bluuebunny/crossref_metadata_2025 huggingface dataset:
Feasibility Study on Deposition of Tribaloy T800 on Cobalt-Based L605 Using Micro-Laser-Aided Additive Manufacturing
Authors: Cao Lichao , Zhang Li , Bi Guijun
Published: March 2022

In this study, deposition of Tribaloy T800 on cobalt-based L605 substrate using micro-laser-aided additive manufacturing (micro-LAAM) was explored. The micro-LAAM process was studied to achieve sound integrity of the deposited layer. The microhardness and microstructure of the deposited Tribaloy T800 layer were investigated. The results showed that the developed micro-LAAM process can achieve single-layer crack-free deposition of Tribaloy T800 onto cobalt-based L605 without pre-heating of the substrate. Surface roughness of Ra 8 μm was obtained, indicating that micro-LAAM can significantly improve the surface quality. Very high microhardness in the range of 818 to 1000 Hv was achieved. Cellular grains with very fine dendritic microstructure and Laves phase were observed in the deposited Tribaloy T800, which contributed to the high hardness. With all the results obtained, it can be concluded that it is feasible to deposit Tribaloy T800 on L605 substrate with micro-LAAM to achieve sound integrity and high hardness.
Exploration on the Effect of Pretreatment Conditions on Hydrogen-Induced Defects in Pure Titanium by Positron Annihilation Spectroscopy
Authors: Jian Shichao , An Xudong , Wang Qianqian , Zhu Te , Wan Mingpan , Zhang Peng , Ye Fengjiao , Song Yamin , Wang Baoyi , Cao Xingzhong
Published: March 2022

Electrolytic hydrogen charging experiments on cold-deformed and well-annealed (annealing at 700 °C for 2 h) pure titanium samples were carried out, respectively. Positron annihilation spectroscopy and X-ray diffraction were used to characterize all experimental samples to explore the formation of vacancy defects and the storage form of hydrogen in pure titanium after charging. Results showed that hydrides formed in well-annealed samples after electrolytic hydrogen charging, but a new phase in the cold-deformed samples was not observed. The annealed samples formed vacancy-type defects in the process of electrolytic hydrogen charging, and the excess hydrogen atoms were easily trapped by vacancies to form a hydrogen vacancy complex (HmVn). The defects formed in the cold-deformed hindered the diffusion of hydrogen atoms and inhibited the formation of vacancies. Compared with the well-annealed electrolytic hydrogen charging samples, the S parameters of the deformed electrolytic hydrogen charging samples hardly changed. The coincidence Doppler broadening spectrum results showed that wide peaks related to hydrogen vacancy complexes were found in electrolytic hydrogen charging samples. The formation of hydride in titanium affected the positron annihilation environment in the low-momentum region. The hydride-related peak was observed only in the electrolytic hydrogen-charged samples after being well annealed.
Evolution Behavior and Closure Mechanism of Porosity in Large Billet during the Reduction Pretreatment
Authors: Liu Yang , Liu Jianhua , He Yang
Published: March 2022

The reduction pretreatment process was proposed to be applied to large billets for the purpose of alleviating the center porosities and reducing the rolling ratio. This study focused on the evolution behavior and closure mechanism of porosity in a large billet during reduction pretreatment. The porosities were characterized by ultrasonic scanning and 3D reconstruction. The results showed that the porosities near the surface of the billet were firstly closed during the reduction pretreatment. The reduction began to effectively act on the center of the billet at the deformation of 0.16. When the reduction amount increased to 0.20–0.22, both the pore number and the porosity degree at the center of the billet were the smallest. As the deformation exceeded 0.25, the porosities gathered at the center of the billet, which may have caused larger defects. A numerical model for the reduction pretreatment was established to analyze the evolution behavior of porosity. The simulation results showed that the position with the maximum of strain moved toward the center of the billet as the reduction amount increased. At the position where the deformation was 0.20, the deformation would readily occur at the center, and the center strain was almost twice as much as the surface strain. The upper and lower surfaces of porosity were compressed to the center of the porosity in the thickness direction. The two ends of porosity were not stretched in the rolling direction. The closure index indicated that the deformation penetrated into the center would accelerate the deformation of porosity. The cross-sectional area of the porosity gradually decreased with the increase in the hydrostatic integration, which indicated that the hydrostatic integration could be used to assess the closure degree of porosity during the reduction pretreatment process. Both the closure index and the hydrostatic integration proved the effective role of the reduction pretreatment in the alleviation of porosity.
Antisolvent Precipitation for Metal Recovery from Citric Acid Solution in Recycling of NMC Cathode Materials
Authors: Xuan Wen , Chagnes Alexandre , Xiao Xiong , Olsson Richard T. , Forsberg Kerstin
Published: April 2022

Lithium-ion batteries (LIBs) are widely used everywhere today, and their recycling is very important. This paper addresses the recovery of metals from NMC111 (LiNi1/3Mn1/3Co1/3O2) cathodic materials by leaching followed by antisolvent precipitation. Ultrasound-assisted leaching of the cathodic material was performed in 1.5 mol L−1 citric acid at 50 °C and at a solid-to-liquid ratio of 20 g/L. Nickel(II), manganese(II) and cobalt(II) were precipitated from the leach liquor as citrates at 25 °C by adding an antisolvent (acetone or ethanol). No lithium(I) precipitation occurred under the experimental conditions, allowing for lithium separation. The precipitation efficiencies of manganese(II), cobalt(II) and nickel(II) decreased according to the order Mn > Co > Ni. The precipitation efficiency increased when a greater volume of antisolvent to the leachate was used. A smaller volume of acetone than ethanol was needed to reach the same precipitation efficiency in accordance with the difference in the dielectric constants of ethanol and acetone and their associated solubility constants. After adding two volumes of acetone into one volume of the leach liquor, 99.7% manganese, 97.0% cobalt and 86.9% nickel were recovered after 120 h, leaving lithium in the liquid phase. The metal citrates were converted into metal oxides by calcination at 900 °C.
A Review on Differential Abundance Analysis Methods for Mass Spectrometry-Based Metabolomic Data
Authors: Huang Zhengyan , Wang Chi
Published: March 2022

