bluuebunny/crossref_metadata_2025 huggingface dataset:
State-of-the-Art Organic- and Inorganic-Based Hollow Fiber Membranes in Liquid and Gas Applications: Looking Back and Beyond
Authors: Lau Hui , Lau Siew , Soh Leong , Hong Seang , Gok Xie , Yi Shouliang , Yong Wai
Published: May 2022

The aggravation of environmental problems such as water scarcity and air pollution has called upon the need for a sustainable solution globally. Membrane technology, owing to its simplicity, sustainability, and cost-effectiveness, has emerged as one of the favorable technologies for water and air purification. Among all of the membrane configurations, hollow fiber membranes hold promise due to their outstanding packing density and ease of module assembly. Herein, this review systematically outlines the fundamentals of hollow fiber membranes, which comprise the structural analyses and phase inversion mechanism. Furthermore, illustrations of the latest advances in the fabrication of organic, inorganic, and composite hollow fiber membranes are presented. Key findings on the utilization of hollow fiber membranes in microfiltration (MF), nanofiltration (NF), reverse osmosis (RO), forward osmosis (FO), pervaporation, gas and vapor separation, membrane distillation, and membrane contactor are also reported. Moreover, the applications in nuclear waste treatment and biomedical fields such as hemodialysis and drug delivery are emphasized. Subsequently, the emerging R&D areas, precisely on green fabrication and modification techniques as well as sustainable materials for hollow fiber membranes, are highlighted. Last but not least, this review offers invigorating perspectives on the future directions for the design of next-generation hollow fiber membranes for various applications. As such, the comprehensive and critical insights gained in this review are anticipated to provide a new research doorway to stimulate the future development and optimization of hollow fiber membranes.
Development and Industrial-Scale Fabrication of Next-Generation Low-Energy Membranes for Desalination
Authors: Goh Li May , Thong Zhiwei , Li Weikun Paul , Ooi Shu Ting , Esa Farhanah , Ng Kok Seng , Dhalla Adil , Gudipati Chakravarthy
Published: May 2022

Spiral-wound modules have been the most common configuration of packing flat-sheet membranes since the early development of polyamide (PA) membranes for water treatment applications. Conventional spiral-wound modules (SWMs) for desalination applications typically consist of several leaf sets, with each leaf set comprising feed spacers, membranes, and a permeate carrier (PC) wrapped around a permeate-collecting tube. The membrane area that can be packed into a given module diameter is limited by the overall leaf set thickness, restricting module productivity for a given membrane permeability. We describe here a novel industrial-scale method for successfully coating the polysulfone (PSf) ultrafiltration (UF) support layer directly onto a permeate carrier, instead of conventional non-woven fabric, as a precursor to the polyamide TFC coating, resulting in twofold benefits: (a) drastically simplifying the membrane fabrication process by eliminating the use of non-woven fabric and (b) increasing the throughput of each membrane module by facilitating the packing of a larger membrane area in a standard module housing. By combining the permeate carrier and membrane into a single sheet, the need for the non-woven support layer was eliminated, leading to a significantly reduced leaf set thickness, enabling a much larger membrane area to be packed in a given volume, leading to lower energy consumption per cubic meter of produced water. Molecular-weight cutoff (MWCO) values in the range of 36–96 kDa were found to be dependent on PC thickness and material. Nevertheless, the reinforced membranes were successfully fabricated with a ~9% reduction in membrane leaf thickness compared to a conventional membrane. Preliminary trials of coating a thin-film composite PA layer resulted in defect-free reverse osmosis (RO) membranes with a salt rejection of 94% and a flux of 40 L m−2 h−1 when tested against a 2000 mg/L NaCl feed solution at an operating pressure of 15 bar. Results from the testing of the 1812 and 2514 elements validated the novel concept and paved the way for further improvements towards full-scale RO membranes with the potential to be the next low-energy workhorse of the water industry.
Experimental Modeling of the Bifurcation Set Equation of the Chip-Splitting Catastrophe in Symmetrical Straight Double-Edged Cutting
Authors: You Qingfa , Xu Mingxian , Zhu Baoyi , Xiong Liangshan , Yin Kai
Published: May 2022

The chip-splitting catastrophe (CSC) generated by symmetrical cutting with a straight double-edged tool will lead to a significant reduction in cutting force. This has enormous potential for energy-saving machining and for the design of energy efficient cutting tools. The premise of the utilization is to establish a mathematical model that can predict the critical conditions of CSC. However, no related literature has studied the prediction model of CSC. Therefore, this paper proposes an experimental method based on catastrophe theory to establish a model of CSC bifurcation set equations that can predict critical conditions. A total of 355 groups of experiments are conducted to observe the critical conditions of CSC in symmetrical straight double-edged cutting, and 22 groups of experimental data of the critical conditions were acquired. The modeling process is converted into the optimal solution of the function coefficient value when the mapping function from a set of actual control parameters to theoretical control parameters (u, v, w) is a linear function. The bifurcation set equation of CSC is established, which can predict CSC in the symmetrical cutting of a straight double-edged turning tool with any combination of edge angle and rake angle. With verification, it is found that the occurrence of CSC has obvious regularity, and the occurrence of CSC will lead to a maximum reduction of 64.68% in the specific cutting force. The predicted values of the critical cutting thickness for the CSC of the established equation are in good agreement with the experimental results (the average absolute error is 5.34%). This study lays the foundation for the energy-saving optimization of tool geometry and process parameters through the reasonable utilization of CSC.
Neonatal Hypoxic-Ischemic Brain Injury Alters Brain Acylcarnitine Levels in a Mouse Model
Authors: Dave Amanda M. , Genaro-Mattos Thiago C. , Korade Zeljka , Peeples Eric S.
Published: May 2022

