bluuebunny/crossref_metadata_2025 huggingface dataset:
Ensuring the Environmental Friendliness of Drillships during Their Operation in Special Ecological Regions of Northern Europe
Authors: Sagin Sergii , Kuropyatnyk Oleksiy , Sagin Arsenii , Tkachenko Ivan , Fomin Oleksij , Píštěk Václav , Kučera Pavel
Published: September 2022

The features of the operation of the drillship-type vessels in special ecological regions of Northern Europe are considered. The main gap in the study of these systems is to determine the optimal degree of recirculation. The requirements of the International Maritime Organization for the emission of nitrogen oxides from the exhaust gases of marine diesel engines are given. The aim of the study is to determine the optimal degree of recirculation of exhaust gases of a 16V32 STX-MAN marine diesel. During the research, the optimal degree of exhaust gas recirculation varied in the range of 0–21%, the load on the diesel—in the range of 35–95% of the rated power. It was established that in this case, the emission of nitrogen oxides decreases up to 7.7–33.6%, the specific fuel consumption increases up to 0.2–3.5%. It was also found that the use of gas recirculation in the range of 18–21% at loads of 35–55% leads to a critical increase in exhaust gas temperature. It is advisable to use exhaust gas recirculation in the range of 6–15% to ensure the environmental friendliness of the operation of the drillships. In these modes, the maximum reduction in nitrogen oxide emissions is ensured with a minimum increase in specific fuel consumption. Future studies should be directed at the development of the criteria for the environmental stability of sea vessels.
Accounting Conservatism and Earnings Quality
Authors: Zadeh Farzaneh , Askarany Davood , Asl Solmaz
Published: September 2022

Purpose—The study on the relationship between accounting conservatism and earnings quality is not new. However, the results are inconsistent and mixed, and to some degree, even contradictory, which represents a gap in the literature. The purpose of this study is to provide some explanations for these mixed results in the literature by investigating the effect of corporate governance mechanisms, as a moderator variable (which has not been considered in the literature before), on the relationship between accounting conservatism and earnings quality based on the Dechow and Dichev model and the modified Jones model. Design/methodology/approach—The statistical model used in this study is a multivariate regression model; furthermore, the statistical technique used to test the hypotheses is panel data. Findings—The findings reveal that the adopted models (Dechow and Dichev) and the corporate governance mechanisms (such as board independence, large shareholders, and institutional ownership) can have a moderating effect on the relationship between accounting conservatism and earnings quality. These findings are exciting, contribute to the current literature, and explain some of the reasons for mixed results. Practical implications—The findings of the current study provide an important guideline for firms to consider the impact of adopted models (Dechow and Dichev), as well as the corporate governance mechanisms (such as board independence, large shareholders, and institutional ownership) on the relationship between accounting conservatism and earnings quality. Originality/value—Examining the impact of Dechow and Dichev models as well as the corporate governance mechanisms on the relationship between accounting conservatism and earnings quality is new in this paper. It can explain part of the reasons for the mixed and inconsistent results in the literature.
Integrated Control of Spray System and Active Suspension Systems Based on Model-Assisted Active Disturbance Rejection Control Algorithm
Authors: Zhu Jianxu , Zhao Dingxuan , Liu Shuang , Zhang Zilong , Liu Guangyu , Chang Jinming
Published: September 2022

Due to the lack of body stability of emergency rescue vehicles, their attitude stability is insufficient and they are unable to realize working while driving, resulting in low rescue efficiency. Aiming at the water tower fire truck, which is equipped with an active suspension system, the vehicle attitude stability is studied. First, combined with the active suspension system and spray system, a 13-DOF integrated dynamic model for the water tower fire truck is established. Using the model-assisted active disturbance rejection control method, the controllers are designed for the vertical displacement, pitch angle, and roll angle of the vehicle attitude. Then, the computer simulation is carried out to verify the effectiveness of this control method. Finally, the water spray obstacle crossing experiment is carried out with a JP32G water tower fire truck. The results show that when the vehicle runs over the triangular obstacle on one side and two sides in the integrated spray-active suspension mode, the peak–peak values of body pitch angle and roll angle are reduced by 10.9% and 23.2%, and 23.7% and 16.3%, respectively, compared with the passive hydro pneumatic suspension.
Processing Large Outliers in Arrays of Observations
Authors: Tsitsiashvili Gurami
Published: September 2022

The interest in large or extreme outliers in arrays of empirical information is caused by the wishes of users (with whom the author worked): specialists in medical and zoo geography, mining, the application of meteorology in fishing tasks, etc. The following motives are important for these specialists: the substantial significance of large emissions, the fear of errors in the study of large emissions by standard and previously used methods, the speed of information processing and the ease of interpretation of the results obtained. To meet these requirements, interval pattern recognition algorithms and the accompanying auxiliary computational procedures have been developed. These algorithms were designed for specific samples provided by the users (short samples, the presence of rare events in them or difficulties in the construction of interpretation scenarios). They have the common property that the original optimization procedures are built for them or well-known optimization procedures are used. This paper presents a series of results on processing observations by allocating large outliers as in a time series in planar and spatial observations. The algorithms presented in this paper differ in speed and sufficient validity in terms of the specially selected indicators. The proposed algorithms were previously tested on specific measurements and were accompanied by meaningful interpretations. According to the author, this paper is more applied than theoretical. However, to work with the proposed material, it is required to use a more diverse mathematical tool kit than the one that is traditionally used in the listed applications.
Spongy-Network-like Polyaniline Thin Films as Electrodes for a Supercapacitor
Authors: Kharade P. M. , Thombare J. V. , Dhasade S. S. , Deokar S. S. , Salunkhe D. J. , Tamboli Mohaseen S. , Patil Santosh S.
Published: September 2022

