bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gut microbiota, bile acids, and nature compounds
Authors: Cheng Hao , Liu Juan , Zhang Dandan , Tan Yuzhu , Feng Wuwen , Peng Cheng 
Published: June 2022

AbstractNatural compounds (NPs) have historically made a major contribution to pharmacotherapy in various diseases and drug discovery. In the past decades, studies on gut microbiota have shown that the efficacy of NPs can be affected by the interactions between gut microbiota and NPs. On one hand, gut microbiota can metabolize NPs. On the other hand, NPs can influence the metabolism and composition of gut microbiota. Among gut microbiota metabolites, bile acids (BAs) have attracted widespread attention due to their effects on the body homeostasis and the development of diseases. Studies have also confirmed that NPs can regulate the metabolism of BAs and ultimately regulate the physiological function of the body and disease progresses. In this review, we comprehensively summarize the interactions among NPs, gut microbiota, and BAs. In addition, we also discuss the role of microbial BAs metabolism in understanding the toxicity and efficacy of NPs. Furthermore, we present personal insights into the future research directions of NPs and BAs.
Numerical entropy conservation without sacrificing Charney–Phillips grid optimal wave propagation
Authors: Thuburn John 
Published: June 2022

AbstractConservation of entropy or potential temperature and accurate representation of wave propagation without computational modes are both desirable properties for a numerical model of the atmosphere. However, they appear to require different model formulations, forcing model developers to choose between them. Here it is shown that, by a straightforward modification of the horizontal entropy fluxes, numerical entropy conservation can be achieved without sacrificing accurate wave propagation. The result is confirmed by a numerical linear normal mode analysis for a simple but suitably modified finite‐volume scheme, and by buoyant bubble and gravity‐wave test cases in a vertical slice model using a suitably modified conservative semi‐Lagrangian transport scheme.
Two‐stage degradation modeling for remaining useful life prediction based on the Wiener process with measurement errors
Authors: Guan Qingluan , Wei Xiukun , Bai Wenfei , Jia Limin 
Published: June 2022

AbstractRemaining useful life prediction (RUL) is a key component in the application of prognostics and health management associated with devices or systems. But such RUL predictions are cumbersome owing to complexities from external effects and internal degradation mechanisms within systems. Specifically, it is common for degradation processes to comprise distinct multiple stages rather than just one uniform stage in many mechanical systems. In particular, the two‐stage degradation modeling for RUL prediction based on the Wiener process with linear drift has received significant attention in recent years. However, negative effects of measurement errors and stochasticity of the degradation states are generally excluded from current degradation modeling, which causes inaccuracy problems that can impact system maintenance schedules and operational efficiency. Therefore, to solve such problems, measurement errors are considered in this paper and a two‐stage degradation model is proposed, in which an adaptive term is also characterized by the Wiener process. The transition probability density function (TPDF) of the degradation state at the two‐stage changing point is derived and an analytical solution for the RUL is obtained under the concept of the first hit time (FHT). A Kalman filter and smoothing algorithm are introduced to estimate variables, and the expectation maximization (EM) algorithm is applied to update and estimate model parameters. Finally, the effectiveness and applicability of the proposed model in RUL predictions are verified through numerical simulation and a case study of bearings.
An autonomous robot for shell and tube heat exchanger inspection
Authors: Zheng Bujingda , Su Jheng‐Wun , Xie Yunchao , Miles Jonathan , Wang Hong , Gao Wenxin , Xin Ming , Lin Jian 
Published: June 2022

AbstractShell and tube heat exchangers (STHEs) are critical to energy conversion efficiency of power plants. Eddy current examination is a way to evaluate working conditions of these tubes. However, the current testing apparatus requires human to manually insert an eddy current testing (ECT) probe into and extract it out of individual tubes, and meanwhile monitor measurement results for diagnosis. It is a time‐consuming and labor‐intensive procedure even for an experienced technician. To tackle this challenge, in this study, we developed a robot enabled ECT system for autonomous inspection of STHEs. The robotic platform employs Mecanum wheeled chassis for high mobility, machine vision to locate tube bundle and tube inlets, a rotational Cartesian mechanism to operate at planes with all possible inclinations, and a task‐specific mechanism for ECT probe delivery. Machine vision locates tube bundle and tube inlets by an April tag detection algorithm and a Circle Hough Transform algorithm, respectively. Assisted by a guiding cone, the ECT probe is continuously fed into the tubes with a fill factor of 0.819. During this process, the eddy current data are automatically collected and real‐time analyzed by convolutional neural networks, showing accuracy of nearly 100% for identifying defective and nondefective tubes and 85% for four types of defective tubes and nondefective tubes.
Landsat time series reveal forest loss and woody encroachment in the Ngorongoro Conservation Area, Tanzania
Authors: Borges Joana , Higginbottom Thomas P. , Cain Bradley , Gadiye Donatus E. , Kisingo Alex , Jones Martin , Symeonakis Elias 
Published: June 2022

