bluuebunny/crossref_metadata_2025 huggingface dataset:
Association between Obstetric Complications and Intravitreal Anti-Vascular Endothelial Growth Factor Agents or Intravitreal Corticosteroids
Authors: Ben Ghezala Inès , Mariet Anne-Sophie , Benzenine Eric , Bardou Marc , Bron Alain Marie , Gabrielle Pierre-Henry , Baudin Florian , Quantin Catherine , Creuzot-Garcher Catherine
Published: August 2022

This nationwide population-based cohort study aimed to describe the use of intravitreal injections (IVTs) of anti-vascular endothelial growth factor (anti-VEGF) agents and corticosteroids in pregnant women in France and to report on the incidence of obstetric and neonatal complications. All pregnant women in France who received any anti-VEGF or corticosteroid IVT during pregnancy or in the month preceding pregnancy from 1 January 2009 to 31 December 2018 were identified in the national medico-administrative databases. Between 2009 and 2018, there were 5,672,921 IVTs performed in France. Among these IVTs, 228 anti-VEGF or corticosteroid IVTs were administered to 139 women during their pregnancy or in the month preceding their pregnancy. Spontaneous abortion or the medical termination of pregnancy occurred in 10 women (16.1%) who received anti-VEGF agents and in one (3.1%) of the women who received corticosteroids (p = 0.09). This is the first national cohort study of pregnant women treated with anti-VEGF or corticosteroid IVTs. We found a high incidence of obstetric complications in pregnant women treated with anti-VEGF or corticosteroid IVTs but could not demonstrate a statistically significant association between the intravitreal agents and these complications. These agents should continue to be used with great caution in pregnant women.
Neck Lymph Node Recurrence in HNC Patients Might Be Predicted before Radiotherapy Using Radiomics Extracted from CT Images and XGBoost Algorithm
Authors: Tsai Yi-Lun , Chen Shang-Wen , Kao Chia-Hung , Cheng Da-Chuan
Published: August 2022

The five-year overall survival rate of patients without neck lymph node recurrence is over 50% higher than those with lymph node metastasis. This study aims to investigate the prognostic impact of computed tomogram (CT)-based radiomics on the outcome of metastatic neck lymph nodes in patients with head and neck cancer (HNC) receiving definitive radiotherapy or chemoradiotherapy for organ preservation. The pretreatment 18F-FDG PET/CT of 79 HNC patients was retrospectively analyzed with radiomics extractors. The imbalanced data was processed using two techniques: over-sampling and under-sampling, after which the prediction model was established with a machine learning model using the XGBoost algorithm. The imbalanced dataset strategies slightly decreased the specificity but greatly improved the sensitivity. To have a higher chance of predicting neck cancer recurrence, however, clinical data combined with CT-based radiomics provides the best prediction effect. The original dataset performed was as follows: accuracy = 0.76 ± 0.07, sensitivity = 0.44 ± 0.22, specificity = 0.88 ± 0.06. After we used the over-sampling technique, the accuracy, sensitivity, and specificity values were 0.80 ± 0.05, 0.67 ± 0.11, and 0.84 ± 0.05, respectively. Furthermore, after using the under-sampling technique, the accuracy, sensitivity, and specificity values were 0.71 ± 0.09, 0.73 ± 0.13, and 0.70 ± 0.13, respectively. The outcome of metastatic neck lymph nodes in patients with HNC receiving radiotherapy for organ preservation can be predicted based on the results of machine learning. This way, patients can be treated alternatively. A further external validation study is required to verify our findings.
Accuracy of Three-Dimensional Soft-Tissue Prediction Considering the Facial Aesthetic Units Using a Virtual Planning System in Orthognathic Surgery
Authors: Awad Daniel , Reinert Siegmar , Kluba Susanne
Published: August 2022

