bluuebunny/crossref_metadata_2025 huggingface dataset:
Sedation versus General Anesthesia for Cardiac Catheterization in Infants: A Retrospective, Monocentric, Cohort Evaluation
Authors: Mikus Marian , Welchowski Thomas , Schindler Ehrenfried , Schneider Martin , Mini Nathalie , Vergnat Mathieu
Published: December 2021

Background: Children with congenital heart disease require repeated catheterization. Anesthetic management influences the procedure and may influence outcome; however, data and recommendations are lacking for infants. We studied the influence of sedation versus general anesthesia (GA) on adverse events during catheterization for children <2 years old. Methods: We conducted a monocentric, retrospective study of all catheterization procedures (2008–2013). High-severity adverse event (HSAE) rates were compared using propensity-score-adjusted models, including pre- and intra-procedural variables. Results: 803 cases (619 patients) (368 (46%) GA, 435 (54%) sedation) with a mean age of 6.9 ± 6.1 months were studied. The conversion rate (GA after sedation) was 18 (4%). Hospital stay was 4.9 ± 4.0 and 4.1 ± 2.5 (p = 0.01) after GA or sedation, respectively. HSAE occurred in 75 (20%) versus 40 (9%) (p < 0.01) in GA versus sedation procedures, respectively. Risk factors (multivariable analysis) were older patients (p = 0.05), smaller weights (p < 0.01), palliated status (OR 3.2 [1.2–8.9], p = 0.02), two-ventricle physiology (OR 7.3 [2.7–20.2], p < 0.01), cyanosis (OR 4.6 [2.2–9.8], p < 0.01), pulmonary hypertension (OR 5.6 [2.0–15.5], p < 0.01), interventional catheterization (OR 1.8 [1.1–3.2], p = 0.02) and procedure-type risk category 4 (OR 28.9 [1.8–455.1], p = 0.02). Sedation did not increase the events rate and decreased the requirement for hemodynamic support (OR 5.2 [2.2–12.0], p < 0.01). Conclusion: Sedation versus GA for cardiac catheterization in children <2 years old is safe and effective with regard to HSAE. Sedation also decreases the requirement for hemodynamic support. Paradoxical effects (older age and two-ventricle physiology) on risk have been found for this specific age cluster.
Solid-State Hydrogen Fuel by PSII–Chitin Composite and Application to Biofuel Cell
Authors: Takahashi Yusuke , Iwahashi Akinari , Matsuo Yasumitsu , Kawakami Hinako
Published: December 2021

Biomaterials attract a lot of attention as next-generation materials. Especially in the energy field, fuel cells based on biomaterials can further develop clean next-generation energy and are focused on with great interest. In this study, solid-state hydrogen fuel (PSII–chitin composite) composed of the photosystem II (PSII) and hydrated chitin composite was successfully created. Moreover, a biofuel cell consisting of the electrolyte of chitin and the hydrogen fuel using the PSII–chitin composite was fabricated, and its characteristic feature was investigated. We found that proton conductivity in the PSII–chitin composite increases by light irradiation. This result indicates that protons generate in the PSII–chitin composite by light irradiation. It was also found that the biofuel cell using the PSII–chitin composite hydrogen fuel and the chitin electrolyte exhibits the maximum power density of 0.19 mW/cm2. In addition, this biofuel cell can drive an LED lamp. These results indicate that the solid-state biofuel cell based on the bioelectrolyte “chitin” and biofuel “the PSII–chitin composite” can be realized. This novel solid-state fuel cell will be helpful to the fabrication of next-generation energy.
Training the Trainers in Language Assessment via Mentoring: Building Expertise to Promote Language Assessment Literacy of Ukrainian University Teachers
Authors: Osidak Viktoriya , Drahinda Olha , Kvasova Olga
Published: December 2021

This mixed-methods study described a case of group-based informal mentoring, a conceptual model of which was aligned with an effective mentoring program found in the literature. The research questions that were addressed in the study included: (1) Will mentoring training, conducted within a short (1-month) period, enable inexperienced presenters to develop and conduct an effective workshop in LTA? (2) In what way(s) has mentoring training impacted the mentees as prospective trainers in LTA? The training was implemented by one mentor and two mentees, with the immediate purpose to organize a platform to disseminate the results of an Erasmus+ staff mobility program. The data were collected via a questionnaire, a self-efficacy scale and reflection logs about the mentoring procedure, as well as the workshop in LTA conducted by the mentees with the purpose to enhance Ukrainian university teachers’ LAL. The outcome of the training reported a high success level of the workshop among 37 attendees. In addition, the participants of the mentoring training (n = 2) demonstrated improvement in their organizational skills and professional growth. The mentoring framework proved to be an effective strategy for implementing study objectives and can be recognized as a successful model for the promotion of language assessment literacy.
Study of the Kinematics and Dynamics of the Ring Pack of a Diesel Engine by Means of the Construction of CFD Model in Conjunction with Mathematical Models
Authors: Orozco Lozano Wilman , Fonseca-Vigoya Marlen Del Socorro , Pabón-León Jhon
Published: December 2021