An easy and cost-effective route is demonstrated to grow spongy-network-like polyaniline (SpN-PANI) thin films on stainless steel (SS) by galvanostatic electrodeposition. Through X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and scanning electron microscopy (SEM) characterizations, the physicochemical properties of the SpN-PANI thin films were fine-tuned for supercapacitor application. The hydrophilic nature of SpN-PANI thin films was examined by using contact angle measurements. Next, the capacitive behavior of the SpN-PANI thin film was assessed by using cyclic voltammetry (CV), galvanostatic charging-discharging (GCD), and electrochemical impedance spectroscopy (EIS). Specifically, these results show that SpN-PANI thin films can exhibit a maximum specific capacitance of 580 F.g−1 at a scan rate of 5 mV.s−1 in a 0.5 M Na2SO4 electrolyte solution, as well as superior cycling stability (84% capacity retention after 1000 cycles). Thus, the strategy presented here can be applicable to produce a SpN-PANI-based thin film which has prospects as an active electrode material for supercapacitor devices.
Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
Authors: Ullah Sana , Haq Hameed Ul , Salman Muhammad , Jan Faheem , Safi Faisal , Arain Muhammad Balal , Khan Muhammad Shahzeb , Castro-Muñoz Roberto , Boczkaj Grzegorz
Published: September 2022

Deep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with NR was studied using density functional theory (DFT) calculations. Experimentally, a UV-visible spectrophotometer was used for the quantitative analysis. The most important parameters affecting method performance, such as pH, extraction temperature, DES type, its volume, THF volume, sonication time, and centrifugation time, were optimized. The developed method provides exceptional sensitivity in terms of LOD and LOQ, which were 2.2 and 7.3 µg/L respectively. The relative standard deviation was 1.35–1.5% (n = 10), and the pre-concentration factor was 40. The method was found to be linear in the range of 2–300 µg/L (R2 = 0.9967). The method was successfully used for the determination of NR in wastewater samples. Finally, the DES-based method presents operational simplicity, high sensitivity, and rapid determination (<5 min) compared with other analytical procedures.
NMR-Based Metabolomic Analysis of Cardiac Tissues Clarifies Molecular Mechanisms of CVB3-Induced Viral Myocarditis and Dilated Cardiomyopathy
Authors: Kong Qing , Gu Jinping , Lu Ruohan , Huang Caihua , Chen Lili , Wu Weifeng , Lin Donghai
Published: September 2022

Viral myocarditis (VMC), which is defined as inflammation of the myocardium with consequent myocardial injury, may develop chronic disease eventually leading to dilated cardiomyopathy (DCM). Molecular mechanisms underlying the progression from acute VMC (aVMC), to chronic VMC (cVMC) and finally to DCM, are still unclear. Here, we established mouse models of VMC and DCM with Coxsackievirus B3 infection and conducted NMR-based metabolomic analysis of aqueous metabolites extracted from cardiac tissues of three histologically classified groups including aVMC, cVMC and DCM. We showed that these three pathological groups were metabolically distinct from their normal counterparts and identified three impaired metabolic pathways shared by these pathological groups relative to normal controls, including nicotinate and nicotinamide metabolism; alanine, aspartate and glutamate metabolism; and D-glutamine and D-glutamate metabolism. We also identified two extra impaired metabolic pathways in the aVMC group, including glycine, serine and threonine metabolism; and taurine and hypotaurine metabolism Furthermore, we identified potential cardiac biomarkers for metabolically distinguishing these three pathological stages from normal controls. Our results indicate that the metabolomic analysis of cardiac tissues can provide valuable insights into the molecular mechanisms underlying the progression from acute VMC to DCM.
Targeting Ceramides and Adiponectin Receptors in the Islet of Langerhans for Treating Diabetes
Authors: Li Wen-hong
Published: September 2022

Ceramides belong to the sphingolipid family and represent the central hub of the sphingolipid network. In obesity, oversupply of saturated fatty acids including palmitate raises ceramide levels which can be detrimental to cells. Elevated ceramides can cause insulin resistance, endoplasmic reticulum stress, and mitochondrial dysfunction. Studies over the last few decades have highlighted the role played by ceramides in pancreatic islet β-cell apoptosis, especially under glucolipotoxic and inflammatory conditions. This review focuses on ceramides and adiponectin receptor signaling, summarizing recent advancements in our understanding of their roles in islet β-cells and the discovery of zinc-dependent lipid hydrolase (ceramidase) activity of adiponectin receptors. The therapeutic potential of targeting these events to prevent islet β-cell loss for treating diabetes is discussed.
In Vivo Detection of Tetrodotoxin in Takifugu obscurus Based on Solid-Phase Microextraction Coupled with Ultrahigh-Performance Liquid Chromatography–Tandem Mass Spectrometry
Authors: Meng Hengli , Jiang Shui , Zhang Yin , Hu Yun , Liu Yuan
Published: September 2022