This review presents an overview of the statistical methods on differential abundance (DA) analysis for mass spectrometry (MS)-based metabolomic data. MS has been widely used for metabolomic abundance profiling in biological samples. The high-throughput data produced by MS often contain a large fraction of zero values caused by the absence of certain metabolites and the technical detection limits of MS. Various statistical methods have been developed to characterize the zero-inflated metabolomic data and perform DA analysis, ranging from simple tests to more complex models including parametric, semi-parametric, and non-parametric approaches. In this article, we discuss and compare DA analysis methods regarding their assumptions and statistical modeling techniques.
Serum Lipidome Signatures of Dogs with Different Endocrinopathies Associated with Hyperlipidemia
Authors: Sieber-Ruckstuhl Nadja S. , Tham Wai Kin , Baumgartner Franziska , Selva Jeremy John , Wenk Markus R. , Burla Bo , Boretti Felicitas S.
Published: March 2022

Hyperlipidemia (hypertriglyceridemia, hypercholesterolemia) is a common finding in human and veterinary patients with endocrinopathies (e.g., hypothyroidism and hypercortisolism (Cushing’s syndrome; CS)). Despite emerging use of lipidomics technology in medicine, the lipid profiles of these endocrinopathies have not been evaluated and characterized in dogs. The aim of this study was to compare the serum lipidomes of dogs with naturally occurring CS or hypothyroidism with those of healthy dogs. Serum samples from 39 dogs with CS, 45 dogs with hypothyroidism, and 10 healthy beagle dogs were analyzed using a targeted lipidomics approach with liquid chromatography-mass spectrometry. There were significant differences between the lipidomes of dogs with CS, hypothyroidism, and the healthy dogs. The most significant changes were found in the lysophosphatidylcholines, lysophosphatidylethanolamines, lysophosphatidylinositols, phosphatidylcholines, phosphatidylethanolamines, phosphatidylglycerols, ceramides, and sphingosine 1-phosphates. Lipid alterations were especially pronounced in dogs with hypothyroidism. Several changes suggested a more atherogenic lipid profile in dogs with HT than in dogs with CS. In this study, we found so far unknown effects of naturally occurring hypothyroidism and CS on lipid metabolism in dogs. Our findings provide starting points to further examine differences in occurrence of atherosclerotic lesion formation between the two diseases.
Amplified Drought and Seasonal Cycle Modulate Quercus pubescens Leaf Metabolome
Authors: Saunier Amélie , Greff Stéphane , Blande James D. , Lecareux Caroline , Baldy Virginie , Fernandez Catherine , Ormeño Elena
Published: March 2022

The intensification of summer drought expected with climate change can induce metabolism modifications in plants to face such constraints. In this experiment, we used both a targeted approach focused on flavonoids, as well as an untargeted approach, to study a broader fraction of the leaf metabolome of Quercus pubescens exposed to amplified drought. A forest site equipped with a rainfall exclusion device allowed reduction of natural rainfall by ~30% over the tree canopy. Leaves of natural drought (ND) and amplified drought (AD) plots were collected over three seasonal cycles (spring, summer, and autumn) in 2013 (the second year of rain exclusion), 2014, and 2015. As expected, Q. pubescens metabolome followed a seasonal course. In the summer of 2015, the leaf metabolome presented a shifted and early autumnal pattern because of harsher conditions during this year. Despite low metabolic modification at the global scale, our results demonstrated that 75% of Quercus metabolites were upregulated in springs when trees were exposed to AD, whereas 60 to 73% of metabolites (93% in summer 2015), such as kaempferols and quercetins, were downregulated in summers/autumns. Juglanin, a kaempferol pentoside, as well as rhododendrin derivatives, were upregulated throughout the year, suggesting an antioxidant ability of these metabolites. Those changes in terms of phenology and leaf chemistry could, in the end, affect the ecosystem functioning.
Measuring Shape Parameters of Pearls in Batches Using Machine Vision: A Case Study
Authors: Liu Xinying , Jin Shoufeng , Yang Zixuan , Królczyk Grzegorz , Li Zhixiong
Published: March 2022

To solve the problem of low precision of pearl shape parameters’ measurement caused by the mutual contact of batches of pearls and the error of shape sorting, a method of contacting pearls’ segmentation based on the pit detection was proposed. Multiple pearl images were obtained by backlit imaging, the quality of the pearl images was improved through appropriate preprocessing, and the contacted pearl area was extracted by calculating the area ratio of the connected domains. Then, the contour feature of the contact area was obtained by edge tracking to establish the mathematical model of the angles between the edge contour points. By judging the angle with a threshold of 60° as the candidate concave point, a concave point matching algorithm was introduced to get the true concave point, and the Euclidean distance was adopted as a metric function to achieve the segmentation of the tangent pearls. The pearl shape parameters’ model was established through the pearl contour image information, and the shape classification standard was constructed according to the national standard. Experimental results showed that the proposed method produced a better segmentation performance than the popular watershed algorithm and morphological algorithm. The segmentation accuracy was above 95%, the average loss rate was within 4%, and the sorting accuracy based on the shape information was 94%.
Glass Foam from Flat Glass Waste Produced by the Microwave Irradiation Technique
Authors: Ioana Adrian , Paunescu Lucian , Constantin Nicolae , Pollifroni Massimo , Deonise Dumitru , Petcu Florin Stefan
Published: March 2022