The present research aims to analyze the kinematic and dynamic behavior of the piston ring package. The development of the research was carried out through the development of numerical simulation by means of CFD. The analysis involves the three piston rings for the development of simulations that are closer to the real conditions of the engine since most of the investigations tend to focus on the study of the compression ring only. The simulation was reinforced by the incorporation of mathematical models, which allow determining the piston kinematics, the lubrication properties as a function of temperature, contact friction, and gas leakage. For the simulation, the CAD of the piston and the connecting rod—crankshaft mechanism was carried out, taking as a reference the geometry of a diesel engine. From the results obtained, it was possible to show that the first ring exhibits considerably greater radial and axial movement compared to the second and third piston rings. Additionally, it was shown that the first and second rings tend to maintain a negative tilt angle throughout the combustion cycle, which facilitates the advancement of the combustion gases over the piston grooves. Therefore, it is necessary to use strategies so that these rings tend to maintain a positive inclination. The analysis of the pressure conditions in the second ring are 150% and 480% higher compared to the conditions present in the third ring. Due to the above, it is necessary to focus efforts on the design of the profile of this ring. The study of energy losses showed that the combination of leakage gases and friction are responsible for a mechanical loss between 6–16%. In general, the development of the proposed methodology is a novel tool for the joint analysis of the kinematic characteristics, pressure conditions, and energy losses. In this way, integrated analysis of changes caused by piston ring designs is possible.
Microstrip Antenna with High Gain and Strong Directivity Loaded with Cascaded Hexagonal Ring-Shaped Metamaterial
Authors: Cui Cheng , Ren Yingnan , Tao Pengfei , Cao Binzhao
Published: December 2021

A new cascaded hexagonal ring-shaped metamaterial element is designed, which is arranged periodically and placed on the top of a traditional microstrip antenna to optimize the performance of the traditional antenna. The simulation results show that the new metamaterial microstrip antenna works at near 10 GHz, the impedance bandwidth is extended by 0.25 GHz and the gain is increased by 113.6% compared with a traditional microstrip antenna. Cross-shaped slots are etched on the ground plate of the microstrip antenna to widen the impedance bandwidth. It is shown that the impedance bandwidths at the resonant frequencies of 10 GHz and 14 GHz are broadened by 0.06 GHz and 0.56 GHz, respectively, and the gain of the slot-etched antenna is 13.454 dB. After the metamaterial unit structure is optimized, a nested double-hexagon ring-shaped electromagnetic metamaterial unit structure is proposed. The metamaterial slot microstrip antenna operates in two frequency bands of 10 GHz and 14 GHz; the relative bandwidths are increased to 16.9% and 19.4% with two working bandwidths of 1.74 GHz and 4.98 GHz, respectively; and the gain and directivity are also improved compared with the traditional microstrip antenna. The metamaterial unit structure proposed in this paper is of certain reference value for the variety of metamaterial and the application of metamaterial in traditional microstrip antennas.
Analysis of Factors Affecting the Circularity of Building Materials
Authors: Sagan Joanna , Sobotka Anna
Published: December 2021

A circular economy requires closed circuits of consumed resources. Construction generates approximately 50% of solid waste globally, which is difficult to manage. The aim of this article was to identify the factors that determine the development of circular construction in the context of waste minimisation in the life cycle of building structures. The identification of cause-and-effect relationships by means of the DEMATEL method allows the problems of construction waste management to be taken into account in the context of the development of sustainable construction and fulfilling the principles of the circular economy.
Test Evaluation Method for Lane Keeping Assistance System Using Dual Cameras
Authors: Lee Si-Ho , Lee Seon-Bong
Published: December 2021

Recently, the number of vehicles equipped with the Lane Keeping Assistance System (LKAS) is increasing. Therefore, safety evaluation to validate the LKAS has become more important. However, the actual vehicle test for safety evaluation has disadvantages such as the need for professional manpower, the use of expensive equipment, and environmental constraints. Therefore, we attempted to solve this problem using the dual cameras system with only inexpensive and accessible cameras. The optimal position of the dual cameras, image and focal length correction, and lane detection methods proposed in previous studies were used, and a theoretical equation for calculating the distance from the front wheel of the vehicle to the driving lane was proposed. For the actual vehicle testing, LKAS safety evaluation scenarios proposed in previous studies were used. According to the test results, the maximum error was 0.17 m, which indicated the reliability of the method because all errors in the tested scenarios exhibited similar trends and values. Therefore, through the use of the proposed theoretical equations in conjunction with inexpensive cameras, it is possible to reduce time, cost, and environmental problems in the development, vehicle application, and safety evaluation of LKAS components.
A Novel Angiotensin-I-Converting Enzyme (ACE) Inhibitory Peptide from Takifugu flavidus
Authors: Su Yongchang , Chen Shicheng , Cai Shuilin , Liu Shuji , Pan Nan , Su Jie , Qiao Kun , Xu Min , Chen Bei , Yang Suping , Liu Zhiyu
Published: December 2021