Hypoxic-ischemic brain injury (HIBI) leads to depletion of ATP, mitochondrial dysfunction, and enhanced oxidant formation. Measurement of acylcarnitines may provide insight into mitochondrial dysfunction. Plasma acylcarnitine levels are altered in neonates after an HIBI, but individual acylcarnitine levels in the brain have not been evaluated. Additionally, it is unknown if plasma acylcarnitines reflect brain acylcarnitine changes. In this study, postnatal day 9 CD1 mouse pups were randomized to HIBI induced by carotid artery ligation, followed by 30 min at 8% oxygen, or to sham surgery and normoxia, with subgroups for tissue collection at 30 min, 24 h, or 72 h after injury (12 animals/group). Plasma, liver, muscle, and brain (dissected into the cortex, cerebellum, and striatum/thalamus) tissues were collected for acylcarnitine analysis by LC-MS. At 30 min after HIBI, acylcarnitine levels were significantly increased, but the differences resolved by 24 h. Palmitoylcarnitine was increased in the cortex, muscle, and plasma, and stearoylcarnitine in the cortex, striatum/thalamus, and cerebellum. Other acylcarnitines were elevated only in the muscle and plasma. In conclusion, although plasma acylcarnitine results in this study mimic those seen previously in humans, our data suggest that the plasma acylcarnitine profile was more reflective of muscle changes than brain changes. Acylcarnitine metabolism may be a target for therapeutic intervention after neonatal HIBI, though the lack of change after 30 min suggests a limited therapeutic window.
O-Doping Configurations Reduce the Adsorption Energy Barrier of K-Ions to Improve the Electrochemical Performance of Biomass-Derived Carbon
Authors: Zhao Kai , Chen Changdong , La Ming , Yang Chenghao
Published: May 2022

In recent years, atomic-doping has been proven to significantly improve the electrochemical performance of biomass-derived carbon materials, which is a promising modification strategy. Among them, there are relatively few reports about O-doping. Here, porous carbon derived from orange peel was prepared by simple carbonization and airflow-annealing processes. Under the coordination of microstructure and surface groups, the derived carbon had excellent electrochemical performance for the K-ion batteries’ anode, including a high reversible specific capacity of 320.8 mAh/g, high rate performance of 134.6 mAh/g at a current density of 2000 mA/g, and a retention rate of 79.5% even after 2000 long-term cycles, which shows great application potential. The K-ion storage mechanisms in different voltage ranges were discussed by using various characterization techniques, that is, the surface adsorbed of K-ionswas in the high-potential slope area, and the intercalation behavior corresponded to the low-potential quasi-plateau area. In addition, the density functional theory calculations further confirmed that O-doping can reduce the adsorption energy barrier of K-ions, change the charge density distribution, and promote the K-ion storage. In particular, the surface Faraday reaction between the C=O group and K-ions plays an important role in improving the electrochemical properties.
Effects of Humic Substances on the Growth of Pseudomonas plecoglossicida 2,4-D and Wheat Plants Inoculated with This Strain
Authors: Feoktistova Arina , Bakaeva Margarita , Timergalin Maxim , Chetverikova Darya , Kendjieva Aliya , Rameev Timur , Hkudaygulov Gaisar , Nazarov Aleksey , Kudoyarova Guzel , Chetverikov Sergey
Published: May 2022

Both rhizosphere bacteria and humic substances (HSs) can promote plant growth when applied individually and even greater effects of their combination have been demonstrated. We aimed to elucidate the relative importance of the stimulating effects of HSs on bacterial growth and the effects of the combination of bacteria and HSs on plants themselves. The effects of humic (HA) and fulvic acids (FA) (components of humic substances) on the growth of Pseudomonas plecoglossicida 2,4-D in vitro were studied. We also studied the effects of this bacterial strain and HSs applied individually or in combination on the growth of wheat plants. Although the 2,4-D strain showed low ability to use HSs as the sole source of nutrition, the bacterial growth rate was increased by FA and HA, when other nutrients were available. HSs increased root colonization with bacteria, the effect being greater in the case of HA. The effects on roots and shoots increased when bacteria were associated with HSs. FA+ 2,4-D was more effective in stimulating shoot growth, while HA + 2,4-D was in the case of root growth. The latter effect is likely to be beneficial under edaphic stresses.
Evolution Characteristics of Overlying Strata Fractures in Paste Composite Filling Stope
Authors: Lv Wenyu , Guo Kai , Wang Haijin , Feng Kun , Jia Dongdong
Published: May 2022

Paste composite filling mining (PCFM) is one of the effective ways to achieve water-preserved mining (preservation of the waterproof strata). To investigate the laws of fracture propagation of the overlying strata in the PCFM stope, a kinematic model of overlying strata in the PCFM was established, which identified the major determinants to the development of overlying strata fractures. Taking the 112,201 working face of the test mine as the research background, the physical similar simulation, numerical computation, and theoretical analysis were combined to analyze the development characteristics of overlying strata fractures in the PCFM under the reaction between many factors (mining height, filling ratio, burial depth). The results show that the larger the mining height of the working face, the larger the development degree of overlying strata fractures. When the mining height is smaller, fractures are mostly distributed on both sides of the coal wall; when the mining height is larger, overlying strata fractures are mostly distributed on both sides of the coal wall and the upper part of overlying strata. The larger the paste filling ratio of the working face, the smaller the development degree of overlying strata fractures. Overlying strata fractures are mostly distributed in overlying strata on both sides of the coal wall. When the filling ratio of the working face increases, it is possible to effectively control the development of overlying strata fractures. The shallower the burial depth of the working face is, the faster the fractures are developed. With the increase of the burial depth, the development of overlying strata fractures is reduced, and overlying strata fractures will finally tend to be a stable value. The research results provide an important theoretical foundation for the application of the localized paste filling mining technique in the water-preserved mining, and also complement the theories of filling mining.
Materials Used for the Microencapsulation of Probiotic Bacteria in the Food Industry
Authors: Kowalska Ewa , Ziarno Małgorzata , Ekielski Adam , Żelaziński Tomasz
Published: May 2022

