zha Fei , Tian Haifeng , Chang Yue , Guo Xiaojun
Published: December 2021

Zr-Modified SAPO-34 zeolites with hierarchical porous structure were synthesized in the presence of UiO-66. The Zr0.50-SAPO-34 zeolites exhibited long lifetimes (>1500 min) and excellent selectivity for light olefins (98.66%) in the MTO reaction.
Theoretical mechanistic insights into dinitrogen cleavage by a dititanium hydride complex bearing PNP-pincer ligands
Authors: Yang Jimin , Zhuo Qingde , Mo Zhenbo , Hou Zhaomin , Luo Yi
Published: December 2021

The mechanism of dinitrogen cleavage by a PNP-coordinated dititanium polyhydride complex has been computationally investigated. The planarity of PNP-pincer ligand and polarity of solvent could affect the reactivity of N2 activation.
A polysaccharide fromRosa roxburghiiTratt fruit attenuates high-fat diet-induced intestinal barrier dysfunction and inflammation in mice by modulating the gut microbiota
Authors: Wang Lei , Zhang Pan , Li Chao , Xu Fei , Chen Jie
Published: December 2021

ARosa roxburghiiTratt fruit polysaccharide was used to protect the colonic barrier function.
A fully integrated SNP genotyping system for hereditary hearing-loss detection
Authors: Li Nan , Zhang Yuanyue , Shen Minjie , Xu Youchun
Published: December 2021

A fully integrated SNP genotyping system was constructed to detect seven hotspot deafness-associated mutations from human whole blood.
NMR metabolomic and microarray-based transcriptomic data integration identifies unique molecular signatures of hypersensitivity pneumonitis
Authors: Dasgupta Sanjukta , Ghosh Nilanjana , Choudhury Priyanka , Joshi Mamata , Chowdhury Sushmita Roy , Bhattacharyya Parthasarathi , Chaudhury Koel
Published: December 2021

This original article focuses on integrated metabolomics and transcriptomics analysis to understand the pathogenesis of hypersensitivity pneumonitis (HP).
2-Dimensional layered molybdenum disulfide nanosheets and CTAB-assisted molybdenum disulfide nanoflower for high performance supercapacitor application
Authors: Ganesha H. , Veeresh S. , Nagaraju Y. S. , Vandana M. , Basappa M. , Vijeth H. , Devendrappa H.
Published: December 2021

It represents the supercapacitor performance of the MoS2 nanosheets and CTAB assisted MoS2 nanoflower morphology have been investigated.
An easily fabricated nano-hydroxyapatite modified glassy carbon electrode for the degradation of methylene blue
Authors: Han Di , Qian Gongming , Ye Qing , Feng Mingjia
Published: December 2021

According to the existing photocatalytic properties and adsorption properties of hydroxyapatite, the electrochemical properties of hydroxyapatite have been studied to provide ideas for the design of new mineral electrocatalysts.
An efficient strategy to enhance the photocatalytic activity of Ir-doped SrTiO3: a hybrid DFT approach
Authors: Modak Brindaban
Published: December 2021

Present study revealed that the codoping of Al, Cr, and La not only stabilize Ir in preferred oxidation state, but also form charge compensated system, thereby ensuring improved photoconversion efficiency under visible light.
Research advances on surface plasmon resonance biosensors
Authors: Wang Qi , Ren Zi-Han , Zhao Wan-Ming , Wang Lei , Yan Xin , Zhu Ai-song , Qiu Feng-mei , Zhang Ke-Ke
Published: December 2021

The surface plasmon resonance (SPR) phenomenon is of wide interest due to its sensitivity to changes in surface refractive index for the label-free, highly sensitive and rapid detection of biomarkers.
Dynamic tracking of p21 mRNA in living cells by sticky-flares for the visual evaluation of the tumor treatment effect
Authors: Zhao Tingting , Dong Fengqi , Hu Xinlong , Xu Yanli , Wei Wenmei , Liu Rui , Yu Fang , Fang Weijun , Shen Yuxian , Zhang Zhongping
Published: December 2021