Alcalase, neutral protease, and pepsin were used to hydrolyze the skin of Takifugu flavidus. The T. flavidus hydrolysates (TFHs) with the maximum degree of hydrolysis (DH) and angiotensin-I-converting enzyme (ACE)-inhibitory activity were selected and then ultra-filtered to obtain fractions with components of different molecular weights (MWs) (<1, 1–3, 3–10, 10–50, and >50 kDa). The components with MWs < 1 kDa showed the strongest ACE-inhibitory activity with a half-maximal inhibitory concentration (IC50) of 0.58 mg/mL. Purification and identification using semi-preparative liquid chromatography, Sephadex G-15 gel chromatography, RP-HPLC, and LC–MS/MS yielded one new potential ACE-inhibitory peptide, PPLLFAAL (non-competitive suppression mode; IC50 of 28 μmmol·L−1). Molecular docking and molecular dynamics simulations indicated that the peptides should bind well to ACE and interact with amino acid residues and the zinc ion at the ACE active site. Furthermore, a short-term assay of antihypertensive activity in spontaneously hypertensive rats (SHRs) revealed that PPLLFAAL could significantly decrease the systolic blood pressure (SBP) and diastolic blood pressure (DBP) of SHRs after intravenous administration. These results suggested that PPLLFAAL may have potential applications in functional foods or pharmaceuticals as an antihypertensive agent.
Chemodiversity of Brevetoxins and Other Potentially Toxic Metabolites Produced by Karenia spp. and Their Metabolic Products in Marine Organisms
Authors: Hort Vincent , Abadie Eric , Arnich Nathalie , Dechraoui Bottein Marie-Yasmine , Amzil Zouher
Published: December 2021

In recent decades, more than 130 potentially toxic metabolites originating from dinoflagellate species belonging to the genus Karenia or metabolized by marine organisms have been described. These metabolites include the well-known and large group of brevetoxins (BTXs), responsible for foodborne neurotoxic shellfish poisoning (NSP) and airborne respiratory symptoms in humans. Karenia spp. also produce brevenal, brevisamide and metabolites belonging to the hemi-brevetoxin, brevisin, tamulamide, gymnocin, gymnodimine, brevisulcenal and brevisulcatic acid groups. In this review, we summarize the available knowledge in the literature since 1977 on these various identified metabolites, whether they are produced directly by the producer organisms or biotransformed in marine organisms. Their structures and physicochemical properties are presented and discussed. Among future avenues of research, we highlight the need for more toxin occurrence data with analytical techniques, which can specifically determine the analogs present in samples. New metabolites have yet to be fully described, especially the groups of metabolites discovered in the last two decades (e.g tamulamides). Lastly, this work clarifies the different nomenclatures used in the literature and should help to harmonize practices in the future.
Current Progress in Lipidomics of Marine Invertebrates
Authors: Imbs Andrey B. , Ermolenko Ekaterina V. , Grigorchuk Valeria P. , Sikorskaya Tatiana V. , Velansky Peter V.
Published: December 2021

Marine invertebrates are a paraphyletic group that comprises more than 90% of all marine animal species. Lipids form the structural basis of cell membranes, are utilized as an energy reserve by all marine invertebrates, and are, therefore, considered important indicators of their ecology and biochemistry. The nutritional value of commercial invertebrates directly depends on their lipid composition. The lipid classes and fatty acids of marine invertebrates have been studied in detail, but data on their lipidomes (the profiles of all lipid molecules) remain very limited. To date, lipidomes or their parts are known only for a few species of mollusks, coral polyps, ascidians, jellyfish, sea anemones, sponges, sea stars, sea urchins, sea cucumbers, crabs, copepods, shrimp, and squid. This paper reviews various features of the lipid molecular species of these animals. The results of the application of the lipidomic approach in ecology, embryology, physiology, lipid biosynthesis, and in studies on the nutritional value of marine invertebrates are also discussed. The possible applications of lipidomics in the study of marine invertebrates are considered.
Exploring the Potential of Icelandic Seaweeds Extracts Produced by Aqueous Pulsed Electric Fields-Assisted Extraction for Cosmetic Applications
Authors: Castejón Natalia , Thorarinsdottir Kristin Anna , Einarsdóttir Ragnhildur , Kristbergsson Kristberg , Marteinsdóttir Gudrún
Published: December 2021

A growing concern for overall health is driving a global market of natural ingredients not only in the food industry but also in the cosmetic field. In this study, a screening on potential cosmetic applications of aqueous extracts from three Icelandic seaweeds produced by pulsed electric fields (PEF) was performed. Produced extracts by PEF from Ulva lactuca, Alaria esculenta and Palmaria palmata were compared with the traditional hot water extraction in terms of polyphenol, flavonoid and carbohydrate content. Moreover, antioxidant properties and enzymatic inhibitory activities were evaluated by using in vitro assays. PEF exhibited similar results to the traditional method, showing several advantages such as its non-thermal nature and shorter extraction time. Amongst the three Icelandic species, Alaria esculenta showed the highest content of phenolic (mean value 8869.7 µg GAE/g dw) and flavonoid (mean value 12,098.7 µg QE/g dw) compounds, also exhibiting the highest antioxidant capacities. Moreover, Alaria esculenta extracts exhibited excellent anti-enzymatic activities (76.9, 72.8, 93.0 and 100% for collagenase, elastase, tyrosinase and hyaluronidase, respectively) for their use in skin whitening and anti-aging products. Thus, our preliminary study suggests that Icelandic Alaria esculenta-based extracts produced by PEF could be used as potential ingredients for natural cosmetic and cosmeceutical formulations.
Diterpenoids from the Brown Alga Rugulopteryx okamurae and Their Anti-Inflammatory Activity
Authors: Cuevas Belén , Arroba Ana I. , de los Reyes Carolina , Gómez-Jaramillo Laura , González-Montelongo M. Carmen , Zubía Eva
Published: December 2021