Virtual surgical planning (VSP) is commonly used in orthognathic surgery. A precise soft-tissue predictability would be a helpful tool, for determining the correct displacement distances of the maxilla and mandible. This study aims to evaluate the soft-tissue predictability of the VSP software IPS CaseDesigner® (KLS Martin Group, Tuttlingen, Germany). Twenty patients were treated with bimaxillary surgery and were included in the study. The soft-tissue simulation, done by the VSP was exported as STL files in the engineering software Geomagic Control XTM (3D systems, RockHill, SC, USA). Four months after surgery, a 3D face scan of every patient was performed and compared to the preoperative simulation. The quality of the soft-tissue simulation was validated with the help of a distance map. This distance map was calculated using the inter-surface distance algorithm between the preoperative simulation of the soft-tissue and the actual scan of the postoperative soft-tissue surface. The prediction of the cranial parts of the face (upper cheek, nose, upper lip) was more precise than the prediction of the lower areas (lower cheek, lower lip, chin). The percentage of correctly predicted soft-tissue for the face in total reached values from 69.4% to 96.0%. The VSP system IPS CaseDesigner® (KLS Martin Group; Tuttlingen, Germany) predicts the patient’s post-surgical soft-tissue accurately. Still, this simulation has to be seen as an approximation, especially for the lower part of the face, and continuous improvement of the underlying algorithm is needed for further development.
Thermomechanical and Alkaline Peroxide Mechanical Pulping of Lignocellulose Residue Obtained from the 2-Furaldehyde Production Process
Authors: Puke Maris , Godina Daniela , Brazdausks Prans , Rizikovs Janis , Fridrihsone Velta
Published: August 2022

The necessity for the reduction in greenhouse gas emissions, the growing demand for the improvement of biorefinery technologies, and the development of new biorefining concepts oblige us as a society, and particularly us, as scientists, to develop novel biorefinery approaches. The purpose of this study is to thoroughly evaluate the leftover lignocellulosic (LC) biomass obtained after the manufacture of 2-furaldehyde, with the intention of further valorizing this resource. This study demonstrates that by using thermomechanical and alkaline peroxide mechanical pulping techniques, birch wood chips can be used in the new biorefinery processing chain for the production of 2-furaraldehyde, acetic acid, and cellulose pulp. In addition, the obtained lignocellulosic residue is also characterized. To produce a lignocellulosic material without pentoses and with the greatest amount of cellulose fiber preserved for future use, a novel bench-scale reactor technology is used. Studies were conducted utilizing orthophosphoric acid as a catalyst to deacetylate and dehydrate pentose monosaccharides found in birch wood, converting them to 2-furaldehyde and acetic acid. The results showed that, with the least amount of admixtures, the yields of the initial feedstock’s oven-dried mass (o.d.m.) of 2-furaldehyde, acetic acid, and lignocellulose residue ranged from 0.04 to 10.84%, 0.51 to 6.50%, and 68.13 to 98.07%, respectively, depending on the pretreatment conditions utilized. The ideal 2-furaldehyde production conditions with reference to the purity and usability of cellulose in residual lignocellulosic material were also discovered through experimental testing. The experiment that produced the best results in terms of 2-furaldehyde yield and purity of residual lignocellulose used a catalyst concentration of 70%, a catalyst quantity of 4%, a reaction temperature of 175 °C, and a treatment period of 60 min. It was possible to create pulp with a tensile index similar to standard printing paper by mechanically pulping the necessary LC residue with alkaline peroxide, proving that stepwise 2-furaldehyde production may be carried out with subsequent pulping to provide a variety of value-added goods.
Supercritical CO2-Induced Evolution of Alkali-Activated Slag Cements
Authors: Reddy Kamasani Chiranjeevi , Seo Joonho , Yoon H. N. , Kim Seonhyeok , Kim G. M. , Son H. M. , Park Seunghee , Park Solmoi
Published: August 2022

The phase changes in alkali-activated slag samples when exposed to supercritical carbonation were evaluated. Ground granulated blast furnace slag was activated with five different activators. The NaOH, Na2SiO3, CaO, Na2SO4, and MgO were used as activators. C-S-H is identified as the main reaction product in all samples along with other minor reaction products. The X-ray diffractograms showed the complete decalcification of C-S-H and the formation of CaCO3 polymorphs such as calcite, aragonite, and vaterite. The thermal decomposition of carbonated samples indicates a broader range of CO2 decomposition. Formation of highly cross-linked aluminosilicate gel and a reduction in unreacted slag content upon carbonation is observed through 29Si and 27Al NMR spectroscopy. The observations indicate complete decalcification of C-S-H with formation of highly cross-linked aluminosilicates upon sCO2 carbonation. A 20–30% CO2 consumption per reacted slag under supercritical conditions is observed.
Microstructures and Properties Investigation on DP980 Dual-Phase Steel CMT + P Welded Joints
Authors: Liu Yan , Liu Zhaozhen , Chen Yongman , He Chunlin , Liu Ao , Liu Xiaoang
Published: August 2022