A glass foam with good thermal insulation characteristics (apparent density of 0.38 g/cm3, porosity of 81.9% and thermal conductivity of 0.089 W/m·K), high compressive strength (3.9 MPa) and a satisfactory microstructural homogeneity with pore size between 0.6–1.0 mm was obtained by sintering at 927 °C of flat glass waste, a glass waste usually not used in the manufacture of glass foam. The manufacturing recipe has been improved by the simultaneous use of two microwave susceptible foaming agents (SiC and Si3N4) and the addition of coal fly ash and an oxygen-supplying agent (MnO2). The originality of the work was the simultaneous use of the two foaming agents and also the application of the technique of predominantly direct microwave heating, compared to the conventional heating methods commonly used in the manufacture of glass foam. The remarkable energy efficiency of the microwave heating technique led to high average heating rates without affecting the structural homogeneity and very low specific energy consumption.
Single Microdroplet Breakup-Assisted Viscosity Measurement
Authors: Jang Yeongseok , Wee Hwabok , Oh Jonghyun , Jung Jinmu
Published: April 2022

Recently, with the development of biomedical fields, the viscosity of prepolymer fluids, such as hydrogels, has played an important role in determining the mechanical properties of the extracellular matrix (ECM) or being closely related to cell viability in ECM. The technology for measuring viscosity is also developing. Here, we describe a method that can measure the viscosity of a fluid with trace amounts of prepolymers based on a simple flow-focused microdroplet generator. We also propose an equation that could predict the viscosity of a fluid. The viscosity of the prepolymer was predicted by measuring and calculating various lengths of the disperse phase at the cross junction of two continuous-phase channels and one disperse-phase channel. Bioprepolymer alginates and gelatin methacryloyl (GelMA) were used to measure the viscosity at different concentrations in a microdroplet generator. The break-up length of the dispersed phase at the cross junction of the channel gradually increased with increasing flow rate and viscosity. Additional viscosity analysis was performed to validate the standard viscosity calculation formula depending on the measured length. The viscosity formula derived based on the length of the alginate prepolymer was applied to GelMA. At a continuous phase flow rate of 400 uL/h, the empirical formula of alginate showed an error within about 2%, which was shown to predict the viscosity very well in the viscometer. Results of this study are expected to be very useful for hydrogel tuning in biomedical and tissue regeneration fields by providing a technology that can measure the dynamic viscosity of various prepolymers in a microchannel with small amounts of sample.
Reflow Soldering Capability Improvement by Utilizing TaN Interfacial Layer in 1Mbit RRAM Chip
Authors: Yuan Peng , Dong Danian , Zheng Xu , Xing Guozhong , Xu Xiaoxin
Published: April 2022

We investigated the thermal stability of a 1Mbit OxRRAM array embedded in 28 nm COMS technology. A back-end-of-line (BEOL) solution with a TaN–Ta interfacial layer was proposed to eliminate the failure rate after reflow soldering assembly at 260 °C. By utilizing a TaN–Ta interfacial layer (IL), the oxygen defects in conductive filament were redistributed, and electromigration lifetimes of Cu-based damascene interconnects were improved, which contributed to optimization. This work provides a potential solution for the practical application of embedded RRAM beyond the 28 nm technology node.
Genomics-Based Reconstruction and Predictive Profiling of Amino Acid Biosynthesis in the Human Gut Microbiome
Authors: Ashniev German A. , Petrov Sergey N. , Iablokov Stanislav N. , Rodionov Dmitry A.
Published: March 2022

The human gut microbiota (HGM) have an impact on host health and disease. Amino acids are building blocks of proteins and peptides, also serving as precursors of many essential metabolites including nucleotides, cofactors, etc. Many HGM community members are unable to synthesize some amino acids (auxotrophs), while other members possess complete biosynthetic pathways for these nutrients (prototrophs). Metabolite exchange between auxotrophs and prototrophs affects microbial community structure. Previous studies of amino acid biosynthetic phenotypes were limited to model species or narrow taxonomic groups of bacteria. We analyzed over 2800 genomes representing 823 cultured HGM species with the aim to reconstruct biosynthetic pathways for proteinogenic amino acids. The genome context analysis of incomplete pathway variants allowed us to identify new potential enzyme variants in amino acid biosynthetic pathways. We further classified the studied organisms with respect to their pathway variants and inferred their prototrophic vs. auxotrophic phenotypes. A cross-species comparison was applied to assess the extent of conservation of the assigned phenotypes at distinct taxonomic levels. The obtained reference collection of binary metabolic phenotypes was used for predictive metabolic profiling of HGM samples from several large metagenomic datasets. The established approach for metabolic phenotype profiling will be useful for prediction of overall metabolic properties, interactions, and responses of HGM microbiomes as a function of dietary variations, dysbiosis and other perturbations.
Harnessing the Algal Chloroplast for Heterologous Protein Production
Authors: Cutolo Edoardo Andrea , Mandalà Giulia , Dall’Osto Luca , Bassi Roberto
Published: March 2022