Brown algae of the Family Dictyotaceae produce an array of structurally diverse terpenoids, whose biomedical potential in the anti-inflammatory area has been scarcely explored. Herein, the chemical study of the alga Rugulopteryx okamurae has led to the isolation of ten new diterpenoids: rugukadiol A (1), rugukamurals A–C (2–4), and ruguloptones A–F (6–10). The structures of the new compounds were established by spectroscopic means. Compound 1 exhibits an unprecedented diterpenoid skeleton featuring a bridged tricyclic undecane system. Compounds 2–10 belong to the secospatane class of diterpenoids and differ by the oxygenated functions that they contain. In anti-inflammatory assays, the new diterpenoid 1 and the secospatanes 5 and 10 significantly inhibited the production of the inflammatory mediator NO in LPS-stimulated microglial cells Bv.2 and macrophage cells RAW 264.7. Moreover, compounds 1 and 5 were found to strongly inhibit the expression of Nos2 and the pro-inflammatory cytokine Il1b in both immune cell lines.
Shallow Hydrothermal Vent Bacteria and Their Secondary Metabolites with a Particular Focus on Bacillus
Authors: Gurunathan Revathi , Rathinam Arthur James , Hwang Jiang-Shiou , Dahms Hans-Uwe
Published: December 2021

Extreme environments are hostile for most organisms, but such habitats represent suitable settings to be inhabited by specialized microorganisms. A marine shallow-water hydrothermal vent field is located offshore in northeast Taiwan, near the shallow shore of the southeast of Kueishantao Island (121°55′ E, 24°50′ N). Research on extremophilic microorganisms makes use of the biotechnological potential associated with such microorganisms and their cellular products. With the notion that extremophiles are capable of surviving in extreme environments, it is assumed that their metabolites are adapted to function optimally under such conditions. As extremophiles, they need specific culture conditions, and only a fraction of species from the original samples are recovered in culture. We used different non-selective and selective media to isolate bacterial species associated with the hydrothermal vent crab Xenograpsus testudinatus and the sediments of its habitat. The highest number of colonies was obtained from Zobell marine agar plates with an overall number of 29 genetically distinct isolates. 16sRNA gene sequencing using the Sanger sequencing method revealed that most of the bacterial species belonged to the phylum Firmicutes and the class Bacilli. The present study indicates that hydrothermal vent bacteria and their secondary metabolites may play an important role for the reconstruction of the evolutionary history of the phylum Procaryota.
A Numerical Study on the Optimization of the Material Pressure of the Feeding System
Authors: Xu Ningning , Wang Xinwen , Yu Chi , Lin Dongdong , Zhao Guofeng
Published: December 2021

To solve the problem of high energy consumption caused by the large initial material pressure of the feeding system, the macroscopic and mesoscopic laws of the effect of the movement of the feeder on the material pressure were studied, and an optimization method of changing the initial position of the feeder to reduce the initial material pressure is proposed. First, the influence of the movement direction of the feeder on the material pressure was studied based on the discrete element method and verified by experiments. A single-factor experiment was designed to analyze the influence of particle size, material repose angle, and bin slope on material pressure, drawing the applicable conditions of the proposed method. On this basis, the influence of the movement state of the feeder on the change of material pressure during the descent process was studied. Then, the motion parameters of the selected feeder descending process were optimized by the response surface method. Finally, case analyses of the vibrating feeding system and the scraper feeding system were carried out. The Discrete Element Method (DEM) calculation results show that the movement of the feeder will cause different distributions and evolution of the force chain on the mesoscale, which will result in different changes in the macroscopic material pressure. The initial material pressure and the material resistance were reduced in the optimized feeding system.
Solid Bitumen Occurrences in the Pyrenean Basin (Southern France): A Case Study across the Pliensbachian–Toarcian Boundary
Authors: Fonseca Carolina , Mendonça Filho João Graciano , Lézin Carine , Sobrinho da Silva Frederico , Duarte Luís V.
Published: December 2021

The study across the Pliensbachian–Toarcian boundary sedimentary record in the Bizanet section of the Pyrenean Basin (southern France) revealed the presence of solid bitumen. This secondary organic matter was characterized using petrographic (transmitted and reflected white lights, incident blue light, and scanning electron microscopy) and geochemical (total organic carbon, total sulfur, and insoluble residue) techniques. The spore coloration index (SCI) was also determined. With the characterization of the optical properties and reflectance of the solid bitumen, it was possible to distinguish four different families (A–D) that display a wide range of reflectance values, from 0.21% to 2.64% BRr, i.e., from glance pitch to meso-impsonite. SCI values were higher than 9–9.5 (%Req > 1.50%). The comparison between the equivalent vitrinite reflectance values of the solid bitumen and SCI showed that this index and the solid bitumen D values are concordant, indicating that solid bitumen D can be considered an indigenous bitumen. The other three families of solid bitumen (A–C) are considered as having migrated. The laterally equivalent Pont de Suert section (South Pyrenean Zone) displays no trace of solid bitumen which points to the important role of the morphotectonic context of the Bizanet section in the migration of these hydrocarbons, namely, the presence of a major thrust fault in the eastern Corbières close to the section’s location.
Microstructural Evolution and High-Performance Giant Dielectric Properties of Lu3+/Nb5+ Co-Doped TiO2 Ceramics
Authors: Thanamoon Noppakorn , Chanlek Narong , Srepusharawoot Pornjuk , Swatsitang Ekaphan , Thongbai Prasit
Published: December 2021