A sticky-flare was constructed for dynamic monitoring the temporal and spatial variations of p21 mRNA in living cell, as well as visual evaluate tumor treatment effect and determine the tumor progression stage after cisplatin treatment.
Polydopamine coated TiO2nanofiber fillers for polyethylene oxide hybrid electrolytes for efficient and durable all solid state lithium ion batteries
Authors: Zhao Erqing , Guo Yudi , Zhang Awei , Wang Hongliang , Xu Guangri
Published: December 2021

Polydopamine coated TiO2nanofiber fillers have been synthesized by the hydrothermal method combined with PDA coating, and can significantly enhance the electrochemical properties and interfacial stability of the PEO polymer electrolyte.
Redox-sensitive ferrocene functionalised double cross-linked supramolecular hydrogels
Authors: Liubimtsev Nikolai , Kösterke Tom , Che Yunjiao , Appelhans Dietmar , Gaitzsch Jens , Voit Brigitte
Published: December 2021

Responsive double cross-linked hydrogels have proven to be a powerful approach to create smart polymer networks but unfold even greater potential if combined with supramolecular chemistry.
Direct synthesis of β-acyloxy aldehydes from linear allylic esters using O2 as the sole oxidant
Authors: Lei Shu-Hui , Zhong Ya , Cai Xian-Peng , Huang Qing , Qu Jian-Ping , Kang Yan-Biao
Published: December 2021

A simple and practical preparation of β-O substituted aldehydes directly from linear allylic esters using oxygen as the sole oxidant and tert-butyl nitrite  as a simple and sole redox cocatalyst is developed.
A novel NIR-II probe for improved tumor-targeting NIR-II imaging
Authors: Hu Chao , Guo Tengyu , Li Huizhou , Xu Pengfei , Xiao Yudong
Published: December 2021

In this work, we report a novel probe IR-RGD, which possesses a bright emission tail in the NIR-II region along with high quantum yield.
Hydrazone connected stable luminescent covalent–organic polymer for ultrafast detection of nitro-explosives
Authors: Asad Muhammad , Wang Ya-Jie , Wang Shan , Dong Qing-Guo , Li Lin-Ke , Majeed Saadat , Wang Qian-You , Zang Shuang-Quan
Published: December 2021

A novel H-COP was synthesized through Schiff-base condensation reaction, which shows high sensitivity (Ksv ∼ 106 M−1) and selectivity (μM level) towards nitro-explosives.
Reductive C(sp3)–C(sp3) homo-coupling of benzyl or allyl halides with H2 using a water-soluble electron storage catalyst
Authors: Yatabe Takeshi , Futakuchi Sayaka , Miyazawa Keishi , Shimauchi Daiki , Takahashi Yukina , Yoon Ki-Seok , Nakai Hidetaka , Ogo Seiji
Published: December 2021

Four requirements for the reductive C(sp3)–C(sp3) homo-coupling of benzyl/allyl halides in aqueous solution by using H2 as an electron source are described.
Materials by design at high pressures
Authors: Xu Meiling , Li Yinwei , Ma Yanming
Published: December 2021

This work summarizes and discusses recent progress in the theory-oriented discovery of new materials under high pressure, including hydrogen-rich superconductors, high-energy-density materials, inorganic electrides, and noble gas compounds.
Novel electrode architecture for subgaleal electroencephalography: a feasibility study
Authors: Ahnood Arman , Truong Nhan Duy , Fleiss Bobbi , Nikpour Armin , Kavehei Omid
Published: December 2021

Minimally invasive subcutaneous electroencephalography provides an emerging opportunity to address the need for continuous and chronic monitoring, where conventional technologies fail.
High surface area MnO2nanomaterials synthesized by selective cation dissolution for efficient water oxidation
Authors: Kunchala Ravi K. , Pushpendra  , Kalia Rimple , Naidu Boddu S.
Published: December 2021

High surface area MnO2nanomaterials were synthesized by a simple selective cation dissolution method. These nanostructures are highly active for photochemical as well as electrochemical water oxidation.
Hollow MoC/NC sphere for electromagnetic wave attenuation: direct observation of interfacial polarization on nanoscale hetero-interfaces
Authors: Huang Wenhuan , Gao Wenming , Zuo Shouwei , Zhang Luxi , Pei Ke , Liu Panbo , Che Renchao , Zhang Huabin
Published: December 2021