Photosynthetic microbes are gaining increasing attention as heterologous hosts for the light-driven, low-cost production of high-value recombinant proteins. Recent advances in the manipulation of unicellular algal genomes offer the opportunity to establish engineered strains as safe and viable alternatives to conventional heterotrophic expression systems, including for their use in the feed, food, and biopharmaceutical industries. Due to the relatively small size of their genomes, algal chloroplasts are excellent targets for synthetic biology approaches, and are convenient subcellular sites for the compartmentalized accumulation and storage of products. Different classes of recombinant proteins, including enzymes and peptides with therapeutical applications, have been successfully expressed in the plastid of the model organism Chlamydomonas reinhardtii, and of a few other species, highlighting the emerging potential of transplastomic algal biotechnology. In this review, we provide a unified view on the state-of-the-art tools that are available to introduce protein-encoding transgenes in microalgal plastids, and discuss the main (bio)technological bottlenecks that still need to be addressed to develop robust and sustainable green cell biofactories.
Intestinal Alkaline Phosphatase: A Review of This Enzyme Role in the Intestinal Barrier Function
Authors: Santos Gilberto Maia , Ismael Shámila , Morais Juliana , Araújo João R. , Faria Ana , Calhau Conceição , Marques Cláudia
Published: March 2022

Intestinal alkaline phosphatase (IALP) has recently assumed a special relevance, being the subject of study in the prevention and treatment of certain diseases related to leaky gut. This brush border enzyme (ecto-enzyme) plays an important role in the maintenance of intestinal microbial homeostasis and intestinal barrier function through its ability to dephosphorylate lipopolysaccharide (LPS). This review addresses how IALP and intestinal barrier dysfunction may be implicated in the pathophysiology of specific diseases such as inflammatory bowel disease, necrotizing enterocolitis, and metabolic syndrome. The use of IALP as a possible biomarker to assess intestinal barrier function and strategies to modulate IALP activity are also discussed.
A Combination of Mediterranean and Low-FODMAP Diets for Managing IBS Symptoms? Ask Your Gut!
Authors: Kasti Arezina , Petsis Konstantinos , Lambrinou Sophia , Katsas Konstantinos , Nikolaki Maroulla , Papanikolaou Ioannis S. , Hatziagelaki Erifili , Triantafyllou Konstantinos
Published: March 2022

Among other factors, food intolerance is cardinal in triggering irritable bowel syndrome (IBS) symptoms in a significant percentage of patients. As a result, specific dietary patterns are the first-line therapeutic approach. The low-FODMAP diet (LFD) is gaining ground as the most well-documented diet intervention that significantly reduces IBS symptoms. Though the LFD improves symptoms, the diet’s impact on intestinal low-grade inflammation, one of the cardinal mechanisms contributing to symptom development, remains doubtful. On the other hand, the Mediterranean diet (MedDiet) is recommended for chronic low-grade inflammation-related diseases because of its anti-inflammatory properties, derived predominantly from olive oil and phenolic compounds. Thus far, the role of a modified LFD, enriched with the MedDiet’s anti-inflammatory components, has not been evaluated in IBS patients. This review aims to examine the hypothesis of a potential combination of the immunomodulatory effects of the MedDiet with the LFD to improve IBS symptoms.
KI and WU Polyomaviruses: Seroprevalence Study and DNA Prevalence in SARS-CoV-2 RNA Positive and Negative Respiratory Samples
Authors: Katona Melinda , Jeles Krisztina , Kovács Renátó , Csoma Eszter
Published: March 2022

The aim of this work was to study the possible co-infection of KI and WU polyomavirus (KIPyV and WUPyV, respectively) and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in respiratory samples and to detect the seroprevalence of KIPyV and WUPyV. A total of 1030 nasopharyngeal samples were analyzed from SARS-CoV-2 RNA positive (n = 680) and negative (n = 350) adults and children (age: 1 day to 94.2 years) collected from August 2020 to October 2021. KIPyV DNA was detected in two SARS-CoV-2-positive samples (2/680, 0.29%) and in three SARS-CoV-2-negative samples (3/350, 0.86%). WUPyV DNA was observed in one-one samples from both groups (1/680, 0.15% vs. 1/350, 0.29%). We did not find an association between SARS-CoV-2 and KIPyV or WUPyV infection, and we found low DNA prevalence of polyomaviruses studied after a long-term lockdown in Hungary. To exclude a geographically different distribution of these polyomaviruses, we studied the seroprevalence of KIPyV and WUPyV by enzyme-linked immunosorbent assay among children and adults (n = 692 for KIPyV and n = 705 for WUPyV). Our data confirmed that primary infections by KIPyV and WUPyV occur mainly during childhood; the overall seropositivity of adults was 93.7% and 89.2% for KIPyV and WUPyV, respectively. Based on our data, we suggest that the spread of KIPyV and WUPyV might have been restricted in Hungary by the lockdown.
Think Globally, Act Locally: Global Requirements and Local Transformation in Sugar Pots Manufacture in Sicily in the Medieval and Post-Medieval Periods
Authors: Mentesana Roberta , Hein Anno , Madrid i Fernàndez Marisol , Kilikoglou Vassilis , Buxeda i Garrigós Jaume
Published: March 2022