Giant dielectric (GD) oxides exhibiting extremely large dielectric permittivities (ε’ > 104) have been extensively studied because of their potential for use in passive electronic devices. However, the unacceptable loss tangents (tanδ) and temperature instability with respect to ε’ continue to be a significant hindrance to their development. In this study, a novel GD oxide, exhibiting an extremely large ε’ value of approximately 7.55 × 104 and an extremely low tanδ value of approximately 0.007 at 103 Hz, has been reported. These remarkable properties were attributed to the synthesis of a Lu3+/Nb5+ co-doped TiO2 (LuNTO) ceramic containing an appropriate co-dopant concentration. Furthermore, the variation in the ε’ values between the temperatures of −60 °C and 210 °C did not exceed ±15% of the reference value obtained at 25 °C. The effects of the grains, grain boundaries, and second phase particles on the dielectric properties were evaluated to determine the dielectric properties exhibited by LuNTO ceramics. A highly dense microstructure was obtained in the as-sintered ceramics. The existence of a LuNbTiO6 microwave-dielectric phase was confirmed when the co-dopant concentration was increased to 1%, thereby affecting the dielectric behavior of the LuNTO ceramics. The excellent dielectric properties exhibited by the LuNTO ceramics were attributed to their inhomogeneous microstructure. The microstructure was composed of semiconducting grains, consisting of Ti3+ ions formed by Nb5+ dopant ions, alongside ultra-high-resistance grain boundaries. The effects of the semiconducting grains, insulating grain boundaries (GBs), and secondary microwave phase particles on the dielectric relaxations are explained based on their interfacial polarizations. The results suggest that a significant enhancement of the GB properties is the key toward improvement of the GD properties, while the presence of second phase particles may not always be effective.
Polymeric Scaffolds for Dental, Oral, and Craniofacial Regenerative Medicine
Authors: Wu David T. , Munguia-Lopez Jose G. , Cho Ye Won , Ma Xiaolu , Song Vivian , Zhu Zhiyue , Tran Simon D.
Published: December 2021

Dental, oral, and craniofacial (DOC) regenerative medicine aims to repair or regenerate DOC tissues including teeth, dental pulp, periodontal tissues, salivary gland, temporomandibular joint (TMJ), hard (bone, cartilage), and soft (muscle, nerve, skin) tissues of the craniofacial complex. Polymeric materials have a broad range of applications in biomedical engineering and regenerative medicine functioning as tissue engineering scaffolds, carriers for cell-based therapies, and biomedical devices for delivery of drugs and biologics. The focus of this review is to discuss the properties and clinical indications of polymeric scaffold materials and extracellular matrix technologies for DOC regenerative medicine. More specifically, this review outlines the key properties, advantages and drawbacks of natural polymers including alginate, cellulose, chitosan, silk, collagen, gelatin, fibrin, laminin, decellularized extracellular matrix, and hyaluronic acid, as well as synthetic polymers including polylactic acid (PLA), polyglycolic acid (PGA), polycaprolactone (PCL), poly (ethylene glycol) (PEG), and Zwitterionic polymers. This review highlights key clinical applications of polymeric scaffolding materials to repair and/or regenerate various DOC tissues. Particularly, polymeric materials used in clinical procedures are discussed including alveolar ridge preservation, vertical and horizontal ridge augmentation, maxillary sinus augmentation, TMJ reconstruction, periodontal regeneration, periodontal/peri-implant plastic surgery, regenerative endodontics. In addition, polymeric scaffolds application in whole tooth and salivary gland regeneration are discussed.
Adaptive Modelling of Mutated FMO3 Enzyme Could Unveil Unexplored Scenarios Linking Variant Haplotypes to TMAU Phenotypes
Authors: Alibrandi Simona , Nicita Fabiana , Donato Luigi , Scimone Concetta , Rinaldi Carmela , D’Angelo Rosalia , Sidoti Antonina
Published: December 2021

Background: Trimethylaminuria (TMAU) is a rare genetic disease characterized by the accumulation of trimethylamine (TMA) and its subsequent excretion trough main body fluids, determining the characteristic fish odour in affected patients. We realized an experimental study to investigate the role of several coding variants in the causative gene FMO3, that were only considered as polymorphic or benign, even if the available literature on them did not functionally explain their ineffectiveness on the encoded enzyme. Methods: Mutational analysis of 26 TMAU patients was realized by Sanger sequencing. Detected variants were, subsequently, deeply statistically and in silico characterized to determine their possible effects on the enzyme activity. To achieve this goal, a docking prediction for TMA/FMO3 and an unbinding pathway study were performed. Finally, a TMAO/TMA urine quantification by 1H-NMR spectroscopy was performed to support modelling results. Results: The FMO3 screening of all patients highlighted the presence of 17 variants distributed in 26 different haplotypes. Both non-sense and missense considered variants might impair the enzymatic kinetics of FMO3, probably reducing the interaction time between the protein catalytic site and TMA, or losing the wild-type binding site. Conclusions: Even if further functional assays will confirm our predictive results, considering the possible role of FMO3 variants with still uncertain effects, might be a relevant step towards the detection of novel scenarios in TMAU etiopathogenesis.
Adsorption Capacities of Iron Hydroxide for Arsenate and Arsenite Removal from Water by Chemical Coagulation: Kinetics, Thermodynamics and Equilibrium Studies
Authors: Inam Muhammad Ali , Khan Rizwan , Lee Kang Hoon , Akram Muhammad , Ahmed Zameer , Lee Ki Gang , Wie Young Min
Published: December 2021