Probiotics and probiotic therapy have been rapidly developing in recent years due to an increasing number of people suffering from digestive system disorders and diseases related to intestinal dysbiosis. Owing to their activity in the intestines, including the production of short-chain fatty acids, probiotic strains of lactic acid bacteria can have a significant therapeutic effect. The activity of probiotic strains is likely reduced by their loss of viability during gastrointestinal transit. To overcome this drawback, researchers have proposed the process of microencapsulation, which increases the resistance of bacterial cells to external conditions. Various types of coatings have been used for microencapsulation, but the most popular ones are carbohydrate and protein microcapsules. Microencapsulating probiotics with vegetable proteins is an innovative approach that can increase the health value of the final product. This review describes the different types of envelope materials that have been used so far for encapsulating bacterial biomass and improving the survival of bacterial cells. The use of a microenvelope has initiated the controlled release of bacterial cells and an increase in their activity in the large intestine, which is the target site of probiotic strains.
Cloning and Functional Characterization of Two Germacrene A Oxidases Isolated from Xanthium sibiricum
Authors: Xie Dong-Mei , Zhang Qiang , Xin Ling-Kai , Wang Guo-Kai , Liu Cong-Bin , Qin Min-Jian
Published: May 2022

Sesquiterpene lactones (STLs) from the cocklebur Xanthium sibiricum exhibit significant anti-tumor activity. Although germacrene A oxidase (GAO), which catalyzes the production of Germacrene A acid (GAA) from germacrene A, an important precursor of germacrene-type STLs, has been reported, the remaining GAOs corresponding to various STLs’ biosynthesis pathways remain unidentified. In this study, 68,199 unigenes were studied in a de novo transcriptome assembly of X. sibiricum fruits. By comparison with previously published GAO sequences, two candidate X. sibiricum GAO gene sequences, XsGAO1 (1467 bp) and XsGAO2 (1527 bp), were identified, cloned, and predicted to encode 488 and 508 amino acids, respectively. Their protein structure, motifs, sequence similarity, and phylogenetic position were similar to those of other GAO proteins. They were most strongly expressed in fruits, according to a quantitative real-time polymerase chain reaction (qRT-PCR), and both XsGAO proteins were localized in the mitochondria of tobacco leaf epidermal cells. The two XsGAO genes were cloned into the expression vector for eukaryotic expression in Saccharomyces cerevisiae, and the enzyme reaction products were detected by gas chromatography–mass spectrometry (GC-MS) and liquid chromatography–mass spectrometry (LC-MS) methods. The results indicated that both XsGAO1 and XsGAO2 catalyzed the two-step conversion of germacrene A (GA) to GAA, meaning they are unlike classical GAO enzymes, which catalyze a three-step conversion of GA to GAA. This cloning and functional study of two GAO genes from X. sibiricum provides a useful basis for further elucidation of the STL biosynthesis pathway in X. sibiricum.
New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
Authors: Przybyłek Maciej , Miernicka Anna , Nowak Mateusz , Cysewski Piotr
Published: May 2022

New protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive solubilizer compared to commonly used aprotic solvents such as DMSO and DMF. This was tested experimentally by measuring the solubility of the title compounds in aqueous binary mixtures in the temperature range between 298.15 K and 313.15 K. Additional measurements were also performed for aqueous binary mixtures of DMSO and DMF. It has been found that the solubility of studied aromatic amides is very high and quite similar in all three aprotic solvents. For most aqueous binary mixtures, a significant decrease in solubility with a decrease in the organic fraction is observed, indicating that all systems can be regarded as efficient solvent-anti-solvent pairs. In the case of salicylamide dissolved in aqueous-4FM binary mixtures, a strong synergistic effect has been found leading to the highest solubility for 0.6 mole fraction of 4-FM.
Synthesis, Redox and Spectroscopic Properties of Pterin of Molybdenum Cofactors
Authors: Colston Kyle J. , Basu Partha
Published: May 2022

Pterins are bicyclic heterocycles that are found widely across Nature and are involved in a variety of biological functions. Notably, pterins are found at the core of molybdenum cofactor (Moco) containing enzymes in the molybdopterin (MPT) ligand that coordinates molybdenum and facilitates cofactor activity. Pterins are diverse and can be widely functionalized to tune their properties. Herein, the general methods of synthesis, redox and spectroscopic properties of pterin are discussed to provide more insight into pterin chemistry and their importance to biological systems.
Insecticidal Activity of Organic Extracts of Solidago graminifolia and Its Main Metabolites (Quercetin and Chlorogenic Acid) against Spodoptera frugiperda: An In Vitro and In Silico Approach
Authors: Herrera-Mayorga Verónica , Guerrero-Sánchez José Alfredo , Méndez-Álvarez Domingo , Paredes-Sánchez Francisco A. , Rodríguez-Duran Luis Víctor , Niño-García Nohemí , Paz-González Alma D. , Rivera Gildardo
Published: May 2022