The increasing demand for the lightweight production of advanced high-strength steel puts forward higher requirements for the quality of welded joint forming. The common CMT welding process has certain limitations and is difficult to meet the needs of lightweight manufacturing. In this study, the CMT + P welding technology was used to weld the DP980 dual-phase steel plate with 1.2 mm thickness. The ER120S-G welding wire was used as the filling material to conduct a 70° angle lap welding experiment. The effects of wire feeding speed (3 m/min~5 m/min) and welding speed (350 mm/min~600 mm/min) on the forming, microstructures, and mechanical properties of DP980 dual-phase steel welded joints were analyzed. The results show that the CMT + P welding process can produce lap weldments with good formability and properties. The welded joints can be divided into the weld zone, the HAZ, and the base metal zone, where the HAZ can be divided into the coarse-grained zone and the softened zone. The role of the elements Ni and Si is to promote the production of martensite and to increase the ferrite strength in welded joints. As the wire feeding speed increases, the grain size of the coarse grain zone in the HAZ increases from 31.90 μm to 50.93 μm; while the welding speed increases, the grain size of the coarse grain zone decreases from 45.48 μm to 35.73 μm. The average microhardness of the weld zone is 420 HV. In contrast, the average microhardness of the softening zone in HAZ is reduced to 250 HV. When the wire feeding speed is 4 m/min and the welding speed is 550 mm/min, the tensile properties of the weldment are optimal, its tensile strength can reach 973 MPa, and the tensile fracture is ductile fracture.
Predicting the Durability of Solid Fired Bricks Using NDT Electroacoustic Methods
Authors: Bartoň Vojtěch , Dvořák Richard , Cikrle Petr , Šnédar Jaroslav
Published: August 2022

Historical buildings and monuments are largely made of brickwork. These buildings form the historical and artistic character of cities, and how we look after them is a reflection of our society. When assessing ceramic products, great emphasis is placed on their mechanical properties, whilst their durability is often neglected. However, the durability or resistance to weathering of masonry elements is just as important as their mechanical properties. Therefore, this work deals with predicting the durability of solid-fired bricks before they are used when reconstructing monuments and historical buildings. Durability prediction is assessed by identifying defects in the material’s internal structure. These faults may not be visible on the element’s surface and are difficult to detect. For this purpose, non-destructive electroacoustic methods, such as the resonant pulse method or the ultrasonic pulse method, were used. Based on an analysis of the initial and residual mechanical properties after freezing cycles, four durability classes of solid-fired bricks were determined. This work aimed to find a way to predict the durability (lifetime) of an anonymous solid-fired brick, expressed in terms of the number of freeze cycles the brick would last, based on non-destructive measurements.
Structural Characterization and Rheological and Antioxidant Properties of Novel Polysaccharide from Calcareous Red Seaweed
Authors: Hentati Faiez , Tounsi Latifa , Pierre Guillaume , Barkallah Mohamed , Ursu Alina Violeta , Ben Hlima Hajer , Desbrières Jacques , Le Cerf Didier , Fendri Imen , Michaud Philippe , Abdelkafi Slim
Published: August 2022