Arsenic (As)-laden wastewater may pose a threat to biodiversity when released into soil and water bodies without treatment. The current study investigated the sorption properties of both As(III, V) oxyanions onto iron hydroxide (FHO) by chemical coagulation. The potential mechanisms were identified using the adsorption models, ζ-potential, X-ray diffraction (XRD) and Fourier Transform Infrared Spectrometry (FT-IR) analysis. The results indicate that the sorption kinetics of pentavalent and trivalent As species closely followed the pseudo-second-order model, and the adsorption rates of both toxicants were remarkably governed by pH as well as the quantity of FHO in suspension. Notably, the FHO formation was directly related to the amount of ferric chloride (FC) coagulant added in the solution. The sorption isotherm results show a better maximum sorption capacity for pentavalent As ions than trivalent species, with the same amount of FHO in the suspensions. The thermodynamic study suggests that the sorption process was spontaneously exothermic with increased randomness. The ζ-potential, FT-IR and XRD analyses confirm that a strong Fe-O bond with As(V) and the closeness of the surface potential of the bonded complex to the point of zero charge (pHzpc) resulted in the higher adsorption affinity of pentavalent As species than trivalent ions in most aquatic conditions. Moreover, the presence of sulfates, phosphates, and humic and salicylic acid significantly affected the As(III, V) sorption performance by altering the surface properties of Fe precipitates. The combined effect of charge neutralization, complexation, oxidation and multilayer chemisorption was identified as a major removal mechanism. These findings may provide some understanding regarding the fate, transport and adsorption properties onto FHO of As oxyanions in a complex water environment.
Recent Advances in C-F Bond Cleavage Enabled by Visible Light Photoredox Catalysis
Authors: Zhou Lei
Published: December 2021

The creation of new bonds via C-F bond cleavage of readily available per- or oligofluorinated compounds has received growing interest. Using such a strategy, a myriad of valuable partially fluorinated products can be prepared, which otherwise are difficult to make by the conventional C-F bond formation methods. Visible light photoredox catalysis has been proven as an important and powerful tool for defluorinative reactions due to its mild, easy to handle, and environmentally benign characteristics. Compared to the classical C-F activation that proceeds via two-electron processes, radicals are the key intermediates using visible light photoredox catalysis, providing new modes for the cleavage of C-F bonds. In this review, a summary of the visible light-promoted C-F bond cleavage since 2018 was presented. The contents were classified by the fluorosubstrates, including polyfluorinated arenes, gem-difluoroalkenes, trifluoromethyl arenes, and trifluoromethyl alkenes. An emphasis is placed on the discussion of the mechanisms and limitations of these reactions. Finally, my personal perspective on the future development of this rapidly emerging field was provided.
Evaluation of Sample Preparation Methods for Non-Target Screening of Organic Micropollutants in Urban Waters Using High-Resolution Mass Spectrometry
Authors: Huynh Nina , Caupos Emilie , Soares Peirera Caroline , Le Roux Julien , Bressy Adèle , Moilleron Régis
Published: December 2021

Non-target screening (NTS) has gained interest in recent years for environmental monitoring purposes because it enables the analysis of a large number of pollutants without predefined lists of molecules. However, sample preparation methods are diverse, and few have been systematically compared in terms of the amount and relevance of the information obtained by subsequent NTS analysis. The goal of this work was to compare a large number of sample extraction methods for the unknown screening of urban waters. Various phases were tested for the solid-phase extraction of micropollutants from these waters. The evaluation of the different phases was assessed by statistical analysis based on the number of detected molecules, their range, and physicochemical properties (molecular weight, standard recoveries, polarity, and optical properties). Though each cartridge provided its own advantages, a multilayer cartridge combining several phases gathered more information in one single extraction by benefiting from the specificity of each one of its layers.
Cynanchum auriculatum Royle ex Wight., Cynanchum bungei Decne. and Cynanchum wilfordii (Maxim.) Hemsl.: Current Research and Prospects
Authors: Wang Lu , Cai Fujie , Zhao Wei , Tian Jinli , Kong Degang , Sun Xiaohui , Liu Qing , Chen Yueru , An Ying , Wang Fulin , Liu Xue , Wu Yi , Zhou Honglei
Published: December 2021

Cynanchum auriculatum Royle ex Wight. (CA), Cynanchum bungei Decne. (CB) and Cynanchum wilfordii (Maxim.) Hemsl. (CW) are three close species belonging to the Asclepiadaceous family, and their dry roots as the bioactive part have been revealed to exhibit anti-tumor, neuroprotection, organ protection, reducing liver lipid and blood lipid, immunomodulatory, anti-inflammatory, and other activities. Until 2021, phytochemistry investigations have uncovered 232 compounds isolated from three species, which could be classified into C21-steroids, acetophenones, terpenoids, and alkaloids. In this review, the morphology characteristics, species identification, and the relationship of botany, extraction, and the separation of chemical constituents, along with the molecular mechanism and pharmacokinetics of bioactive constituents of three species, are summarized for the first time, and their phytochemistry, pharmacology, and clinical safety are also updated. Moreover, the direction and limitation of current research on three species is also discussed.
Taurochenodeoxycholic Acid Increases cAMP Content via Specially Interacting with Bile Acid Receptor TGR5
Authors: Qi Youchao , Shi Linkai , Duan Guozhen , Ma Yonggui , Li Peifeng
Published: December 2021