Spodoptera frugiperda (S. frugiperda) remains a global primary pest of maize. Therefore, new options to combat this pest are necessary. In this study, the insecticidal activity of three crude foliar extracts (ethanol, dichloromethane, and hexane) and their main secondary metabolites (quercetin and chlorogenic acid) of the species Solidago graminifolia (S. graminifolia) by ingestion bioassays against S. frugiperda larvae was analyzed. Additionally, the extracts were phytochemically elucidated by ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) analysis. Finally, an in silico study of the potential interaction of quercetin on S. frugiperda acetylcholinesterase was performed. Organic extracts were obtained in the range from 5 to 33%. The ethanolic extract caused higher mortality (81%) with a half-maximal lethal concentration (LC50) of 0.496 mg/mL. Flavonoid secondary metabolites such as hyperoside, quercetin, isoquercetin, kaempferol, and avicularin and some phenolic acids such as chlorogenic acid, solidagoic acid, gallic acid, hexoside, and rosmarinic acid were identified. In particular, quercetin had an LC50 of 0.157 mg/mL, and chlorogenic acid did not have insecticidal activity but showed an antagonistic effect on quercetin. The molecular docking analysis of quercetin on the active site of S. frugiperda acetylcholinesterase showed a −5.4 kcal/mol binding energy value, lower than acetylcholine and chlorpyrifos (−4.45 and −4.46 kcal/mol, respectively). Additionally, the interactions profile showed that quercetin had π–π interactions with amino acids W198, Y235, and H553 on the active site.
A Multifield Study on Dimethyl Acetylenedicarboxylate: A Reagent Able to Build a New Cycle on Diaminoimidazoles
Authors: Vandyshev Dmitrii Yu. , Burov Oleg N. , Lisovin Anton V. , Mangusheva Daria A. , Potapov Mikhail A. , Ilyinova Tatiana N. , Shikhaliev Khidmet S. , Geronikaki Athina , Spinelli Domenico
Published: May 2022

A new effective method for the synthesis of imidazo[1,5-b]pyridazines derivatives (yields = 68–89%) by the interaction of 1,2-diamino-4-phenylimidazole with DMAD, in methanol and in the presence of a catalytic amount of acetic acid, is proposed. The course of reaction has been examined by classical organic methods, HPLC-MS analysis, and quantum-chemical calculations.
Cannabidiol Improves Antioxidant Capacity and Reduces Inflammation in the Lungs of Rats with Monocrotaline-Induced Pulmonary Hypertension
Authors: Krzyżewska Anna , Baranowska-Kuczko Marta , Jastrząb Anna , Kasacka Irena , Kozłowska Hanna
Published: May 2022

Cannabidiol (CBD) is a plant-derived compound with antioxidant and anti-inflammatory properties. Pulmonary hypertension (PH) is still an incurable disease. CBD has been suggested to ameliorate monocrotaline (MCT)-induced PH, including reduction in right ventricular systolic pressure (RVSP), a vasorelaxant effect on pulmonary arteries and a decrease in the white blood cell count. The aim of our study was to investigate the effect of chronic administration of CBD (10 mg/kg daily for 21 days) on the parameters of oxidative stress and inflammation in the lungs of rats with MCT-induced PH. In MCT-induced PH, we found a decrease in total antioxidant capacity (TAC) and glutathione level (GSH), an increase in inflammatory parameters, e.g., tumor necrosis factor alpha (TNF-α), interleukin-1β (IL-1β), nuclear factor kappa B (NF-κB), monocyte chemoattractant protein-1 (MCP-1), and cluster of differentiation 68 (CD68), and the overexpression of cannabinoid receptors type 1 and 2 (CB1-Rs, CB2-Rs). Administration of CBD increased TAC and GSH concentrations, glutathione reductase (GSR) activity, and decreased CB1-Rs expression and levels of inflammatory mediators such as TNF-α, IL -1β, NF-κB, MCP-1 and CD68. In conclusion, CBD has antioxidant and anti-inflammatory effects in MCT-induced PH. CBD may act as an adjuvant therapy for PH, but further detailed preclinical and clinical studies are recommended to confirm our promising results.
Metabolite Profiling of “Green” Extracts of Cynara cardunculus subsp. scolymus, Cultivar “Carciofo di Paestum” PGI by 1H NMR and HRMS-Based Metabolomics
Authors: Cerulli Antonietta , Masullo Milena , Pizza Cosimo , Piacente Sonia
Published: May 2022

Globe artichoke (Cynara cardunculus L. var. scolymus L.), is a perennial plant widely cultivated in the Mediterranean area, known for its edible part named capitula or heads. Its functional properties are related to its high levels of polyphenolic compounds and inulin. “Carciofo di Paestum”, an Italian traditional cultivar, is a labeled PGI (Protected Geographical Indication) product of the Campania region, representing an important economic resource. So far, a few chemical investigations were performed on this cultivar, mainly focused on the analysis of methanol extracts. Due to the increasing use of food supplements, in this study, a comprehensive analysis of green extracts of “Carciofo di Paestum” PGI heads was performed. EtOH, EtOH: H2O (80:20, 70:30, 60:40) extracts, as well as infusions and decoctions prepared according to Pharmacopeia XII were analyzed by LC-ESI/QExactive/MS/MS. A total of 17 compounds corresponding to caffeoylquinic acid derivatives, phenolics, flavonoids, and terpenoids were identified. The extracts were further submitted to NMR analysis to highlight the occurrence of primary metabolites. Both LCMS and NMR data were analyzed by Principal Component Analysis (PCA), showing significant differences among the extraction methods. Moreover, 5-caffeoylquinic acid and 1,5-dicaffeoylquinic acid were quantified in the extracts by LC-ESI/QTrap/MS/MS using the Multiple Reaction Monitoring (MRM) method. Furthermore, the phenolic content, antioxidant activity, and α-glucosidase inhibitory activity of C. cardunculus var. scolymus “Carciofo di Paestum” extracts were evaluated.
Energetic Bio-Activation of Some Organic Molecules and Their Antioxidant Activity in the Pulp of the Moroccan Argan Tree «Argania spinosa L.»
Authors: Mourjane Ayoub , Hanine Hafida , El Adnany El Mustapha , Ouhammou Mourad , Hidar Nadia , Nabil Bouchra , Boumendjel Ahcène , Bitar Khalid , Mahrouz Mostafa
Published: May 2022