AbstractThe Ngorongoro Conservation Area (NCA) of Tanzania, is globally significant for biodiversity conservation due to the presence of iconic fauna, and, since 1959 has been managed as a unique multiple land‐use areas to mutually benefit wildlife and indigenous residents. Understating vegetation dynamics and ongoing land cover change processes in protected areas is important to protect biodiversity and ensure sustainable development. However, land cover changes in savannahs are especially difficult, as changes are often long‐term and subtle. Here, we demonstrate a Landsat‐based monitoring strategy incorporating (i) regression‐based unmixing for the accurate mapping of the fraction of the different land cover types, and (ii) a combination of linear regression and the BFAST trend break analysis technique for mapping and quantifying land cover changes. Using Google Earth Pro and the EnMap‐Box software, the fractional cover of the main land cover types of the NCA were accurately mapped for the first time, namely bareland, bushland, cropland, forest, grassland, montane heath, shrubland, water and woodland. Our results show that the main changes occurring in the NCA are the degradation of upland forests into bushland: we exemplify this with a case study in the Lerai Forest; and found declines in grassland and co‐incident increases in shrubland in the Serengeti Plains, suggesting woody encroachment. These changes threaten the wellbeing of livestock, the livelihoods of resident pastoralists and of the wildlife dependent on these grazing areas. Some of the land cover changes may be occurring naturally and caused by herbivory, rainfall patterns and vegetation succession, but many are linked to human activity, specifically, management policies, tourism development and the increase in human population and livestock. Our study provides for the first time much needed and highly accurate information on long‐term land cover changes in the NCA that can support the sustainable management and conservation of this unique UNESCO World Heritage Site.
Catalysts Optimization of WO3‐SiO2 Supported Iridium for NOx Reduction by CO under Excess Oxygen Conditions
Authors: Zhou Yuansong , Gao Fengyu , Tang Xiaolong , Meng Jingxuan , Du Ying , Yi Honghong 
Published: June 2022

AbstractA series of Ir‐based catalysts were prepared by ultrasonic‐assisted equal‐volume impregnation to evaluate the catalytic performance of selective catalytic reduction of NOx by CO (CO‐SCR) with excess O2 in simulated flue gas. We investigated the effects of different carrier, Ir loading, and composite carrier ratio (W/Si) on the CO‐SCR activities. The results showed that WO3 and SiO2 were effective carriers for the CO‐SCR reaction under oxygen‐rich conditions. Results of XRD and H2‐TPR studies indicated that metal Ir strongly interacted with carrier WO3 and SiO2, respectively, which improved the surface dispersion of active component Ir species and was conducive to the removal of NOx and CO. When W/Si molar ratio was 1/9 and Ir loading was 2 wt%, the Ir/WO3‐SiO2 catalyst reached 49 % NOx conversion and 76 % CO conversion at 225°C, while NO2 yield was also only 5 ppm. The effects of O2, SO2, and H2O on the structure of Ir/WO3‐SiO2 were analyzed by XRD and XPS characterization methods. It was found that O2 could oxidize Ir species to IrO2, thereby inhibiting NOx reduction. A low concentration of SO2 can weaken the process of Ir oxidation, promote NOx reduction, and improve catalytic activity. H2O can reduce the NOx conversion rate and inhibit the CO‐SCR reaction, but the inhibition effect is reversible.
Phytochemical Analysis and Biological Evaluation of Hypericum linarioides Bosse: in Vitro and in Silico Studies
Authors: Altay Ahmet , Yeniçeri Esma Kübra Kağan , Taslimi Parham , Taskin‐Tok Tugba , Yılmaz Mustafa Abdullah , Köksal Ekrem 
Published: June 2022