Since medieval times, sugar production and consumption has had a huge impact on European social, cultural, and economic development. The introduction of sugar cultivation entailed knowledge transfer and new technological requirements, such as the manufacture of sugar pots used to crystallise sugar, which requires a specific design, and thermal and mechanical properties. This paper presents part of the results of the SPotEU project, funded under the Marie Skłodowska-Curie Actions, which explores the development and impact of sugar production in western Europe through the study of sugar pot manufacture from an interdisciplinary perspective, integrating archaeological and historical research with material science and material culture approaches. This paper focuses on sugar pots from Sicily, one of the main regions for sugar production in Western Europe in the 11–16th centuries A.D. Sugar pots were assessed from technological and performance points of view, aided by instrumental analysis (petrography, SEM, XRF, XRD, mechanical, and thermal property tests). The archaeological and analytical results are presented, revealing different centres of sugar pot production on the island, and specific choices in the design of the vessels and their properties. This allows us to discuss how craftspeople locally adapted their ceramic-making traditions to face the new product demands from the sugar production industry in the Mediterranean.
Chemical Composition and Variability of the Volatile Components of Myrciaria Species Growing in the Amazon Region
Authors: da Costa Jamile Silva , Andrade Waldemir Magno S. , de Figueiredo Raphael O. , Santos Paulo Vinicius L. , Freitas Jofre Jacob da Silva , Setzer William N. , da Silva Joyce Kelly R. , Maia José Guilherme S. , Figueiredo Pablo Luis B.
Published: March 2022

Myrciaria (Myrtaceae) species have been well investigated due to their chemical and biological relevance. The present work aimed to carry out the chemotaxonomic study of essential oils of the species M. dubia, M. floribunda, and M. tenella, sampled in the Brazilian Amazon and compare them with the volatile compositions from other Myrciaria species reported to Brazil and Colombia. The leaves of six Myrciaria specimens were collected (PA, Brazil) during the dry season, and their chemical compositions were analyzed by gas chromatography-mass spectrometer (GC-MS) and gas chromatography-flame ionization detector (GC-FID). The main compounds identified in the essential oils were monoterpenes with pinane and menthane skeletons, followed by sesquiterpenes with caryophyllane and cadinane skeletons. Among the sampled Myrciaria specimens, five chemical profiles were reported for the first time: profile I (M. dubia, α-pinene, 54.0–67.2%); profile II (M. floribunda, terpinolene 23.1%, α-phellandrene 17.7%, and γ-terpinene 8.7%); profile III (M. floribunda, γ-cadinene 17.5%, and an unidentified oxygenated sesquiterpene 15.0%); profile IV (M. tenella, E-caryophyllene 43.2%, and α-humulene 5.3%); and profile V (M. tenella, E-caryophyllene 19.1%, and caryophyllene oxide 41.1%). The Myrciaria chemical profiles showed significant variability in extraction methods, collection sites, plant parts, and genetic aspects.
Exploring the Antiparasitic Activity of Tris-1,3,4-Thiadiazoles against Toxoplasma gondii-Infected Mice
Authors: Almutairi Tahani M. , Rezki Nadjet , Aouad Mohamed Reda , Hagar Mohamed , Bakr Basant A. , Hamed Moaaz T. , Hassen Maha Khairy , Elwakil Bassma H. , Moneer Esraa Abdelhamid
Published: March 2022

Nitrogen-containing atoms in their core structures have been exclusive building blocks in drug discovery and development. One of the most significant and well-known heterocycles is the 1,3,4-thidiazole nucleus, which is found in a wide range of natural products and therapeutic agents. In the present work, certain tris-1,3,4-thiadiazole derivatives (6, 7) were synthesized through a multi-step synthesis approach. All synthesized compounds were characterized using different spectroscopic tools. Previously, thiadiazole compounds as anti-Toxoplasma gondii agents have been conducted and reported in vitro. However, this is the first study to test the anti-Toxoplasma gondii activity of manufactured molecular hybrids thiadiazole in an infected mouse model with the acute RH strain of T. gondii. All the observed results demonstrated compound (7)’s powerful activity, with a considerable reduction in the parasite count reaching 82.6% in brain tissues, followed by liver and spleen tissues (65.35 and 64.81%, respectively). Inflammatory and anti-inflammatory cytokines assessments proved that Compound 7 possesses potent antiparasitic effect. Furthermore, docking tests against TgCDPK1 and ROP18 kinase (two major enzymes involved in parasite invasion and egression) demonstrated compound 7’s higher potency compared to compound 6 and megazol. According to the mentioned results, tris-1,3,4-thiadiazole derivatives under test can be employed as potent antiparasitic agents against the acute RH strain of T. gondii.
Variation in Population and Solvents as Factors Determining the Chemical Composition and Antioxidant Potential of Arctostaphylos uva-ursi (L.) Spreng. Leaf Extracts
Authors: Sugier Piotr , Sęczyk Łukasz , Sugier Danuta
Published: March 2022

The bearberry Arctostaphylos uva-ursi (L.) Spreng. has a long history of ethnopharmacological use. This species has been used in folk medicine for centuries as a rich source of raw material abundant in secondary metabolites and is important for medicinal and pharmacological purposes. The plant is a source of herbal material—Uvae ursi folium, which is highly valued and sought by pharmaceutical and cosmetic industries. The studied bearberry leaves can be classified as a suitable herbal material for use in pharmacy; therefore, the investigated populations can be a potentially valuable source of plant material for cultivation and can be used in in vitro cultures and in biotechnological processes. The objective of this study was to characterize the variability of the phytochemical composition and antioxidant activity of water and ethanol bearberry extracts from raw material collected from different natural populations. In each of the twelve A. uva-ursi sites, three leaf samples were collected and analyzed. The water extracts from bearberry leaves were characterized by similar concentration of arbutin (77.64–105.56 mg g−1) and a significantly higher concentration of hydroquinone (6.96–13.08 mg g−1) and corilagin (0.83–2.12 mg g−1) in comparison with the ethanol extracts −77.21–103.38 mg g−1, 10.55–16.72 mg g−1, 0.20–1.54 mg g−1, respectively. The concentration of other metabolites in the water extracts was significantly lower in comparison with the ethanol extracts. In the case of the water extracts, a significant effect of not only total phenolic compounds, but also hydroquinone on the antioxidant parameters, was observed, which indicates the solvent-related activity of these metabolites. Therefore, it is suggested that special attention should be paid to the concentration of not only arbutin, but also hydroquinone in Uvae ursi folium. The latter metabolite serving a very important function as an active bearberry ingredient should be controlled not only in alcoholic extracts but also in water extracts, since bearberry leaves are applied as infusions and decoctions. The results presented in this paper can contribute to appropriate selection of plant material for pharmaceutical, cosmetic, and food industries, with special emphasis on the antioxidant activity of different types of extracts.
Structure and Processing Properties of Nine Yam (Dioscorea opposita Thunb) Starches from South China: A Comparison Study
Authors: Zou Jinhao , Li Yan , Su Xiaojun , Wang Feng , Li Qingming , Xia Huiping
Published: March 2022