A novel sulfated xylogalactan (JASX) was extracted and purified from the rhodophyceae Jania adhaerens. JASX was characterized by chromatography (GC/MS-EI and SEC/MALLS) and spectroscopy (ATR-FTIR and 1H/13C NMR) techniques. Results showed that JASX was constituted by repeating units of (→3)-β-d-Galp-(1,4)-3,6-α-l-AnGalp-(1→)n and (→3)-β-d-Galp-(1,4)-α-l-Galp-(1→)n substituted on O-2 and O-3 of the α-(1,4)-l-Galp units by methoxy and/or sulfate groups but also on O-6 of the β-(1,3)-d-Galp mainly by β-xylosyl side chains and less by methoxy and/or sulfate groups. The Mw, Mn, Đ, [η] and C* of JASX were respectively 600 and 160 kDa, 3.7, 102 mL.g−1 and 7.0 g.L−1. JASX exhibited pseudoplastic behavior influenced by temperature and monovalent salts and highly correlated to the power-law model and the Arrhenius relationship. JASX presented thixotropic characteristics, a gel-like viscoelastic behavior and a great viscoelasticity character. JASX showed important antioxidant activities, outlining its potential as a natural additive to produce functional foods.
Quantification of a Sulfated Marine-Inspired Antifouling Compound in Several Aqueous Matrices: Biodegradation Studies and Leaching Assays from Polydimethylsiloxane Coatings
Authors: Vilas-Boas Cátia , Gonçalves Virgínia , Marco Paolo De , Sousa Emília , Pinto Madalena , Silva Elisabete R. , Tiritan Maria Elizabeth , Correia-da-Silva Marta
Published: August 2022

The development of marine-inspired compounds as non-toxic antifouling (AF) agents has been pursued in the last years. Sulfur is the third most common element in seawater. Sulfur is present in oxygenated seawater as sulfate anion (SO42−), which is the most stable combination of sulfur in seawater, and several promising AF secondary metabolites with sulfate groups have been described. However, sulfated compounds proved to be an analytical challenge to quantify by HPLC. Taking these facts into consideration, this work presents the development and validation of a method for the quantification of gallic acid persulfate (GAP) in seawater and ultrapure water matrix, based on hydrophilic interaction liquid chromatography (HILIC). This method was used to evaluate GAP stability following several abiotic and biotic degradation assays, and to quantify its release in seawater from room-temperature-vulcanizing polydimethylsiloxane commercial coating. GAP was very stable in several water matrices, even at different pH values and in the presence/absence of marine microorganisms and presented a leaching value lower than 0.5%. This work discloses HILIC as an analytical method to overcome the difficulties in quantifying sulfated compounds in water matrices and highlights the potential of GAP as a promising long-lasting coating.
Rapid Administration of Antibiotics for Reducing Fever Days in Patients Receiving Hematopoietic Stem Cell Transplantation
Authors: Lee Ming-Yang , Chang Yu-Ju , Lu Yin-Che , Kuo Chin-Ho , Kuo Ya-Hui , Tzeng Shu-Chien , Hsu Gwo-Jong
Published: August 2022

Background and Objectives: Neutropenic fever (NF) is a major cause of mortality and morbidity in patients undergoing hematopoietic stem cell transplantation (HSCT). To date, no study has discussed the relationship of fever days in HSCT with the time between recording the fever and administering antibiotics. This study aimed to examine the association between fever days in HSCT and the time interval between recording the fever and intravenous (IV) antibiotics to the febrile neutropenia patient. Materials and Methods: A total of 22 patients who developed NF after HSCT in one hospital were analyzed. Patients who received IV antibiotics injection within 30 min were categorized in group A and those who received the injection after 30 min were categorized in group B. Fever was defined by an attack with an oral temperature of 38.3 °C. Patients’ characteristics and possible risk factors were recorded and analyzed. Results: Groups A and B had 14 and 8 patients, respectively. Patient characteristics, including age, diagnosis, sex, and antibiotics level, were similar between the two groups. The median duration of fever days was 1.5 (range, 1–5) in group A and 6.5 (range, 1–14) in group B (p = 0.003). Multivariant analysis of possible independent impact factors of “fever days in HSCT” was performed. The odds ratio of “antibiotics given time” was 4.00 (95% confidence interval [CI] = 2.26 to 7.22, p = 0.001). The “antibiotics level” did not affect the NF period (odds ratio = −0.80, 95% CI = −2.40 to 1.07, p = 0.453). Conclusions: Rapid IV administration of antibiotics (<30 min after fever attack) can reduce the fever days in patients undergoing HSCT.
Fabrication of Mg/Al Clad Strips by Direct Cladding from Molten Metals
Authors: Feng Gengyan , Watari Hisaki , Haga Toshio
Published: August 2022