Pufferfish is nutritious and delicious, but the tetrodotoxin (TTX) that may exist in its body poses a serious safety hazard. It is important to use scientific and effective methods to detect the TTX in pufferfish, but most of the existing methods require complex pre-treatment steps and have sample lethality. The solid-phase microextraction (SPME) technology can be used for in vivo detection due to its advantages such as no solvent demand, simple operation, and fast detection speed. In this study, the GO-PAN@PNE SPME fibers were made via a dipping method, and their extraction effect was verified in the TTX aqueous and spiked fish. The established method has good reproducibility, and the limit of detection of TTX in pufferfish was 32 ng·g−1, and the limit of quantitation was 150 ng·g−1, which can meet the detection needs of pufferfish for safe consumption. This method was used to in vivo detect the Takifugu obscurus exposed to the TTX, to determine the content of TTX in the pufferfish muscle. The detection method established in this study can relatively quickly and easily realize the in vivo detection of TTX in the pufferfish, which can provide theoretical support for improvement in the food safety level of the pufferfish.
Machine Learning for Evaluating the Cytotoxicity of Mixtures of Nano-TiO2 and Heavy Metals: QSAR Model Apply Random Forest Algorithm after Clustering Analysis
Authors: Sang Leqi , Wang Yunlin , Zong Cheng , Wang Pengfei , Zhang Huazhong , Guo Dan , Yuan Beilei , Pan Yong
Published: September 2022

With the development and application of nanomaterials, their impact on the environment and organisms has attracted attention. As a common nanomaterial, nano-titanium dioxide (nano-TiO2) has adsorption properties to heavy metals in the environment. Quantitative structure-activity relationship (QSAR) is often used to predict the cytotoxicity of a single substance. However, there is little research on the toxicity of interaction between nanomaterials and other substances. In this study, we exposed human renal cortex proximal tubule epithelial (HK-2) cells to mixtures of eight heavy metals with nano-TiO2, measured absorbance values by CCK-8, and calculated cell viability. PLS and two ensemble learning algorithms are used to build multiple QSAR models for data sets, and the test set R2 is increased from 0.38 to 0.78 and 0.85, and RMSE is decreased from 0.18 to 0.12 and 0.10. After selecting the better random forest algorithm, the K-means clustering algorithm is used to continue to optimize the model, increasing the test set R2 to 0.95 and decreasing the RMSE to 0.08 and 0.06. As a reliable machine algorithm, random forest can be used to predict the toxicity of the mixture of nano-metal oxides and heavy metals. The cluster analysis can effectively improve the stability and predictability of the model, and provide a new idea for the prediction of cytotoxicity model in the future.
Identification of SARS-CoV-2 Main Protease Inhibitors from a Library of Minor Cannabinoids by Biochemical Inhibition Assay and Surface Plasmon Resonance Characterized Binding Affinity
Authors: Liu Chang , Puopolo Tess , Li Huifang , Cai Ang , Seeram Navindra P. , Ma Hang
Published: September 2022

The replication of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is mediated by its main protease (Mpro), which is a plausible therapeutic target for coronavirus disease 2019 (COVID-19). Although numerous in silico studies reported the potential inhibitory effects of natural products including cannabis and cannabinoids on SARS-CoV-2 Mpro, their anti-Mpro activities are not well validated by biological experimental data. Herein, a library of minor cannabinoids belonging to several chemotypes including tetrahydrocannabinols, cannabidiols, cannabigerols, cannabichromenes, cannabinodiols, cannabicyclols, cannabinols, and cannabitriols was evaluated for their anti-Mpro activity using a biochemical assay. Additionally, the binding affinities and molecular interactions between the active cannabinoids and the Mpro protein were studied by a biophysical technique (surface plasmon resonance; SPR) and molecular docking, respectively. Cannabinoids tetrahydrocannabutol and cannabigerolic acid were the most active Mpro inhibitors (IC50 = 3.62 and 14.40 μM, respectively) and cannabigerolic acid had a binding affinity KD=2.16×10−4 M). A preliminary structure and activity relationship study revealed that the anti-Mpro effects of cannabinoids were influenced by the decarboxylation of cannabinoids and the length of cannabinoids’ alkyl side chain. Findings from the biochemical, biophysical, and computational assays support the growing evidence of cannabinoids’ inhibitory effects on SARS-CoV-2 Mpro.
New Insights into Thermodynamics of Solutes in Neat and Complex Solvents
Authors: Cysewski Piotr , Jeliński Tomasz , Przybyłek Maciej
Published: September 2022

Solubility is one of the most important physicochemical properties, both from a practical and theoretical perspective [...]
Molecular Dynamics Study of Structural and Transport Properties of Silver Iodide Using Effective Charges
Authors: Peña Lara Diego , Correa Hernando , Diosa Jesús Evelio
Published: September 2022