In order to explore the processing and application potential of Chinese yam starch, nine kinds of Chinese yam starch (GY11, GY5, GY2, GXPY, LCY, SFY, MPY, SYPY, ASY) from South China were collected and characterized. The chemical composition, rheological properties, thermal properties, and in vitro starch digestion were compared, and the correlation between the structure and processing properties of these yam starches was analyzed using Pearson correlation. The results show that GY2 had the highest amylose content of 28.70%. All the yam starches were similarly elliptical, and all the yam starch gels showed pseudoplastic behavior. Yam starches showed similar pasting temperatures and resistant starch content, but SYPY showed the largest particle size (28.4 μm), SFY showed the highest setback (2712.33 cp), and LCY showed the highest peak viscosity (6145.67 cp) and breakdown (2672.33 cp). In addition, these yam starches also showed different crystal types (A-type, B-type, C-type), relative crystallinity (26.54–31.48%), the ratios of 1045/1022 cm−1 (0.836–1.213), pasting properties, and rheological properties, so the yam starches have different application potentials. The rheological and pasting properties were related to the structural properties of starch, such as DI, Mw, and particle size, and were also closely related to the thermodynamic properties. The appropriate processing methods and purposes of the processed products of these yam starches can be selected according to their characteristics.
Diterpenoid Alkaloids Isolated from Delphinium brunonianum and Their Inhibitory Effects on Hepatocytes Lipid Accumulation
Authors: Ma Huanhuan , Ma Yunxia , Dawa Zeren , Yao Yufeng , Wang Meiqi , Zhang Kaihui , Zhu Chenchen , Liu Fangle , Lin Chaozhan
Published: March 2022

This research aimed to excavate compounds with activity reducing hepatocytes lipid accumulation from Delphinium brunonianum. Four novel diterpenoid alkaloids, brunodelphinine B–E, were isolated from D. brunonianum together with eleven known diterpenoid alkaloids through a phytochemical investigation. Their structures were elucidated by comprehensive spectroscopy methods including HR-ESI-MS, NMR, IR, UV, CD, and single-crystal X-ray diffraction analysis. The inhibitory effects of a total of 15 diterpenoid alkaloids on hepatocytes lipid accumulation were evaluated using 0.5 mM FFA (oleate/palmitate 2:1 ratio) to induce buffalo rat liver (BRL) cells by measuring the levels of triglyceride (TG), total cholesterol (TC), alanine transaminase (ALT), aspartate transaminase (AST), and the staining of oil red O. The results show that five diterpenoid alkaloids—brunodelphinine E (4), delbruline (5), lycoctonine (7), delbrunine (8), and sharwuphinine A (12)—exhibited significant inhibitory effects on lipid accumulation in a dose-dependent manner and without cytotoxicity. Among them, sharwuphinine A (12) displayed the strongest inhibition of hepatocytes lipid accumulation in vitro. Our research increased the understanding on the chemical composition of D. brunonianum and provided experimental and theoretical evidence for the active ingredients screened from this herbal medicine in the treatment of the diseases related to lipid accumulation, such as non-alcoholic fatty liver disease and hyperlipidemia.
Interfacial Properties, Wettability Alteration and Emulsification Properties of an Organic Alkali–Surface Active Ionic Liquid System: Implications for Enhanced Oil Recovery
Authors: Tackie-Otoo Bennet Nii , Ayoub Mohammed Mohammed Abdalla , Zalghani Hazman Akmal Bin Mohd , Hassan Anas M. , Murungi Pearl Isabellah , Tabaaza Grace Amabel
Published: April 2022

Combinatory flooding techniques evolved over the years to mitigate various limitations associated with unitary flooding techniques and to enhance their performance as well. This study investigates the potential of a combination of 1-hexadecyl-3-methyl imidazolium bromide (C16mimBr) and monoethanolamine (ETA) as an alkali–surfactant (AS) formulation for enhanced oil recovery. The study is conducted comparative to a conventional combination of cetyltrimethylammonium bromide (CTAB) and sodium metaborate (NaBO2). The study confirmed that C16mimBr and CTAB have similar aggregation behaviors and surface activities. The ETA–C16mimBr system proved to be compatible with brine containing an appreciable concentration of divalent cations. Studies on interfacial properties showed that the ETA–C16mimBr system exhibited an improved IFT reduction capability better than the NaBO2–CTAB system, attaining an ultra-low IFT of 7.6 × 10−3 mN/m. The IFT reduction performance of the ETA–C16mimBr system was improved in the presence of salt, attaining an ultra-low IFT of 2.3 × 10−3 mN/m. The system also maintained an ultra-low IFT even in high salinity conditions of 15 wt% NaCl concentration. Synergism was evident for the ETA–C16mimBr system also in altering the carbonate rock surface, while the wetting power of CTAB was not improved by the addition of NaBO2. Both the ETA–C16mimBr and NaBO2–CTAB systems proved to form stable emulsions even at elevated temperatures. This study, therefore, reveals that a combination of surface-active ionic liquid and organic alkali has excellent potential in enhancing the oil recovery in carbonate reservoirs at high salinity, high-temperature conditions in carbonate formations.
Synthesis, Characterization, and In Vivo Study of Some Novel 3,4,5-Trimethoxybenzylidene-hydrazinecarbothioamides and Thiadiazoles as Anti-Apoptotic Caspase-3 Inhibitors
Authors: Mostafa Sara M. , Aly Ashraf A. , Bräse Stefan , Nieger Martin , Abdelhafez Sara Mohamed Naguib , Abdelzaher Walaa Yehia , Abdelhafez El-Shimaa M. N.
Published: April 2022