In situconstructing hetero-interface, and revealing its interfacial polarization is challenging. Here, the Mo defect-induced interfacial polarization on MoC(−)/NC(+) interface was clarified, and for the first time, directly observed by hologram.
A bioinspired Janus polyurethane membrane for potential periodontal tissue regeneration
Authors: He Yushui , Wang Xiao , He Yuanyuan , Zhao Xin , Lin Jingjing , Feng Yuan , Chen Jie , Luo Feng , Li Zhen , Li Jiehua , Tan Hong
Published: December 2021

Here, we developed a bioinspired degradable polyurethane membrane with Janus surface morphology and function by integrating the bioactive dopamine (DA) and the antibacterial Gemini quaternary ammonium salt (QAS).
Colorimetric immunosensor constructed using 2D metal–organic framework nanosheets as enzyme mimics for the detection of protein biomarkers
Authors: Zeng Yujing , Wang Minghui , Sun Zhaowei , Sha Lingjun , Yang Jie , Li Genxi
Published: December 2021

A colorimetric immunosensor for the analysis of protein has been fabricated by taking advantage of 2D Cu-MOF nanomaterials as enzyme mimics. The sensor shows great potential in clinical application and is suitable for POC testing.
Advances in FePt-involved nano-system design and application for bioeffect and biosafety
Authors: Hu Zunfu , Wei Qiulian , Zhang Huimin , Tang Weina , Kou Yunkai , Sun Yunqiang , Dai Zhichao , Zheng Xiuwen
Published: December 2021

The rapid development and wide application of nanomaterial-involved theranostic agents have drawn surging attention for improving the living standard of humankind and healthcare conditions.
Covalent RGD–graphene–phthalocyanine nanocomposite for fluorescence imaging-guided dual active/passive tumor-targeted combinatorial phototherapy
Authors: Ouyang Ancheng , Zhao Dongmu , Wang Xianglei , Zhang Wei , Jiang Tianyu , Li Aiying , Liu Wei
Published: December 2021

Stable multifunctional nanomedicine for fluorescence imaging-guided combinatorial phototherapy with dual active/passive tumor-targeting properties.
Anomalously persistent p-type behavior of WSe2 field-effect transistors by oxidized edge-induced Fermi-level pinning
Authors: Ngo Tien Dat , Choi Min Sup , Lee Myeongjin , Ali Fida , Yoo Won Jong
Published: December 2021

Strong Fermi-level pinning is observed in WSe2 devices with edge contacts due to the presence of an oxide layer at the etched interface.
Water-soluble CMY primary color electrochromic polymers: design, synthesis and full color control
Authors: Dai Dacheng , Ouyang Mi , Zhang Lina , Fu Haichang , Tao Bowen , Li Weijun , Lv Xiaojing , Bai Ru , Dong Yujie , Zhang Cheng
Published: December 2021

The next generation of electrochromic materials are required to be rich in color rendering, offer excellent processability and contribute to environmental protection.
Self-healing and stretchable conductor based on embedded liquid metal patterns within imprintable dynamic covalent elastomer
Authors: Chen Xiaoliang , Sun Peng , Tian Hongmiao , Li Xiangming , Wang Chunhui , Duan Jiankang , Luo Yongsong , Li Sheng , Chen Xiaoming , Shao Jinyou
Published: December 2021

A self-healing, robustly conductive and stretchable conductor based on embedded liquid metal patterns was fabricated via a structure-confined filling strategy.
Direct mechano-sliding transfer of chemical vapor deposition grown silicon nanowires for nanoscale electronic devices
Authors: Yin Dongbao , Li Jie , Feng Jianfei , Liu Wenzhe , Yang Zhiheng , Li Shiyun , Li Mingliang , Li Lidong , Guo Xuefeng
Published: December 2021

A mechano-sliding strategy for controllable assembly of nanowires was demonstrated by directly transferring chemical vapor deposition grown silicon nanowires to obtain nanoscale electronic devices.