Argania spinosa L. Skeels is an emblematic tree in Morocco, known worldwide for its medicinal and nutritional value. Its fruits contain kernels used to prepare an edible oil, the leaves are used to feed livestock, and its wood is used as fuel. If the oil acquires high importance, the other components of the fruit of the argan are undervalued. Our objective is to invest the waste of the argan industry. Particularly, our study aimed to assess the effect of thermal activation of argan pulp on its therapeutic value, its phenolic profile and its functional and physicochemical properties. After heat treatment, the HPLC analysis for the average total phenolic content varied from 2% to 37%, depending on temperature. The antioxidant activity was increased with heat treatment. Higher values of antioxidant activity, polyphenol and pigment content were recorded at 70 °C. Functional properties analysis indicated that water solubility index and water absorption capacity were significantly affected by heat stress. Physicochemical analysis showed that moisture content, titratable acidity and soluble solids were affected.
Histone Deacetylase Inhibitory Activity and Antiproliferative Potential of New [6]-Shogaol Derivatives
Authors: Phaosiri Chanokbhorn , Yenjai Chavi , Senawong Thanaset , Senawong Gulsiri , Saenglee Somprasong , Somsakeesit La-or , Kumboonma Pakit
Published: May 2022

Twenty newly synthesized derivatives of [6]-shogaol (4) were tested for inhibitory activity against histone deacetylases. All derivatives showed moderate to good histone deacetylase inhibition at 100 µM with a slightly lower potency than the lead compound. Most potent inhibitors among the derivatives were the pyrazole products, 5j and 5k, and the Michael adduct with pyridine 4c and benzothiazole 4d, with IC50 values of 51, 65, 61 and 60 µM, respectively. They were further evaluated for isoform selectivity via a molecular docking study. Compound 4d showed the best selectivity towards HDAC3, whereas compound 5k showed the best selectivity towards HDAC2. The potential derivatives were tested on five cancer cell lines, including human cervical cancer (HeLa), human colon cancer (HCT116), human breast adenocarcinoma cancer (MCF-7), and cholangiocarcinoma (KKU100 and KKU-M213B) cells with MTT-based assay. The most active histone deacetylase inhibitor 5j exhibited the best antiproliferative activity against HeLa, HCT116, and MCF-7, with IC50 values of 8.09, 9.65 and 11.57 µM, respectively, and a selective binding to HDAC1 based on molecular docking experiments. The results suggest that these compounds can be putative candidates for the development of anticancer drugs via inhibiting HDACs.
Novel Oxime Synthesized from a Natural Product of Senecio nutans SCh. Bip. (Asteraceae) Enhances Vascular Relaxation in Rats by an Endothelium-Independent Mechanism
Authors: Palacios Javier , Paredes Adrián , Catalán Marcelo A. , Nwokocha Chukwuemeka R. , Cifuentes Fredi
Published: May 2022

Senecio nutans Sch. Bip. and its constituents are reported to have antihypertensive effects. We isolated metabolite–1, a natural compound from S. nutans (4-hydroxy-3-(isopenten-2-yl)-acetophenone), and synthesized novel oxime – 1 (4-hydroxy-3-(isopenten-2-yl)-acetophenoxime) to evaluate their effect on vascular reactivity. Compounds were purified (metabolite–1) or synthetized (oxime–1) and characterized using IR and NMR spectroscopy and Heteronuclear Multiple Quantum Coherence (HMQC). Using pharmacological agents such as phenylephrine (PE) and KCl (enhancing contraction), acetylcholine (ACh), L-NAME (nitric oxide (NO) and endothelial function), Bay K8644-induced CaV1.2 channel (calcium channel modulator), and isolated aortic rings in an organ bath setup, the possible mechanisms of vascular action were determined. Pre-incubation of aortic rings with 10−5 M oxime–1 significantly (p < 0.001) decreased the contractile response to 30 mM KCl. EC50 to KCl significantly (p < 0.01) increased in the presence of oxime–1 (37.72 ± 2.10 mM) compared to that obtained under control conditions (22.37 ± 1.40 mM). Oxime–1 significantly reduced (p < 0.001) the contractile response to different concentrations of PE (10−7 to 10−5 M) by a mechanism that decreases Cav1.2-mediated Ca2+ influx from the extracellular space and reduces Ca2+ release from intracellular stores. At a submaximal concentration (10−5 M), oxime–1 caused a significant relaxation in rat aorta even without vascular endothelium or after pre-incubate the tissue with L-NAME. Oxime–1 decreases the contractile response to PE by blunting the release of Ca2+ from intracellular stores and blocking of Ca2+ influx by channels. Metabolite–1 reduces the contractile response to KCl, apparently by reducing the plasma membrane depolarization and Ca2+ influx from the extracellular space. These acetophenone derivates from S. nutans (metabolite–1 and oxime–1) cause vasorelaxation through pathways involving an increase of the endothelial NO generation or a higher bioavailability, further highlighting that structural modification of naturally occurring metabolites can enhance their intended pharmacological functions.
A Multi-Omics Approach to Evaluate the Toxicity Mechanisms Associated with Silver Nanoparticles Exposure
Authors: Aragoneses-Cazorla Guillermo , Buendia-Nacarino M. Pilar , Mena Maria L. , Luque-Garcia Jose L.
Published: May 2022