The superionic conductor, solid state, and body-centered cubic structure, silver iodide at room temperature, has been studied via molecular dynamics simulations. The calculated results using pairwise Coulomb-Buckingham potential, zero pressure on the sample, a semi-rigid model system of 1000 Ag and 1000 I ions, (NVE) as a statistical ensemble, and an effective charge of Z=0.63 for the pairs Ag-Ag and I-I, were found to be consistent with experimental data and one study using Z=0.60, different potential, and simulation software. For the pair Ag-I, there is a discrepancy due to the high silver ion diffusion. The calculated value of the diffusion constant of the silver ion is greater than iodide ion. The dynamic transport properties (mean square displacement, velocity autocorrelation function) results indicated typical behavior reported by other authors, using different potentials in their DM simulations for iodine and silver ions.
Design, Synthesis and Bioactivity of Novel Low Bee-Toxicity Compounds Based on Flupyrimin
Authors: Lu Xingxing , Xu Huan , Zhang Xiaoming , Sun Tengda , Lin Yufan , Zhang Yongheng , Li Honghong , Li Xuesheng , Yang Xinling , Duan Hongxia , Ling Yun
Published: September 2022

Neonicotinoids are important insecticides for controlling aphids in agriculture. Growing research suggested that neonicotinoid insecticides are a key factor causing the decline of global pollinator insects, such as bees. Flupyrimin (FLP) is a novel nicotinic insecticide with unique biological properties and no cross-resistance, and is safe for pollinators. Using FLP as the lead compound, a series of novel compounds were designed and synthesized by replacing the amide fragment with a sulfonamideone. Their structures were confirmed by 1H NMR, 13C NMR and HRMS spectra. Bioassay results showed that compound 2j had good insecticidal activity against Aphis glycines with an LC50 value of 20.93 mg/L. Meanwhile, compound 2j showed significantly lower acute oral and contact toxicity to Apis mellifera. In addition, compound 2j interacted well with the protein in insect acetylcholine binding protein (AChBP). The molecular docking on honeybee nicotinic acetylcholine receptor (nAChR) indicated that the sulfonamide group of compound 2j did not form a hydrogen bond with Arg173 of the β subunit, which conforms to the reported low bee-toxicity conformation. In general, target compound 2j can be regarded as a bee-friendly insecticide candidate.
Evaluation of the Chemical Composition, Bioactive Substance, Gas Production, and Rumen Fermentation Parameters of Four Types of Distiller’s Grains
Authors: Lu Qi , Luo Qingyuan , Li Jiaxuan , Wang Xu , Ban Chao , Qin Jixiao , Tian Yayuan , Tian Xingzhou , Chen Xiang
Published: September 2022

Distiller’s grain is rich in natural active ingredients and can be used as an excellent antioxidant feed for goats. The current study aimed to assess the feeding value of four different types of distiller’s grains with an in vitro gas production trial. The chemical composition, total phenols, total anthocyanins, dry matter degradability, methane, hydrogen, and rumen fermentation parameters were evaluated. The results indicated that red distiller’s grain and glutinous rice distiller’s grain had higher (p < 0.05) levels of crude protein than the other two types. There were significantly (p < 0.05) higher concentrations of dry matter, ether extract, hemicellulose, and total carbohydrate in corn distiller’s grain than in the other three types of distiller’s grain. In addition, red distiller’s grain showed a higher (p < 0.05) gas production rate constant (c) and ruminal outflow rate, as well as higher (p < 0.05) concentrations of total phenol, total anthocyanins and 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging activity, than the other three types of distiller’s grains. In contrast, red distiller’s grain displayed the lowest (p < 0.05) immediately soluble fraction (a) and half the time of maximum gas production relative to the other samples. In particular, the levels of methane (%) in white distiller’s grain and glutinous rice distiller’s grain were greater (p < 0.05) than that in red distiller’s grain. Moreover, the ammonia nitrogen content in red distiller’s grain was greater (p < 0.05) than that in white distiller’s grain and corn distiller’s grain. In contrast, red distiller’s grain exhibited a lower (p < 0.05) level of ruminal fluid acetic acid relative to that found in white distiller’s grain and corn distiller’s grain. Taken together, the results showed that red distiller’s grain and glutinous rice distiller’s grain could be used as protein feed, red distiller’s grain had higher levels of total phenols and total anthocyanins and a high DPPH scavenging activity; corn distiller’s grain might be considered as an alternative energy source feed, and white distiller’s grain exhibited higher total gas production.
Graph Neural Network for Protein–Protein Interaction Prediction: A Comparative Study
Authors: Zhou Hang , Wang Weikun , Jin Jiayun , Zheng Zengwei , Zhou Binbin
Published: September 2022

Proteins are the fundamental biological macromolecules which underline practically all biological activities. Protein–protein interactions (PPIs), as they are known, are how proteins interact with other proteins in their environment to perform biological functions. Understanding PPIs reveals how cells behave and operate, such as the antigen recognition and signal transduction in the immune system. In the past decades, many computational methods have been developed to predict PPIs automatically, requiring less time and resources than experimental techniques. In this paper, we present a comparative study of various graph neural networks for protein–protein interaction prediction. Five network models are analyzed and compared, including neural networks (NN), graph convolutional neural networks (GCN), graph attention networks (GAT), hyperbolic neural networks (HNN), and hyperbolic graph convolutions (HGCN). By utilizing the protein sequence information, all of these models can predict the interaction between proteins. Fourteen PPI datasets are extracted and utilized to compare the prediction performance of all these methods. The experimental results show that hyperbolic graph neural networks tend to have a better performance than the other methods on the protein-related datasets.
Efficient Removal of Cr(VI) Ions in Petrochemical Wastewater Using Fe3O4@Saccharomyces cerevisiae Magnetic Nanocomposite
Authors: Long Wei , Chen Zhilong , Shi Jie , Yang Shilin
Published: September 2022