The present study aims to discover novel derivatives as antiapoptotic agents and their protective effects against renal ischemia/reperfusion. Therefore, a series of new thiadiazole analogues 2a–g was designed and synthesized through cyclization of the corresponding opened hydrazinecarbothioamides 1a–g, followed by confirmation of the structure via spectroscopic tools (NMR, IR and mass spectra) and elemental analyses. The antiapoptotic activity showed alongside decreasing of tissue damage induced by I/R in the kidneys of rats using N-acetylcysteine (NAC) as an antiapoptotic reference. Most of the cyclized thiadiazoles are better antiapoptotic agents than their corresponding opened precursors. Particularly, compounds 2c and 2g were the most active antiapoptotic compounds with significant biomarkers. A preliminary mechanistic study was performed through caspase-3 inhibition. Compound 2c was selected along with its corresponding opened precursor 1c. An assay of cytochrome C revealed that there is an attenuation of cytochrome C level of about 5.5-fold, which was better than 1c with a level of 4.1-fold. In caspases-3, 8 and 9 assays, compound 2c showed more potency and selectivity toward caspase-3 and 9 compared with 1c. The renal histopathological investigation indicated normal renal tissue for most of the compounds, especially 2c and 2g, relative to the control. Finally, a molecular docking study was conducted at the caspase-3 active site to suggest possible binding modes.
Synthesis and Hemostatic Activity of New Amide Derivatives
Authors: Banach Lukasz , Janczewski Lukasz , Kajdanek Jakub , Milowska Katarzyna , Kolodziejczyk-Czepas Joanna , Galita Grzegorz , Rozpedek-Kaminska Wioletta , Kucharska Ewa , Majsterek Ireneusz , Kolesinska Beata
Published: April 2022

Eight dipeptides containing antifibrinolytic agents (tranexamic acid, aminocaproic acid, 4-(aminomethyl)benzoic acid, and glycine—natural amino acids) were synthesized in a three-step process with good or very good yields. DMT/NMM/TsO− (4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium toluene-4-sulfonate) was used as a coupling reagent. Hemolysis tests were used to study the effects of the dipeptides on blood components. Blood plasma clotting tests were used to examine their effects on thrombin time (TT), prothrombin time (PT), and the activated partial thromboplastin time (aPTT). The level of hemolysis did not exceed 1%. In clotting tests, TT, PT, and aPTT did not differentiate any of the compounds. The prothrombin times for all amides 1–8 were similar. The obtained results in the presence of amides 1–4 and 8 were slightly lower than for the other compounds and the positive control, and they were similar to the results obtained for TA. In the case of amide 3, a significantly decreased aPTT was observed. The aPTTs observed for plasma treated with amide 3 and TA were comparable. In the case of amide 6 and 8, TT values significantly lower than for the other compounds were found. The clot formation and fibrinolysis (CFF) assay was used to assess the influence of the dipeptides on the blood plasma coagulation cascade and the fibrinolytic efficiency of the blood plasma. In the clot formation and fibrinolysis assay, amides 5 and 7 were among the most active compounds. The cytotoxicity and genotoxicity of the synthesized dipeptides were evaluated on the monocyte/macrophage peripheral blood cell line. The dipeptides did not cause hemolysis at any concentrations. They exhibited no significant cytotoxic effect on SC cells and did not induce significant DNA damage.
Red Horse Chestnut and Horse Chestnut Flowers and Leaves: A Potential and Powerful Source of Polyphenols with High Antioxidant Capacity
Authors: Bielarska Agnieszka Monika , Jasek Jakub Wojciech , Kazimierczak Renata , Hallmann Ewelina
Published: April 2022

Aesculus flowers and leaves are an excellent source of bioactive compounds, including flavanols, phenolic acids, and anthocyanins, and the leaves also contain antioxidant carotenoids and chlorophylls. The aim of this study was to analyse and compare the amounts of bioactive compounds present in Aesculus hippocastanum and Aesculus × carnea flowers and leaves over two years. These two species from six independent locations (parks and green areas) located in Warsaw were assessed in this study. The dry matter by the scale method and polyphenol, carotenoid, and chlorophyll content by the HPLC method of the flowers and leaves was evaluated. Red horse chestnut flowers contained significantly more total carotenoids (40.6 µg/g FW) and chlorophylls (36.9 µg/g FW) than horse chestnut flowers, and red horse chestnut flowers contained higher levels of anthocyanins (5.41 µg/g FW) than other species. We observed that horse chestnut flowers were characterized by a higher total polyphenols concentration (9.45 µg/g FW) compared to red horse chestnut flowers. In addition, the analysis of leaves showed that all quality parameters were higher in red horse chestnut species. Five individual anthocyanins were identified in both species’ flowers, but a higher concentration was found in red horse chestnut flowers, and pelargonidin-3-O-glucoside was the predominant form among a pool of total anthocyanins. In both experimental years, leaves (109.25 mMol/100 g FW and 112.0 mMol/100 g FW) were characterized by a higher antioxidant activity than flowers (27.0 mMol/100 g FW and 27.5 mMol/100 g FW).
Prediction of Antibacterial Peptides against Propionibacterium acnes from the Peptidomes of Achatina fulica Mucus Fractions
Authors: Chalongkulasak Suwapitch , E-kobon Teerasak , Chumnanpuen Pramote
Published: April 2022