Silver nanoparticles (AgNPs) are currently used in many different industrial, commercial and health fields, mainly due to their antibacterial properties. Due to this widespread use, humans and the environment are increasingly exposed to these types of nanoparticles, which is the reason why the evaluation of the potential toxicity associated with AgNPs is of great importance. Although some of the toxic effects induced by AgNPs have already been shown, the elucidation of more complete mechanisms is yet to be achieved. In this sense, and since the integration of metabolomics and transcriptomics approaches constitutes a very useful strategy, in the present study targeted and untargeted metabolomics and DNA microarrays assays have been combined to evaluate the molecular mechanisms involved in the toxicity induced by 10 nm AgNPs. The results have shown that AgNPs induce the synthesis of glutathione as a cellular defense mechanism to face the oxidative environment, while inducing the depletion of relevant molecules implicated in the synthesis of important antioxidants. In addition, it has been observed that AgNPs completely impair the intracellular energetic metabolism, especially affecting the production of adenosine triphosphate (ATP) and disrupting the tricarboxylic acids cycle. It has been demonstrated that AgNPs exposure also affects the glycolysis pathway. The effect on such pathway differs depending on the step of the cycle, which a significant increase in the levels of glucose as way to counterbalance the depleted levels of ATP.
Machine Learning Approach for Application-Tailored Nanolubricants’ Design
Authors: Kałużny Jarosław , Świetlicka Aleksandra , Wojciechowski Łukasz , Boncel Sławomir , Kinal Grzegorz , Runka Tomasz , Nowicki Marek , Stepanenko Oleksandr , Gapiński Bartosz , Leśniewicz Joanna , Błaszkiewicz Paulina , Kempa Krzysztof
Published: May 2022

The fascinating tribological phenomenon of carbon nanotubes (CNTs) observed at the nanoscale was confirmed in our numerous macroscale experiments. We designed and employed CNT-containing nanolubricants strictly for polymer lubrication. In this paper, we present the experiment characterising how the CNT structure determines its lubricity on various types of polymers. There is a complex correlation between the microscopic and spectral properties of CNTs and the tribological parameters of the resulting lubricants. This confirms indirectly that the nature of the tribological mechanisms driven by the variety of CNT–polymer interactions might be far more complex than ever described before. We propose plasmonic interactions as an extension for existing models describing the tribological roles of nanomaterials. In the absence of quantitative microscopic calculations of tribological parameters, phenomenological strategies must be employed. One of the most powerful emerging numerical methods is machine learning (ML). Here, we propose to use this technique, in combination with molecular and supramolecular recognition, to understand the morphology and macro-assembly processing strategies for the targeted design of superlubricants.
Dietary Intake, Nutritional Status and Sensory Profile in Children with Autism Spectrum Disorder and Typical Development
Authors: Mendive Dubourdieu Paula , Guerendiain Marcela
Published: May 2022

Children with autism spectrum disorder (ASD) may consume a restricted diet, whether due to sensory sensitivities or an adherence to a gluten and casein free (GCF) diet. Our objective was to analyze dietary intake, nutritional status, and sensory profile in children with and without ASD. A descriptive, cross-sectional study was carried out in 65 children (3–12 years, ASD = 35, typical development (TD) = 30). Short Sensory Profile and food frequency questionnaires were applied. All participants were categorized into normal weight and excess weight, typical sensory performance (TP), and probable + definite difference (PD + DD); and ASD group into GCF dieters (ASD-diet) and non-dieters (ASD-no diet). Children with ASD had a higher intake (gr or ml/d) of vegetable drinks (p = 0.001), gluten-free cereals (p = 0.003), and a lower intake of fish (p < 0.001) than TD ones. The ASD group showed a lower score in total sensory profile score (p < 0.001) than TD group. In the ASD group, those who had PD + DD in their sensory profile consumed fewer dairies (p = 0.019), and more cereals (p = 0.036) and protein foods (p = 0.034) than those with TP. These findings confirm the need to consider the neurodevelopment, sensory profile, and type of diet to improve the ASD child’s nutrition. Further long-term research is needed to explore their impact on health.
Diels–Alder Polar Reactions of Azaheterocycles: A Theoretical and Experimental Study
Authors: Ormachea Carla M. , Kneeteman María Nélida , Mancini Pedro M. E.
Published: May 2022

A number of azaheterocycles (pyridines, pyrroles and indoles) have been properly functionalized so that they can act as dienophiles in cycloaddition Diels–Alder processes. This work analyzed the reactive behavior of these molecules through mechanistic analysis and the regioselectivity of the process using computational calculation tools. Based on this knowledge, a study was conducted on the influences of reaction variables, in particular solvent, catalyst and microwave irradiation, to achieve favorable changes—shorter reaction times, more acceptable temperatures and better yields. Theoretical calculations allowed the development of predictive approaches, which were later experimentally corroborated. This analysis allowed us to make reasonable assumptions related to reaction mechanisms, which allowed—through the analysis of corresponding transition states—us to consider such reactions at the boundary between pericyclic and polar processes.
Prevalence of Toxoplasma gondii Antibodies in Individuals Occupationally Exposed to Livestock in Portugal
Authors: Almeida Daniela , Quirino João , Matos Pedro , Esteves Fernando , Cruz Rita , Vala Helena , Mesquita João R.
Published: May 2022