Saccharomyces cerevisiae (SC) is a widely available biobased source for function material. In this work, a kind of new efficient magnetic composite adsorbent containing Fe3O4 and SC was prepared successfully and used for the removal of Cr(VI) ions in petrochemical wastewater. The morphology and structure of this magnetic adsorbent were characterized with FT-IR, TG, XRD, VSM, SEM and XPS. The effect of the different factors such as pH, adsorption time, initial Cr(VI) ions concentration and adsorption temperature on the adsorption behavior were investigated. The results showed that 10%-Fe3O4@SC exhibited high removal rate, reutilization and large removal capacity. The corresponding removal capacity and removal rate could reach 128.03 mg/g and 96.02% when the pH value was 2, adsorption time was 180 min, and initial Cr(VI) ions concentration were 80 mg/L at 298 K. The kinetics followed the pseudo-first-order, which indicated that the adsorption behavior of 10%-Fe3O4@SC for Cr(VI) ions belonged to the physical adsorption and chemical adsorption co-existence. The thermodynamic study showed that the adsorption process was spontaneous and exothermic. It still showed better adsorption performance and reutilization after the fifth adsorption-desorption experiment. The possible mechanism of Cr(VI) ions adsorption onto the 10%-Fe3O4@SC magnetic adsorbent has been discussed. Hence, this new adsorbent will be a candidate for industry-level applications in petrochemical wastewater containing Cr(VI) ions.
High-Energy Ball Milling for High Productivity of Nanobiochar from Oil Palm Biomass
Authors: Ng Lawrence Yee Foong , Ariffin Hidayah , Yasim-Anuar Tengku Arisyah Tengku , Farid Mohammed Abdillah Ahmad , Hassan Mohd Ali
Published: September 2022

The current production method of nanobiochar (NBC), an emerging, environmentally friendly nanocarbon material, is tedious and lengthy. Therefore, in this study we aimed to improve the productivity of NBC via high-energy ball milling by manipulating the grinding media and processing time. The particle size distribution of the resulting NBC measured using dynamic light scattering showed that grinding media with steel balls of different sizes were more effective at producing NBC than small uniform steel balls, which failed to produce NBC even after 90 min of milling. Average NBC particles of around 95 nm were achieved after only 30 min of ball milling, and the size was further reduced to about 30 nm when the milling was prolonged to 150 min. Further prolonging the milling duration led to agglomeration, which increased the size of the biochar nanoparticles. The thermogravimetric analysis (TGA) data showed that the duration of milling and particle size did not cause noticeable differences in the thermal stability of the NBC. Based on the FTIR analysis, the chemical structure of the NBC was not affected by the ball milling. The results showed that 60 min of high-energy ball milling is sufficient to produce NBC particles of 75 nm, with a large surface area and high thermal stability. This could prove beneficial in a myriad of applications, ranging from agriculture to composite fabrication.
Diagnosis of Food Protein-Induced Enteropathy Based on Gastrointestinal Mucosal Pathology before and after Elimination Diet Therapy: A Case Report
Authors: Kakiuchi Toshihiko , Furukawa Rie
Published: September 2022

We describe the case of a 1-year-old girl with food protein-induced enteropathy (FPE) that was difficult to diagnose. She was referred to our hospital with a 3-month history of diarrhea, vomiting, and weight loss. Although her diarrhea improved after a few days of fasting, oral intake of elemental diets, formula milk, or rice porridge resulted in repeated relapses. The serum IgE level was 1028 IU/mL, and radioallergosorbent tests were positive for milk, casein, alpha-lactalbumin, and other allergens. A histopathology of the duodenal mucosa revealed loss of mucosal villous structure, crypt hyperplasia, crypt apoptosis, and lymphocyte and eosinophil infiltration (<20 eos/hpf) into the lamina propria. After prednisolone (PSL) therapy and the complete removal of cows’ milk and chicken eggs from her diet, the patient’s diarrhea disappeared. Five months after discontinuing oral PSL and complete removal of cows’ milk and chicken eggs, the duodenum exhibited normal mucosal villous structure and well-differentiated ducts. No abnormalities were observed in the egg rechallenge; however, diarrhea recurred after the cows’ milk rechallenge. Thus, histopathologic examination of the gastrointestinal mucosa is useful for diagnosing FPE similar to oral food challenges, and re-evaluation after elimination diet therapy may be beneficial to rule out other diseases.
Albumin-Mediated Size Exclusion Chromatography: The Apparent Molecular Weight of PSMA Radioligands as Novel Parameter to Estimate Their Blood Clearance Kinetics
Authors: Kunert Jan-Philip , Fischer Sebastian , Wurzer Alexander , Wester Hans-Jürgen
Published: September 2022