AbstractThe aim of this study is to determine the phenolic composition of Hypericum linarioides Bosse, to assess its various biological properties, and finally to confirm the experimental data of enzyme inhibitions via docking studies. LC‐MS/MS analysis performed over methanol extract (ME) revealed the presence of 27 phytochemicals. Antioxidant activity results indicated that ME had the strongest DPPH radical scavenging and ferric ion reducing capacity than water and hexane extracts. XTT assays revealed the strongest anti‐proliferative activity of ME against MCF‐7 and HT‐29 cancer cells. Flow cytometry results also confirmed the notable apoptotic effect of ME on MCF‐7 cells through mitochondria‐dependent pathway. Enzyme activity results exhibited the most promising acetylcholinesterase and α‐glycosidase inhibitory activities of the ME. Molecular docking calculations of α‐glycosidase with the major compounds (1, 15, 17 and 19) indicated that 17 (isoquercitrin) had the best docking binding energy (−10.92 kcal/mol) with appropriate binding interactions.
Evaluation of Efficacy of“Cassia renigera”Leaf Extract Mediated ZnO Nanoparticles as Nano Fertilizer for Cauliflower Plant
Authors: Parveen Khadeeja , Kumar Naveen , Sharma Deepika , Ledwani Lalita 
Published: June 2022

AbstractPresent study portrays, environment benign and cost‐effective method to synthesize Zinc oxide nanoparticles (ZnO NPs) usingCassia renigeraleaf extract (CRLE). X‐ray diffraction profile was analyzed using Rietveld refinement technique which revealed the hexagonal crystallinity with space groupP63mc. FTIR spectrum ofCassia renigeraleaf extract mediated ZnO NPs (CRLE: ZnO NPs) showed bends located at 3352 cm−1and 1394 cm−1belonging to phenolic groups present in phytochemicals of CRLE, which manifested that CRLE acted as capping agent for ZnO NPs. UV‐Visible absorption spectrum displayed strong humps located at 240 nm and 280 nm, respectively in the UV range confirming the formation of CRLE: ZnO NPs which has depicted non‐uniform grain distribution without any traces of agglomeration with grain size ranging ∼ 28–112 nm. The application of CRLE: ZnO NPs in Cauliflower seedling inhibited the effect of Cauliflower pathogen′Xanthomonas campestris pv campestris′ (Xcc) and also helped in plant metabolism. CRLE: ZnO NPs uptake, translocation and biotransformation in the form of Zn2+affected the overall growth of the plant with enriched micronutrients. CRLE: ZnO NPs were introduced in the cauliflower crops through seeds and promising results were obtained. Introduction of CRLE: ZnO NPs in Cauliflower seeds developed good growth parameters as compared to bare seeds.
Photocatalytic Degradation of Ortho‐Nitrophenol using ZnO‐β‐CD Nanocomposite
Authors: Yadav Renu , Chundawat Tejpal S. , Surolia Praveen K. , Vaya Dipti 
Published: June 2022

AbstractPhenolic compounds are present as pollutant in the industrial waste water. The present work deals with the photocatalytic degradation of Ortho‐Nitrophenol by using Zinc oxide Nanoparticles (ZnO NPs) and its composite with β‐Cyclodextrin (β‐CD) represented as ZnO‐β‐CD. ZnO NPs were prepared by using Sol Gel Method. The morphological and structural properties were studied using SEM EDAX, PXRD, FT‐IR and UV‐DRS. Effect of pH was also studied. ZnO NPs degraded the Ortho‐Nitrophenol up to 25.8 % and it was enhanced by the addition of β‐CD up to 88.9 % in 100 minutes. Catalysts used were 1 g/L during the degradation.
Highly Efficient Chemoselective Hydrogenation of 5‐HMF to BHMF over Reusable Bimetallic Pd‐Ir/C Catalyst
Authors: Ratrey Geetanjali , Solanki Bhanupratap S , Kamble Sanjay P , Rode Chandrashekhar V. 
Published: June 2022

AbstractCatalytic synergism was observed for a bimetallic Pd−Ir catalyst supported on activated carbon for chemoselective hydrogenation of 5‐hydroxymetahyl furfural (5‐HMF) to 2, 5‐(bishydroxymethyl) furan (BHMF) with complete conversion and 97 % selectivity under very mild reaction conditions. The structural characterization like XRD, N2 sorption, FE‐SEM and TEM suggested formation of fine nanoparticles (1.95–3.08 nm) having very higher surface area, uniform distribution and mesoporous nature of the material. XPS spectra and Pyridine‐IR spectroscopy revealed formation of Pd‐PdO and Ir/IrO2/IrO3 interface on the catalytic surface along with strong Brönsted acidic sites which were responsible for high efficiency of catalyst at 80 °C, 100 psig H2 pressure at 5‐HMF/Catalyst=20 and within 2.5 h of reaction time. A plausible reaction mechanism is also elucidated based on structure activity correlation.
1,3‐Dimethylbarbituric Acid Promoted Metal‐Free Cascade Annulation for Straightforward Access to Benzimidazole‐Fused Heterocycles
Authors: Alizadeh Abdolali , Bagherinejad Akram , Kayanian Jasmine 
Published: June 2022