Toxoplasmosis is a worldwide zoonotic disease with different and complex routes for transmission. Workers occupationally exposed to animals or raw meat and viscera (WOE) may be at more risk than the general population, however conflicting data exist on the risk of developing toxoplasmosis due to this close contact. To add knowledge to this topic, the aim of the present study was to ascertain if WOE were more likely to be anti-T. gondii IgG seropositive than the general population as well as to study risk factors for T. gondii infection such as professional activity, gender, age, years of work and region. For this purpose, a case–control study using archived samples was setup. A total of 114 WOE (including pig slaughterhouse workers, butchers, veterinarians and farmers) and 228 anonymous volunteers (matched with cases by region, age and gender) were studied for anti-T. gondii IgG. A significantly higher anti-T. gondii IgG occurrence (p = 0.0282) was found in WOE when compared with the general population (72.8% [CI = 64.6–81.0%] versus 60.1% [CI = 54.6–65.6%]). Multivariate analysis showed that WOE of more than 50 years of age were more likely to be seropositive for anti-T. gondii IgG (aOR = 16.8; 95% CI 3.6–77.5; p < 0.001) than those aged less than 50 years. To our knowledge, this is the first case–control study on the prevalence of anti-T. gondii IgG in WOE in Portugal, also showing an added risk for T. gondii infection in those exposed to animals or their meat and viscera.
Inhibitor of Cysteine Protease of Plasmodium malariae Regulates Malapains, Endogenous Cysteine Proteases of the Parasite
Authors: Lê Hương Giang , Kang Jung-Mi , Võ Tuấn Cường , Nguyễn Thảo Dương , Jung Myunghwan , Shin Min Kyoung , Yoo Won Gi , Na Byoung-Kuk
Published: May 2022

Cysteine proteases of malaria parasites have been recognized as potential targets in antimalarial drug development as they play pivotal roles in the biology of these parasites. However, strict regulation of their activities is also necessary to minimize or prevent deleterious damage to the parasite and the host. Previously, we have characterized falcipain family cysteine proteases of Plasmodium malariae, named as malapains (MPs). MPs are active hemoglobinases. They also may participate in the release of merozoites from mature schizonts by facilitating remodeling of erythrocyte skeleton proteins. In this study, we identified and characterized an endogenous inhibitor of cysteine protease of P. malariae (PmICP). PmICP shared similar structural and biochemical properties with ICPs from other Plasmodium species. Recombinant PmICP showed a broad range of inhibitory activities against diverse cysteine proteases such as falcipain family enzymes (MP-2, MP-4, VX-3, VX-4, and FP-3), papain, and human cathepsins B and L, with stronger inhibitory activities against falcipain family enzymes. The inhibitory activity of PmICP was not affected by pH. PmICP was thermo-labile, resulting in rapid loss of its inhibitory activity at a high temperature. PmICP effectively inhibited hemoglobin hydrolysis by MPs and regulated maturation of MPs, suggesting its role as a functional regulator of MPs.
Polyphenolic Profile, Anti-Inflammatory and Anti-Nociceptive Activities of Some African Medicinal Plants
Authors: Kagambega Windmi , Belem Hadidjatou , Meda Roland Nâg-Tiéro , Koama Benjamin Kouliga , Drabo Anne-Flora , Kabore Jacques , Traore Amadou , Ouédraogo Georges Anicet , Benedec Daniela , Hanganu Daniela , Vlase Laurian , Vlase Ana-Maria , Voștinaru Oliviu , Mogoșan Cristina , Oniga Ilioara
Published: May 2022

The aim of the present study was to investigate the polyphenolic profile and the anti-inflammatory and anti-nociceptive activities of four traditionally used medicinal plants from Burkina Faso: Parkia biglobosa, Detarium microcarpum, Vitellaria paradoxa and Sclerocarya birrea. The analysis of the main phenolic compounds was performed by the HPLC-UV-MS method. The anti-inflammatory effect of the aqueous bark extracts was investigated by the λ-carrageenan-induced rat paw edema test. The anti-nociceptive activity was evaluated by the Randall–Selitto test under inflammatory conditions. Seven phenolic acids (gallic, protocatechuic, gentisic, vanillic, p-coumaric, ferulic, and syringic acids), and three flavonoids (catechin, epicatechin, and quercitrin) were identified in the plant samples. High contents of gallic acid were determined in the D. microcarpum, P. biglobosa and S. birrea extracts (190–300 mg/100 g), and V. paradoxa extract was the richest in epicatechin (173.86 mg/100 g). The λ-carrageenan-induced inflammation was significantly reduced (p < 0.001) by the P. biglobosa and D. microcarpum extracts (400 mg/kg p.o.). Under the inflammatory conditions, a significant anti-nociceptive activity (p < 0.001) was obtained after 2–3 h from the induction of inflammation. The effects of the tested extracts could be related to the presence of polyphenols and could be useful in the management of certain inflammatory diseases.
Vine Irrigation through Two Shoot Densities in Flavonoid and Non-Flavonoid Compounds in ‘Tempranillo’ Grapes
Authors: Moreno Daniel , Alarcón María Victoria , Uriarte David , Mancha Luis A. , Valdés María Esperanza
Published: May 2022