A meticulously adjusted pharmacokinetic profile and especially fine-tuned blood clearance kinetics are key characteristics of therapeutic radiopharmaceuticals. We, therefore, aimed to develop a method that allowed the estimation of blood clearance kinetics in vitro. For this purpose, 177Lu-labeled PSMA radioligands were subjected to a SEC column with human serum albumin (HSA) dissolved in a mobile phase. The HSA-mediated retention time of each PSMA ligand generated by this novel ‘albumin-mediated size exclusion chromatography’ (AMSEC) was converted to a ligand-specific apparent molecular weight (MWapp), and a normalization accounting for unspecific interactions between individual radioligands and the SEC column matrix was applied. The resulting normalized MWapp,norm. could serve to estimate the blood clearance of renally excreted radioligands by means of their influence on the highly size-selective process of glomerular filtration (GF). Based on the correlation between MW and the glomerular sieving coefficients (GSCs) of a set of plasma proteins, GSCcalc values were calculated to assess the relative differences in the expected GF/blood clearance kinetics in vivo and to select lead candidates among the evaluated radioligands. Significant differences in the MWapp,norm. and GSCcalc values, even for stereoisomers, were found, indicating that AMSEC might be a valuable and high-resolution tool for the preclinical selection of therapeutic lead compounds for clinical translation.
Sustainable Extraction, Chemical Profile, Cytotoxic and Antileishmanial Activities In-Vitro of Some Citrus Species Leaves Essential Oils
Authors: Bouabdallah Salwa , Cianfaglione Kevin , Azzouz Myriam , Batiha Gaber El-Saber , Alkhuriji Afrah Fahad , Al-Megrin Wafa Abdullah I. , Ben-Attia Mossadok , Eldahshan Omayma A.
Published: September 2022

Anti-leishmanial drugs extracted from natural sources have not been sufficiently explored in the literature. Until now, leishmaniasis treatments have been limited to synthetic and expensive drugs. This study investigated, for the first time, the anti-leishmanial efficacy of essential oils (EOs) from the leaves of Citrus species (C. sinensis, C. limon, and C. clementina). Essential oils were extracted from three species by solvent free microwave extraction (SFME); in addition, lemon oil was also isolated by hydro-distillation (HD). These were investigated using gas chromatography coupled with mass spectrometry (GC–MS) and evaluated against Leishmania species, namely Leishmania major and Leishmania infantum, using a mitochondrial tetrazolium test (MTT) assay. The chemical compositions of Citrus limon EOs obtained by HD and SFME showed some differences. The identified peaks of C. limon (SFME) represented 93.96%, where linalool was the major peak (44.21%), followed by sabinene (14.22%) and ocimene (6.09%). While the hydro-distilled oil of C. limon contained geranial (30.08%), limonene (27.09%), and neral (22.87%) in the identified peaks (96.67%). The identified components of C. clementina leaves oil (68.54%) showed twenty-six compounds, where the predominant compound was geranial (42.40%), followed by neral (26.79%) and limonene (14.48%). However, 89.82% C. sinensis oil was identified, where the major peaks were for neral (27.52%), linalool (25.83%), and geranial (23.44%). HD oil of lemon showed the highest activity against L. major, with moderate toxicity on murine macrophage (RAW 264.7) cells, and possessed the best selectivity index on both Leishmanial species (SI: 3.68; 6.38), followed by C. clementina oil and C. limon using SFME (0.9 ± 0.29, 1.03 ± 0.27, and 1.13 ± 0.3), respectively. C. clementina oil induced the greatest activity on Leishmania infantum, followed by HD lemon and SFME lemon oils (0.32 ± 0.18, 0.52 ± 0.15, and 0.57 ± 0.09, respectively) when compared to Amphotericin B (0.80 ± 0.18 and 0.23 ± 0.13) as a positive control, on both species, respectively. Our study suggests a potent anti-leishmanial activity of lemon oil (HD) on L. major, followed by C. clementina. With the same potency on L. infantum shown by C. clementina oil, followed by HD lemon oil. This effect could be attributed to the major compounds of limonene, citral, and neral, as well as the synergistic effect of other different compounds. These observations could be a starting point for the building of new anti-leishmanial drugs from natural origins, and which combine different EOs containing Citrus cultivars.
Application of DFT Calculations in Designing Polymer-Based Drug Delivery Systems: An Overview
Authors: Adekoya Oluwasegun Chijioke , Adekoya Gbolahan Joseph , Sadiku Emmanuel Rotimi , Hamam Yskandar , Ray Suprakas Sinha
Published: September 2022

Drug delivery systems transfer medications to target locations throughout the body. These systems are often made up of biodegradable and bioabsorbable polymers acting as delivery components. The introduction of density functional theory (DFT) has tremendously aided the application of computational material science in the design and development of drug delivery materials. The use of DFT and other computational approaches avoids time-consuming empirical processes. Therefore, this review explored how the DFT computation may be utilized to explain some of the features of polymer-based drug delivery systems. First, we went through the key aspects of DFT and provided some context. Then we looked at the essential characteristics of a polymer-based drug delivery system that DFT simulations could predict. We observed that the Gaussian software had been extensively employed by researchers, particularly with the B3LYP functional and 6-31G(d, p) basic sets for polymer-based drug delivery systems. However, to give researchers a choice of basis set for modelling complicated organic systems, such as polymer–drug complexes, we then offered possible resources and presented the future trend.
Antimicrobial Peptides and Biomarkers Induced by Ultraviolet Irradiation Have the Potential to Reduce Endodontic Inflammation and Facilitate Tissue Healing
Authors: Morio Kimberly A. , Sternowski Robert H. , Zeng Erliang , Brogden Kim A.
Published: September 2022