AbstractA convenient and novel 1,3‐dimethylbarbituric acid‐mediated methodology for constructing diverse benzimidazole‐fused heteroaromatics has been developed. This metal‐free cascade annulation of readily available 3‐formylchromones, 1,2‐diaminoarenes, and cyclic 1,3‐dicarbonyl compounds provides an alternative synthetic route in the green conditions. 1,3‐Dimethylbarbituric acid acts as a protecting group and accelerates intramolecular cyclization. This one‐pot protocol proceeds through cascade nucleophilic addition, ring‐opening, Michael‐type addition, intramolecular cyclization, elimination, and air oxidation reactions.
Thiosemicarbazone Derivatives Act as Potent Urease Inhibitors; Synthesis, Bioactivity Screening and Molecular Docking Study
Authors: Moghadam Ebrahim Saeedian , Al‐Sadi Abdullah Mohammed , Talebi Meysam , Amanlou Massoud , Stoll Raphael , Amini Mohsen , Abdel‐Jalil Raid 
Published: June 2022

AbstractAn enzyme called urease assists highly pathogenic bacteria in colonizing and maintaining themselves. Accordingly, inhibiting urease enzymes has been shown to be a promising strategy for preventing ureolytic bacterial infections. So, design and synthesis of potent and safe urease inhibitors converted to an interesting target for medicinal chemists. In this study, the design, synthesis, and bioactivity of fourteen thiosemicarbazone derivatives 5 a–n are described as potent urease inhibitors. A variety of spectroscopic techniques (1H‐NMR, 13C‐NMR, MS), and elemental analysis were utilized to determine the structure of 5 a–n. Interestingly, all 5 a–n showed higher inhibitory activity (IC50: 4.08 to 11.31 μM) than the standards thiourea and hydroxyurea (IC50: 22 and 100 μM respectively). 5 g and 5 f exhibited the best activity with IC50 values of 4.08 and 4.79 μM, respectively. Molecular docking was also used to reveal the potential interactions between the enzyme‘s active site and the most active compound. An MTT assay was conducted on two different cell lines to investigate the cytotoxic effect of the tested compounds. all 5 a–n have IC50 values above 50 μM on both tested cell lines. In conclusion, current reported compounds are potent and safe enough to continue further bioassays to find a new drug candidate.
MnO2 Nanozyme‐Loaded MXene for Cancer Synergistic Photothermal‐Chemodynamic Therapy
Authors: Li Jingqi , Cai Xinda , Zhang Yihan , Li Kangning , Guan Lingyun , Li Yilong , Wang Ting , Sun Tiedong 
Published: June 2022

AbstractNanozymes, as an emerging representative of nanocatalytic technology, have recently been widely used in the treatment of tumors. However, considering the limitation of the tumor microenvironment (TME) on the catalytic activity of nanozymes, the efficacy of cancer therapy appears to be more resistant. In this paper, we have synthesized PVP/MnO2‐Ti3C2 composites by combining MXene and MnO2 nanozymes and modifying them with polyvinylpyrrolidone (PVP). MnO2 brings dual enzymatic activities to the composites. It can alleviate tumor hypoxia by O2 production and kill tumor cells by producing highly toxic ⋅OH. In addition, glutathione (GSH) overexpressed is also depleted. MXene brings PTT, which not only can ablate tumors using local high temperature under the irradiation of NIR laser but also further improves the efficacy of ROS. Thus, this study provides evidence for the enhanced efficacy of PTT in combination with CDT for tumors.
Metal‐Free Rapid Diastereoselective Construction of Isocryptolepine Core via Elecrophilic Dearomatization ‐ Inramolecular Michael Addition Sequence
Authors: Morozov Vyacheslav , Shklyaev Yurii 
Published: June 2022

AbstractA method for rapid construction of indolo[3,2‐l]acridin‐7‐one systems bearing isocryptolepine scaffold is described. Metal‐free condensation of (4‐methoxyphenyl)cyclohexan carbinols with ortho‐amino/hydroxybenzonitriles in concentrated sulfuric acid yields polyannulated compounds with four new stereogenic centers in a highly diastereoselective manner. The reaction includes elecrophilic dearomatization of methoxyarene, formation of spirocyclic intermediate and intramolecular 1,4‐nucleophilic addition sequence.
Transition Metal Non‐Oxides as Electrocatalysts: Advantages and Challenges
Authors: Das Chandni , Sinha Nibedita , Roy Poulomi 
Published: June 2022