Taurochenodeoxycholic acid (TCDCA) is one of the main components of bile acids (BAs). TCDCA has been reported as a signaling molecule, exerting anti-inflammatory and immunomodulatory functions. However, it is not well known whether those effects are mediated by TGR5. This study aimed to elucidate the interaction between TCDCA and TGR5. To achieve this aim, first, the TGR5 eukaryotic vector was constructed. The expression level of TGR5 in 293T cells was determined by immunofluorescence, real-time quantitative PCR (RT-PCR, qPCR), and Western blot. The luciferase assay, fluorescence microscopy, and enzyme-linked immunosorbent assay (ELISA) were recruited to check the interaction of TCDCA with TGR5. TCDCA treatment in 293T cells resulted in TGR5 internalization coupled with a significant increase in cAMP luciferase expression. Our results demonstrated that TCDCA was able to bind to the TGR5 receptor and activate it. These results provide an excellent potential therapeutic target for TCDCA research. Moreover, these findings also provide theoretical evidence for further TCDCA research.
Synthesis of High-Performance Aqueous Fluorescent Nanodispersions for Textile Printing—A Study of Influence of Moles Ratio on Fastness Properties
Authors: Shenava Shruthi Manjunath , Kumar J. V. Shanmukha , Ganugula Rajkumar , Shaik Mohammed Rafi , Busquets Rosa , Khan Mohammad Rizwan
Published: December 2021

Aqueous fluorescent dispersions containing dyed acrylic-based copolymer nanoparticles possess significant credentials concerning green technology as compared to those prepared with the conventional vinyl-based monomers in textile and garment sectors; however, their essential textile fastness properties are yet to achieve. In the present work, a series of acrylic nanodispersions were synthesized by varying the moles ratio of benzyl methacrylate (BZMA), methyl methacrylate (MMA), and 2-hydroxypropyl methacrylate (HPMA) monomers. This was done to study their effect on dye aggregation and dyed polymer particles agglomeration. FT-IR spectral analysis showed the formation of polymer structures, while Malvern Analyzer, Transmission Electron Microscopy, and Scanning Electron Microscopy analysis suggested that the particles are spherical in shape and their size is less than 200 nm. The obtained nanodispersions were later applied on cotton fabrics for the evaluation of wash fastness and colour migration. Premier color scan spectrophotometer and zeta potential measurement studies suggested that colour migration of printed cotton fabrics increased with an increasing agglomeration of particles and it was also observed to increase with the moles ratio of MMA and zeta potentials.
ICP-MS Assessment of Essential and Toxic Trace Elements in Foodstuffs with Different Geographic Origins Available in Romanian Supermarkets
Authors: Voica Cezara , Nechita Constantin , Iordache Andreea Maria , Roba Carmen , Zgavarogea Ramona , Ionete Roxana Elena
Published: December 2021

The present study was conducted to quantify the daily intake and target hazard quotient of four essential elements, namely, chromium, cobalt, nickel, and copper, and four toxic trace elements, mercury, cadmium, lead, and arsenic. Thirty food items were assigned to five food categories (seeds, leaves, powders, beans, and fruits) and analyzed using inductively coupled plasma-mass spectrometry. Factor analysis after principal component extraction revealed common metal patterns in all foodstuffs, and using hierarchical cluster analysis, an association map was created to illustrate their similarity. The results indicate that the internationally recommended dietary allowance was exceeded for Cu and Cr in 27 and 29 foodstuffs, respectively. According to the tolerable upper level for Ni and Cu, everyday consumption of these elements through repeated consumption of seeds (fennel, opium poppy, and cannabis) and fruits (almond) can have adverse health effects. Moreover, a robust correlation between Cu and As (p < 0.001) was established when all samples were analyzed. Principal component analysis (PCA) demonstrated an association between Pb, As, Co, and Ni in one group and Cr, Cu, Hg, and Cd in a second group, comprising 56.85% of the total variance. For all elements investigated, the cancer risk index was within safe limits, highlighting that lifetime consumption does not increase the risk of carcinogens.
Thermodynamic Solution Properties of a Biodegradable Chelant (L-glutamic-N,N-diacetic Acid, L-GLDA) and Its Sequestering Ability toward Cd2+
Authors: Bretti Clemente , Di Pietro Roberto , Cardiano Paola , Gomez-Laserna Olivia , Irto Anna , Lando Gabriele , De Stefano Concetta
Published: December 2021

The thermodynamics of the interaction of L-glutamic-N,N-diacetic acid (GLDA) with protons was studied potentiometrically at different temperatures, ionic strengths and ionic media. Four protonation constants and corresponding enthalpy changes occurred at infinite dilution together with temperature and ionic strength coefficients. The medium effect was also interpreted in terms of the formation of weak complexes between the ligand and the cations of supporting electrolytes, resulting in a greater tendency of GLDA to chemically interact with Na+ rather than K+ and, in turn, (CH3)4N+. Formation constants of GLDA with Cd2+ were determined in NaCl(aq) at different ionic strength values. Five complex species were found, namely CdL2−, CdHL−, CdH2L0(aq), Cd2L0(aq), and Cd(OH)L3−, whose formation constant values at infinite dilution were log β = 12.68, 17.61, 20.76, 17.52, and 1.77, respectively. All the species results were relevant in the pH range of natural waters, although the Cd2L0(aq) was observed only for CCd ≥ CGLDA and concentrations of >0.1 mmol dm−3. The sequestering ability of GLDA toward Cd2+, evaluated by means of pL0.5, was maximum at pH~10, whereas the presence of a chloride containing a supporting electrolyte exerted a negative effect. Among new generation biodegradable ligands, GLDA was the most efficient in Cd2+ sequestration.
Regulators of Starch Biosynthesis in Cereal Crops
Authors: Li Ruiqing , Tan Yuanyuan , Zhang Huali
Published: December 2021