Background: Ultraviolet (UV) irradiation can modulate host immune responses and this approach is a novel application for treating endodontic infections and inflammation in root canals. Methods: A dataset of UV-induced molecules was compiled from a literature search. A subset of this dataset was used to calculate expression log2 ratios of endodontic tissue molecules from HEPM cells and gingival fibroblasts after 255, 405, and 255/405 nm UV irradiation. Both datasets were analyzed using ingenuity pathway analysis (IPA, Qiagen, Germantown, MD, USA). Statistical significance was calculated using Fisher’s exact test and z-scores were calculated for IPA comparison analysis. Results: The dataset of 32 UV-induced molecules contained 9 antimicrobial peptides, 10 cytokines, 6 growth factors, 3 enzymes, 2 transmembrane receptors, and 2 transcription regulators. These molecules were in the IPA canonical pathway annotations for the wound healing signaling pathway (9/32, p = 3.22 × 10−11) and communication between immune cells (6/32, p = 8.74 × 10−11). In the IPA disease and function annotations, the 32 molecules were associated with an antimicrobial response, cell-to-cell signaling and interaction, cellular movement, hematological system development and function, immune cell trafficking, and inflammatory response. In IPA comparison analysis of the 13 molecules, the predicted activation or inhibition of pathways depended upon the cell type exposed, the wavelength of the UV irradiation used, and the time after exposure. Conclusions: UV irradiation activates and inhibits cellular pathways and immune functions. These results suggested that UV irradiation can activate innate and adaptive immune responses, which may supplement endodontic procedures to reduce infection, inflammation, and pain and assist tissues to heal.
Experimental Proof-of-Concept of a Spatial Photonic Switch Based on an Off-Axis Zone Plate in Millimeter Wavelength Range
Authors: Paulish Andrey G. , Minin Oleg V. , Geints Yuri E. , Minin Igor V.
Published: September 2022

Optical switches are key elements in modern network communications. We present the results of the experimental verification of a new theoretical concept proposed earlier for a full-optical wavelength-selective dual-channel switch based on the photonic hook effect, which is free from using any micro-mechanical devices or nonlinear materials. A large-scale laboratory prototype of such a device based on an off-axis Wood zone plate is considered, and its main parameters in the millimeter wavelength range are investigated. On the basis of the experiments, we show that the optical isolation of switched channels for a switch based on an off-axis zone plate can achieve 15 dB at a frequency difference of 25 GHz in a frequency range of 93 to 136 GHz. Given the scaling, these results can be transferred to another range, including the optical one.
Kinetics of Pectin Biopolymer Facial Erosion Characterized by Fluorescent Tracer Microfluidics
Authors: Liao Matthew W. , Liu Betty S. , Sutlive Joseph , Wagner Willi L. , Khalil Hassan A. , Chen Zi , Ackermann Maximilian , Mentzer Steven J.
Published: September 2022

Pectin is a plant-derived heteropolysaccharide that has been implicated in drug development, tissue engineering, and visceral organ repair. Pectin demonstrates remarkable biostability in a variety of physiologic environments but is biodegradable in water. To understand the dynamics of pectin biodegradation in basic environments, we developed a microfluidics system that facilitated the quantitative comparison of pectin films exposed to facial erosion. Pectin biodegradation was assessed using fluorescein tracer embedded in pectin, trypan blue quenching of released fluorescence, and highly sensitive microfluorimetry. The microfluidic perfusate, delivered through 6 um-pore synthetic membrane interface, demonstrated nonlinear erosion of the pectin film; 75% of tracer was released in 28 h. The microfluidics system was used to identify potential modifiers of pectin erosion. The polyphenolic compound tannic acid, loaded into citrus pectin films, demonstrated a dose-dependent decrease in pectin erosion. Tannic acid had no detectable impact on the physical properties of citrus pectin including adhesivity and cohesion. In contrast, tannic acid weakened the burst strength and cohesion of pectins derived from soy bean and potato sources. We conclude that facial erosion may explain the biostability of citrus pectin on visceral organ surfaces as well as provide a useful method for identifying modifiers of citrus pectin biodegradation.
Potential Use of Grape Stems and Pomaces from Two Red Grapevine Cultivars as Source of Oligosaccharides
Authors: Mangione Roberta , Simões Rita , Pereira Helena , Catarino Sofia , Ricardo-da-Silva Jorge , Miranda Isabel , Ferreira-Dias Suzana
Published: September 2022