AbstractThe identification of hydrogen as green fuel in the near future has stirred global realization toward a sustainable outlook and thus boosted extensive research in the field of water electrolysis focusing on the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR). A huge class of compounds consisting of transition metal‐based nitrides, carbides, chalcogenides, phosphides, and borides, which can be collectively termed transition metal non‐oxides (TMNOs), has emerged recently as an efficient class of electrocatalysts in terms of performance and longevity when compared to transition metal oxides (TMOs). Moreover, the superiority of TMNOs over TMOs to effectively catalyze not only OERs but also HERs and ORRs renders bifunctionality and even trifunctionality in some cases and therefore can replace conventional noble metal electrocatalysts. In this review, the crystal structure and phases of different classes of nanostructured TMNOs are extensively discussed, focusing on recent advances in design strategies by various regulatory synthetic routes, and hence diversified properties of TMNOs are identified to serve as next‐generation bi/trifunctional electrocatalysts. The challenges and future perspectives of materials in the field of energy conversion and storage aiding toward a better hydrogen economy are also discussed in this review.
A new lobopodian from the middle Cambrian of Utah: did swimming body flaps convergently evolve in stem‐group arthropods?
Authors: Lerosey‐Aubril Rudy , Ortega‐Hernández Javier 
Published: June 2022

AbstractArthropods are ubiquitous in all modern habitats and yet their origin remains poorly documented. It is widely thought that their segmented and arthrodized body evolved from the annulated vermiform body of a lobopodian ancestor c. 540 Ma. This major transformation included the evolution of sclerotized and articulated appendages from annulated non‐jointed limbs or lobopods. However, this scenario is complicated by the presence in many stem‐group arthropods of body flaps of various origins, characteristics and functions. We describe the new lobopodian Utahnax vannieri gen. et sp. nov. from Drumian strata of the House Range in Utah. Known from an incomplete specimen, this taxon features a vermiform, annulated body flanked by pairs of swimming flaps, except in the caudal region, and a digestive system with putative glands. Extensions of the body cavity into the body flaps of Utahnax suggest that they are modified lobopods similar to the ventral body flaps of radiodonts; as such, they are not homologous to the dorsal body flaps of the stem‐group arthropods Opabinia, Pambdelurion, and possibly Kerygmachela. We discuss the details of the limb anatomy of these three taxa and consider an alternative interpretation for Kerygmachela. Despite morphological similarities in radiodonts, Utahnax, and possibly Kerygmachela, our parsimony and Bayesian inference phylogenetic analyses suggest that ventral body flaps have evolved convergently in those taxa, probably accompanying a shift towards a predominantly swimming predatory lifestyle. Ecological competition with radiodonts is proposed as an explanation for the scarcity of non‐radiodont swimming lobopodians in Cambrian Lagerstätten.
Mobil catalytic material number 41 modified magnetite nano‐composites for efficient extraction of non‐steroidal anti‐inflammatory drugs from tap water and urine samples
Authors: Kumar Sandeep , Bhogal Shikha , Sharma Promila , Rani Susheela , Aulakh Jatinder Singh , Malik Ashok Kumar 
Published: June 2022

AbstractMagnetite modified mobil catalytic material number 41 (MCM‐41) nano‐composites have been synthesized for the effective determination and separation of non‐steroidal anti‐inflammatory drugs (diclofenac, ketoprofen, and mefenamic acid) using high‐performance liquid chromatography. The synthesized magnetite‐modified MCM‐41 nano‐composites were characterized by scanning electron microscopy coupled with energy dispersed spectrum, transmission electron microscopy, Fourier transform infrared spectroscopy, thermogravimetric analysis, N2 adsorption‐desorption analysis, and vibratory sample magnetometer analysis. Magnetite modified MCM‐41 was further utilized in magnetic solid‐phase extraction to separate non‐steroidal anti‐inflammatory drugs from tap water and urine samples. The as‐prepared nano‐composites demonstrated a fast (5 min) and efficient (94.42%–102.42%) technique for the detection of non‐steroidal anti‐inflammatory drugs. The limit of detection and limit of quantification of the developed method were in the range of 0.08–0.14 and 0.26–0.46 ng/ml respectively.