This work describes the fabrication of AZ91D/A5052 clad strips by direct cladding from molten metals using a horizontal twin roll caster. Subsequently, the effects of roll speed, pouring sequence, and solidification length on the AZ91D/A5052 clad strips were investigated. The AZ91D/A5052 clad strips with a thickness of 4.9 mm were successfully cast at a roll speed of 9 m/min and with a 5 mm roll gap. The cladding ratio of AZ91D/A5052 was about 1:1. The single-roll casting results showed that the experimental solidification constants of AZ91D and A5052 were 62 mm/min0.5 and 34 mm/min0.5, respectively. The twin-roll casting results showed that the effect of rolling speed on the surface condition of A5052 was greater than that of AZ91D. In addition, the high melting point A5052 alloy poured into the lower nozzle could solve the remelting problem of the low melting point AZ91D. Moreover, extending the upper solidification distance could reduce the generation of intermetallic compounds. The EDS analysis results showed no voids at the bonding interface, while three intermetallic compound layers were also found at the bonding interface of AZ91D/A5052 strips, namely α-Mg + Mg17Al12, Mg17Al12, and Al3Mg2. This study could be instructive for dissimilar sheet metal bonding.
Nuclear Receptor Pathways Mediating the Development of Boar Taint
Authors: Bone Christine , Squires E. James
Published: August 2022

The nuclear receptors PXR, CAR, and FXR are activated by various ligands and function as transcription factors to control the expression of genes that regulate the synthesis and metabolism of androstenone and skatole. These compounds are produced in entire male pigs and accumulate in the fat to cause the development of a meat quality issue known as boar taint. The extent of this accumulation is influenced by the synthesis and hepatic clearance of androstenone and skatole. For this reason, PXR, CAR, and FXR-mediated signaling pathways have garnered interest as potential targets for specialized treatments designed to reduce the development of boar taint. Recent research has also identified several metabolites produced by gut microbes that act as ligands for these nuclear receptors (e.g., tryptophan metabolites, short-chain fatty acids, bile acids); however, the connection between the gut microbiome and boar taint development is not clear. In this review, we describe the nuclear receptor signaling pathways that regulate the synthesis and metabolism of boar taint compounds and outline the genes involved. We also discuss several microbial-derived metabolites and dietary additives that are known or suspected nuclear receptor ligands and suggest how these compounds could be used to develop novel treatments for boar taint.
Optical Redox Imaging of Ex Vivo Hippocampal Tissue Reveals Age-Dependent Alterations in the 5XFAD Mouse Model of Alzheimer’s Disease
Authors: Xu He N. , Gourmaud Sarah , Podsednik Allison , Li Xiaofan , Zhao Huaqing , Jensen Frances E. , Talos Delia M. , Li Lin Z.
Published: August 2022

A substantial decline in nicotinamide adenine dinucleotide (NAD) has been reported in brain tissue homogenates or neurons isolated from Alzheimer’s disease (AD) models. NAD, together with flavin adenine dinucleotide (FAD), critically supports energy metabolism and maintains mitochondrial redox homeostasis. Optical redox imaging (ORI) of the intrinsic fluorescence of reduced NAD (NADH) and oxidized FAD yields cellular redox and metabolic information and provides biomarkers for a variety of pathological conditions. However, its utility in AD has not been characterized at the tissue level. We performed ex vivo ORI of freshly dissected hippocampi from a well-characterized AD mouse model with five familial Alzheimer’s disease mutations (5XFAD) and wild type (WT) control littermates at various ages. We found (1) a significant increase in the redox ratio with age in the hippocampi of both the WT control and the 5XFAD model, with a more prominent redox shift in the AD hippocampi; (2) a higher NADH in the 5XFAD versus WT hippocampi at the pre-symptomatic age of 2 months; and (3) a negative correlation between NADH and Aβ42 level, a positive correlation between Fp and Aβ42 level, and a positive correlation between redox ratio and Aβ42 level in the AD hippocampi. These findings suggest that the ORI can be further optimized to conveniently study the metabolism of freshly dissected brain tissues in animal models and identify early AD biomarkers.
Integrative Analysis of Metabolome and Transcriptome Reveals the Role of Strigolactones in Wounding-Induced Rice Metabolic Re-Programming
Authors: Liu Ling , Li Kang , Zhou Xiujuan , Fang Chuanying
Published: August 2022