This study aims to analyze the effects of non-limiting irrigation (I) vs. rainfed (R) through two different shoot densities, high-load (H) and low-load (L), on vegetative growth, agronomic parameters, flavonoid and non-flavonoid polyphenol substances of cv. Tempranillo grown in a semi-arid climate during three consecutive seasons (2014–2016). Under these conditions, in the 2015 and 2016 seasons, irrigation showed significant increases in berry weight (14.7% and 13.4% in H and L, respectively, in 2015, and 35.6% and 23.5% in the same treatments in 2016) and yield (66.7% and 48.5 in 2015; 27.9% and 177.5% in 2016). Additionally, a general decreasing trend is observed in anthocyanins with the exception of peonidin derivates, almost all flavonol compounds, cinnamic acid and resveratrol values with different degrees and statistical significance depending on the shoot density of the vines. A slight variation is observed in 2014 in these parameters. On the other hand, no general trends are established either in flavanol compounds or hydroxybenzoic acid. Thus, the effect of irrigation depends on the parameter considered, the shoot density of the vine and the season considered.
Effects of Disinfection and Steam Sterilization on the Mechanical Properties of 3D SLA- and DLP-Printed Surgical Guides for Orthodontic Implant Placement
Authors: Pop Silvia Izabella , Dudescu Mircea , Mihali Sorin Gheorghe , Păcurar Mariana , Bratu Dana Cristina
Published: May 2022

Three-dimensional printed surgical guides increase the precision of orthodontic mini-implant placement. The purpose of this research was to investigate the effects of disinfection and of two types of autoclave sterilization on the mechanical properties of 3D printed surgical guides obtained via the SLA (stereolithography) and DLP (digital light processing) printing methods. A total of 96 standard specimens (48 SLA and 48 DLP) were printed to analyze the tensile and flexural properties of the materials. A total of 80 surgical guide (40 SLA and 40 DLP) specimens from each printing method were classified into four groups: CG (control group); G1, disinfected with 4% Gigasept (Gigasept Instru AF; Schülke & Mayer Gmbh, Norderstedt, Germany); G2, autoclave-sterilized (121 °C); and G3, autoclave-sterilized (134 °C). Significant differences in the maximum compressive load were determined between the groups comprising the DLP-(p < 0.001) and the SLA- (p < 0.001) printed surgical guides. Groups G2 (p = 0.001) and G3 (p = 0.029) showed significant parameter modifications compared with the CG. Disinfection with 4% Gigasept (Gigasept Instru AF; Schülke & Mayer Gmbh, Norderstedt, Germany) is suitable both for SLA- and DLP-printed surgical guides. Heat sterilization at both 121 °C and 134 °C modified the mechanical properties of the surgical guides.
Influence of Lignin Content and Pressing Time on Plywood Properties Bonded with Cold-Setting Adhesive Based on Poly (Vinyl Alcohol), Lignin, and Hexamine
Authors: Lubis Muhammad Adly Rahandi , Labib Ahmad , Sudarmanto  , Akbar Fazhar , Nuryawan Arif , Antov Petar , Kristak Lubos , Papadopoulos Antonios Nikolaos , Pizzi Antonio
Published: May 2022

The sustainability, performance, and cost of production in the plywood industry depend on wood adhesives and the hot-pressing process. In this study, a cold-setting plywood adhesive was developed based on polyvinyl alcohol (PVOH), high-purity lignin, and hexamine. The influence of lignin content (10%, 15%, and 20%) and cold-pressing time (3, 6, 12, and 24 h) on cohesion, adhesion, and formaldehyde emission of plywood were investigated through physical, chemical, thermal, and mechanical analyses. The increased lignin addition level lowered the solids content, which resulted in reduced average viscosity of the adhesive. As a result, the cohesion strength of the adhesive formulation with 10% lignin addition was greater than those of 15% and 20% lignin content. Markedly, the adhesive formulation containing a 15% lignin addition level exhibited superior thermo-mechanical properties than the blends with 10% and 20% lignin content. This study showed that 10% and 15% lignin content in the adhesive resulted in better cohesion strength than that with 20% lignin content. However, statistical analysis revealed that the addition of 20% lignin in the adhesive and using a cold-pressing time of 24 h could produce plywood that was comparable to the control polyurethane resins, i.e., dry tensile shear strength (TSS) value of 0.95 MPa, modulus of rupture (MOR) ranging from 35.8 MPa, modulus of elasticity (MOE) values varying from 3980 MPa, and close-to-zero formaldehyde emission (FE) of 0.1 mg/L, which meets the strictest emission standards. This study demonstrated the feasibility of fabricating eco-friendly plywood bonded with PVOH–lignin–hexamine-based adhesive using cold pressing as an alternative to conventional plywood.
3D Printing Manufacturing of Polydimethyl-Siloxane/Zinc Oxide Micro-Optofluidic Device for Two-Phase Flows Control
Authors: Stella Giovanna , Barcellona Matteo , Saitta Lorena , Tosto Claudio , Cicala Gianluca , Gulino Antonino , Bucolo Maide , Fragalà Maria Elena
Published: May 2022

Tailored ZnO surface functionalization was performed inside a polydimethyl-siloxane (PDMS) microchannel of a micro-optofluidic device (mofd) to modulate its surface hydrophobicity to develop a method for fine tuning the fluid dynamics inside a microchannel. The wetting behavior of the surface is of particular importance if two different phases are used for system operations. Therefore, the fluid dynamic behavior of two immiscible fluids, (i) air–water and (ii) air–glycerol/water in PDMS mofds and ZnO-PDMS mofds was investigated by using different experimental conditions. The results showed that air–glycerol/water fluid was always faster than air–water flow, despite the microchannel treatment: however, in the presence of ZnO microstructures, the velocity of the air–glycerol/water fluid decreased compared with that observed for the air–water fluid. This behavior was associated with the strong ability of glycerol to create an H-bond network with the exposed surface of the zinc oxide microparticles. The results presented in this paper allow an understanding of the role of ZnO functionalization, which allows control of the microfluidic two-phase flow using different liquids that undergo different chemical interactions with the surface chemical terminations of the microchannel. This chemical approach is proposed as a control strategy that is easily adaptable for any embedded micro-device.