Acne vulgaris is a common skin disease mainly caused by the Gram-positive pathogenic bacterium, Propionibacterium acnes. This bacterium stimulates the inflammation process in human sebaceous glands. The giant African snail (Achatina fulica) is an alien species that rapidly reproduces and seriously damages agricultural products in Thailand. There were several research reports on the medical and pharmaceutical benefits of these snail mucus peptides and proteins. This study aimed to in silico predict multifunctional bioactive peptides from A. fulica mucus peptidome using bioinformatic tools for the determination of antimicrobial (iAMPpred), anti-biofilm (dPABBs), cytotoxic (ToxinPred) and cell-membrane-penetrating (CPPpred) peptides. Three candidate peptides with the highest predictive score were selected and re-designed/modified to improve the required activities. Structural and physicochemical properties of six anti-P. acnes (APA) peptide candidates were performed using the PEP–FOLD3 program and the four previous tools. All candidates had a random coiled structure and were named APAP-1 ori, APAP-2 ori, APAP-3 ori, APAP-1 mod, APAP-2 mod, and APAP-3 mod. To validate the APA activity, these peptide candidates were synthesized and tested against six isolates of P. acnes. The modified APA peptides showed high APA activity on three isolates. Therefore, our biomimetic mucus peptides could be useful for preventing acne vulgaris and further examined on other activities important to medical and pharmaceutical applications.
Bioactivities and Mode of Actions of Dibutyl Phthalates and Nocardamine from Streptomyces sp. H11809
Authors: Mahmud Fauze , Lai Ngit Shin , How Siew Eng , Gansau Jualang Azlan , Mustaffa Khairul Mohd Fadzli , Leow Chiuan Herng , Osman Hasnah , Sidek Hasidah Mohd , Embi Noor , Lee Ping-Chin
Published: April 2022

Dibutyl phthalate (DBP) produced by Streptomyces sp. H11809 exerted inhibitory activity against human GSK-3β (Hs GSK-3β) and Plasmodiumfalciparum 3D7 (Pf 3D7) malaria parasites. The current study aimed to determine DBP’s plausible mode of action against Hs GSK-3β and Pf 3D7. Molecular docking analysis indicated that DBP has a higher binding affinity to the substrate-binding site (pocket 2; −6.9 kcal/mol) than the ATP-binding site (pocket 1; −6.1 kcal/mol) of Hs GSK-3β. It was suggested that the esters of DBP play a pivotal role in the inhibition of Hs GSK-3β through the formation of hydrogen bonds with Arg96/Glu97 amino acid residues in pocket 2. Subsequently, an in vitro Hs GSK-3β enzymatic assay revealed that DBP inhibits the activity of Hs GSK-3β via mixed inhibition inhibitory mechanisms, with a moderate IC50 of 2.0 µM. Furthermore, the decrease in Km value with an increasing DBP concentration suggested that DBP favors binding on free Hs GSK-3β over its substrate-bound state. However, the antimalarial mode of action of DBP remains unknown since the generation of a Pf 3D7 DBP-resistant clone was not successful. Thus, the molecular target of DBP might be indispensable for Pf survival. We also identified nocardamine as another active compound from Streptomyces sp. H11809 chloroform extract. It showed potent antimalarial activity with an IC50 of 1.5 μM, which is ~10-fold more potent than DBP, but with no effect on Hs GSK-3β. The addition of ≥12.5 µM ferric ions into the Pf culture reduced nocardamine antimalarial activity by 90% under in vitro settings. Hence, the iron-chelating ability of nocardamine was shown to starve the parasites from their iron source, eventually inhibiting their growth.
Quinazoline Based HDAC Dual Inhibitors as Potential Anti-Cancer Agents
Authors: Dhuguru Jyothi , Ghoneim Ola A.
Published: April 2022

Cancer is the most devastating disease and second leading cause of death around the world. Despite scientific advancements in the diagnosis and treatment of cancer which can include targeted therapy, chemotherapy, endocrine therapy, immunotherapy, radiotherapy and surgery in some cases, cancer cells appear to outsmart and evade almost any method of treatment by developing drug resistance. Quinazolines are the most versatile, ubiquitous and privileged nitrogen bearing heterocyclic compounds with a wide array of biological and pharmacological applications. Most of the anti-cancer agents featuring quinazoline pharmacophore have shown promising therapeutic activity. Therefore, extensive research is underway to explore the potential of these privileged scaffolds. In this context, a molecular hybridization approach to develop hybrid drugs has become a popular tool in the field of drug discovery, especially after witnessing the successful results during the past decade. Histone deacetylases (HDACs) have emerged as an important anti-cancer target in the recent years given its role in cellular growth, gene regulation, and metabolism. Dual inhibitors, especially based on HDAC in particular, have become the center stage of current cancer drug development. Given the growing significance of dual HDAC inhibitors, in this review, we intend to compile the development of quinazoline based HDAC dual inhibitors as anti-cancer agents.