Grape pomace (grape skin and seeds) and stems are major by-products of winemaking, of lignocellulosic nature. The aim of this study was to value grape pomace and stems to produce prebiotic oligosaccharides (OS). Grapes from Touriga Nacional and Marselan cultivars (Vitis vinifera L.) were used for conventional red winemaking. The total of extractives, obtained by sequential extraction with dichloromethane, ethanol, and water, was approx. 64.0% (d.w.) for both pomaces, and 46.2% and 59.5% for Marselan and Touriga Nacional stems, respectively. Lignin contents in Marselan stems (26.4%) and pomace (20.4%) were higher than in Touriga Nacional pomace (19.3%) or stems (17.3%). Polysaccharides (hemicelluloses and cellulose) represented 9 and 8.2% of Marselan and Touriga pomaces, and 22.3 and 18.7% of respective stems. After extractives removal, the pomaces and stems were submitted to a hydrothermal treatment (autohydrolysis) to release oligosaccharides from the hemicellulose fraction. Autohydrolysis was carried out following a central composite rotatable design (CCRD) as a function of temperature (142–198 °C) and time (48–132 min). For all materials of both varieties, the production of sugars by autohydrolysis could be described by second-order models. Highest sugar productions were: 81.2 g/kg (d.w.) extracted Marselan pomace; 76.3 g/kg (d.w.) extracted Touriga Nacional pomace; 116.3 g/kg (d.w.) extracted Marselan stems; and 168.4 g/kg (d.w.) extracted Touriga Nacional stems. Yields of 99% OS were obtained by autohydrolysis at 170 °C/90 min.
Link Ecological and Social Composite Systems to Construct Sustainable Landscape Patterns: A New Framework Based on Ecosystem Service Flows
Authors: Cui Shixi , Han Zenglin , Yan Xiaolu , Li Xiuzhen , Zhao Wenzhen , Liu Chenghao , Li Xinyuan , Zhong Jingqiu
Published: September 2022

Integrating the flow of supply and demand of ecosystem services (ESs) into the ecological security pattern (ESP) of coastal ecosystems with extremely fragile ecological backgrounds and contradictory human–land relationships is beneficial to the coordinated development of human–land systems. However, existing studies ignore the issue of scales of supply–demand linkages, making the ESP not properly guide sustainable development. Based on ESs delivery chain theory and landscape ecology approaches, we developed a sustainable development framework consisting of coupled microscopic natural–social systems. The method was tested using data from the Liao River Delta. In this study area, the natural supply potential and demand mapping distribution of key ESs were assessed to identify ecological sources in the Liao River Delta, a typical coastal zone in northern China. The resistance surface based on land use type assignment was modified using hydrological connectivity frequency and nighttime light intensity. Ecological corridors were extracted and optimized using a minimum cumulative resistance model and connectivity evaluation. The study found that the high supply area and the high demand reflection area are not consistent in location and supply level. Ecological source areas are evenly distributed, accounting for 12% of the total area. The ecological corridors are mainly concentrated in the west and southeast and do not cross the built-up areas in the east. This ESP framework safeguards the local demand for natural products and the natural potential to maintain services over the longer term and to a larger scale while informing the development of environmental management measures.
An Automatic Individual Tree 3D Change Detection Method for Allometric Parameters Estimation in Mixed Uneven-Aged Forest Stands from ALS Data
Authors: Spadavecchia Claudio , Belcore Elena , Piras Marco , Kobal Milan
Published: September 2022

Forests play a central role in the management of the Earth’s climate. Airborne laser scanning (ALS) technologies facilitate the monitoring of large and impassable areas and can be used to monitor the 3D structure of forests. While the ALS-based forest measures have been studied in depth, 3D change detection in forests is still a subject of little attention in the literature due to the challenges introduced by comparing point cloud pairs. In this study, we propose an innovative methodology to (i) automatically perform a 3D change detection of forests on an individual tree level; (ii) estimate tree parameters with allometric equations; and (iii) perform an assessment of the aboveground biomass (AGB) variation over time. The area in which the tests were carried out was hit by an ice storm that occurred in the time interval between the two LiDAR acquisitions; furthermore, field measurements were carried out and used to validate the results. The single-tree segmentation of the point clouds was automatically performed with a local maxima algorithm to detect the treetop, and a decision tree method to define the individual crowns around the local maxima. The multitemporal comparison of the point clouds was based on the identification of single trees, which were matched when there was a correlation between the position of the treetops. For each tree, the DBH (diameter at breast height) and the AGB were also estimated using allometric equations. The results are promising and allowed us to identify the uprooted trees and estimate that about 40% of the AGB of the area under examination had been destroyed, with an RMSE over the estimation ranging between 4% and 21% in four scenarios.
Water Levels in the Major Reservoirs of the Nile River Basin—A Comparison of SENTINEL with Satellite Altimetry Data
Authors: Kansara Prakrut , Lakshmi Venkataraman
Published: September 2022

With the increasing number of reservoirs on the Nile River Basin, it has become important to understand the reservoir operations in the basin for coordinated water management among the various countries. With the lack of a proper framework for data sharing amongst the Nile basin countries, satellite remote sensing provides a simple transparent way to continuously monitor the changes taking place in reservoirs in all regions of the Nile River Basin. This paper presents a comparison between Sentinel-1- and Sentinel-2-derived reservoir water levels and the altimetry-based water level from G-REALM (Global Reservoirs and Lakes Monitor) for three major reservoirs downstream of the Millennium Reservoir impounded by the Grand Ethiopian Renaissance Dam (GERD) on the Nile River for the period of 2014–2021. Water surface extents were derived from Sentinel-1 using dynamic thresholds and from Sentinel-2 with the use of the NDWI (Normalized Difference Water Index). The water levels were estimated using a DEM-based contour matching technique. For Roseires Reservoir, the water levels from Sentinel agreed well with those from G-REALM (RMSE = 0.92 m; R2 = 0.82). For Lake Nasser, the water levels also agreed well (RMSE = 0.72 m; R2 = 0.85). For Lake Merowe, there was a significant mismatch in the derived water levels, mostly due to a lack of sufficient data from both sources. Overall, satellite imagery from Sentinel provides a very good alternative to altimetry-based water levels for the Nile River Basin.