Starch is the main food source for human beings and livestock all over the world, and it is also the raw material for production of industrial alcohol and biofuel. A considerable part of the world’s annual starch production comes from crops and their seeds. With the increasing demand for starch from food and non-food industries and the growing loss of arable land due to urbanization, understanding starch biosynthesis and its regulators is essential to produce the desirable traits as well as more and better polymers via biotechnological approaches in cereal crops. Because of the complexity and flexibility of carbon allocation in the formation of endosperm starch, cereal crops require a broad range of enzymes and one matching network of regulators to control the providential functioning of these starch biosynthetic enzymes. Here, we comprehensively summarize the current knowledge about regulatory factors of starch biosynthesis in cereal crops, with an emphasis on the transcription factors that directly regulate starch biosynthesis. This review will provide new insights for the manipulation of bioengineering and starch biosynthesis to improve starch yields or qualities in our diets and in industry.
Design, Characterization and Applications of Functional Nanomaterials
Authors: Fabbiani Marco , Cesano Federico , Pellegrino Francesco , Negri Chiara
Published: December 2021

Nanomaterials are commonly defined as particles existing in nature or artificially manufactured materials that have one or more external dimensions in the 1–100 nm range [...]
Antimicrobial Properties of Chitosan and Chitosan Derivatives in the Treatment of Enteric Infections
Authors: Yan Dazhong , Li Yanzhen , Liu Yinling , Li Na , Zhang Xue , Yan Chen
Published: December 2021

Antibiotics played an important role in controlling the development of enteric infection. However, the emergence of antibiotic resistance and gut dysbiosis led to a growing interest in the use of natural antimicrobial agents as alternatives for therapy and disinfection. Chitosan is a nontoxic natural antimicrobial polymer and is approved by GRAS (Generally Recognized as Safe by the United States Food and Drug Administration). Chitosan and chitosan derivatives can kill microbes by neutralizing negative charges on the microbial surface. Besides, chemical modifications give chitosan derivatives better water solubility and antimicrobial property. This review gives an overview of the preparation of chitosan, its derivatives, and the conjugates with other polymers and nanoparticles with better antimicrobial properties, explains the direct and indirect mechanisms of action of chitosan, and summarizes current treatment for enteric infections as well as the role of chitosan and chitosan derivatives in the antimicrobial agents in enteric infections. Finally, we suggested future directions for further research to improve the treatment of enteric infections and to develop more useful chitosan derivatives and conjugates.
ThermoSlope: A Software for Determining Thermodynamic Parameters from Single Steady-State Experiments
Authors: Lund Bjarte Aarmo , Brandsdal Bjørn Olav
Published: December 2021

The determination of the temperature dependence of enzyme catalysis has traditionally been a labourious undertaking. We have developed a new approach to the classical Arrhenius parameter estimation by fitting the change in velocity under a gradual change in temperature. The evaluation with a simulated dataset shows that the approach is valid. The approach is demonstrated as a useful tool by characterizing the Bacillus pumilus LipA enzyme. Our results for the lipase show that the enzyme is psychrotolerant, with an activation energy of 15.3 kcal/mol for the chromogenic substrate para-nitrophenyl butyrate. Our results demonstrate that this can produce equivalent curves to the traditional approach while requiring significantly less sample, labour and time. Our method is further validated by characterizing three α-amylases from different species and habitats. The experiments with the α-amylases show that the approach works over a wide range of temperatures and clearly differentiates between psychrophilic, mesophilic and thermophilic enzymes. The methodology is released as an open-source implementation in Python, available online or used locally. This method of determining the activation parameters can make studies of the temperature dependence of enzyme catalysis more widely adapted to understand how enzymes have evolved to function in extreme environments. Moreover, the thermodynamic parameters that are estimated serve as functional validations of the empirical valence bond calculations of enzyme catalysis.
Modified Arrhenius Equation in Materials Science, Chemistry and Biology
Authors: Kohout Jan
Published: December 2021

The Arrhenius plot (logarithmic plot vs. inverse temperature) is represented by a straight line if the Arrhenius equation holds. A curved Arrhenius plot (mostly concave) is usually described phenomenologically, often using polynomials of T or 1/T. Many modifications of the Arrhenius equation based on different models have also been published, which fit the experimental data better or worse. This paper proposes two solutions for the concave-curved Arrhenius plot. The first is based on consecutive A→B→C reaction with rate constants k1 ≪ k2 at higher temperatures and k1 ≫ k2 (or at least k1 > k2) at lower temperatures. The second is based on the substitution of the temperature T the by temperature difference T − T0 in the Arrhenius equation, where T0 is the maximum temperature at which the Arrheniusprocess under study does not yet occur.