Plants have evolved mechanisms to adapt to wounding, a threat occurring separately or concomitantly with other stresses. During the last decades, many efforts have been made to elucidate the wounding signaling transduction. However, we know little about the metabolic re-programming under wounding, let alone whether and how strigolactones (SLs) participate in this progress. Here, we reported a metabolomic and transcriptomic analysis of SLs synthetic and signal mutants in rice before and after wounding. A series of metabolites differentially responded to wounding in the SLs mutants and wild-type rice, among which flavones were enriched. Besides, the SLs mutants accumulated more jasmonic acid (JA) and jasmonyl isoleucine (JA-lle) than the wild-type rice after wounding, suggesting an interplay of SLs and JAs during responding to wounding. Further transcriptome data showed that cell wall, ethylene, and flavones pathways might be affected by wounding and SLs. In addition, we identified candidate genes regulated by SLs and responding to wounding. In conclusion, our work provides new insights into wounding-induced metabolic re-programming and the SLs’ function.
Application of Different Indices for Soil Heavy Metal Pollution Risk Assessment Comparison and Uncertainty: A Case Study of a Copper Mine Tailing Site
Authors: Teng Yanguo , Liu Linmei , Zheng Nengzhan , Liu Hong , Wu Lijun , Yue Weifeng
Published: August 2022

The concentrations of Cu, Zn, As, Pb, Cr, and Cd in soil were analyzed in a mining area in the Inner Mongolia Autonomous Region, China. The average metal concentrations in the soil samples were 204.07 mg/kg, 88.15 mg/kg, 14.47 mg/kg 88.52 mg/kg, 56.45 mg/kg, and 0.235 mg/kg, respectively. Based on the evaluation standards, background values of the soil heavy metals, multiple soil pollution assessment indices, such as the single factor index (Pi), the geological accumulation index (Igeo), the Nemerow index (Pn), the ecological risk index (ER), and the health risk index (HI) were applied to evaluate the soil environmental risks in the study area. It was found that in different soil layer depths (0–10 cm, 10–30 cm, and 30–50 cm), the evaluation result of each index showed that there were significant spatial differences in soil pollution levels, and the focus of different indices differed greatly from each other. The Pi put 18.14% of the area at high risk of soil contamination levels, due to the fact that this index highlights the Cu pollution factor more than other indices and relatively amplifies hazards in some high-risk areas. While the Pn indicated that 61.36% of the study area was at a safe level of soil contamination, it can underestimate the regional soil heavy metal pollution risk. In order to scientifically carry out soil-pollution-risk prevention and control, it is necessary to comprehensively compare and analyze the information disclosed by different indices.
Nutritional Profiling and Antioxidant Property of Three Wild Edible Mushrooms from North East India
Authors: Khumlianlal Joshua , Sharma K. Chandradev , Singh Leichombam Mohindro , Mukherjee Pulok K. , Indira Sarangthem
Published: August 2022

The mushroom is an important food for the rural tribal populations in Manipur, because of its high nutritional contents. In this study, we report on the nutritional profile of three wild edible mushrooms consumed by the tribal populations of Manipur viz.: Macrocybe gigantea J124; Lactifluus leptomerus J201 and Ramaria thindii J470. The studied mushrooms possess a high protein content of 37.6%, 20.8% and 16.4%, respectively. They have a high vitamin C content with low vitamin B1, B2 and folic acid. Among the three mushrooms, M. gigantea J124 possesses the highest mineral content, followed by R. thindii J470 and L. leptomerus J201. The total phenolic content of L. leptomerus J201, M. gigantea J124 and R. thindii J470 were 26.206, 29.23 and 30.99 mg GAE/g, with flavonoid content of 6.646, 6.854 and 9.187 mg quercetin/g, respectively. R. thindii J470 has the highest TPC and TFC content, which correlates with its DPPH radical scavenging activity. The IC50 values for R. thindii J470, M. gigantea J124 and L. leptomerus J201 are 242.0 µg/mL, 550.4 µg/mL and 689.0 µg/mL, respectively, which suggest that the higher content of phenolic compounds in R. thindii J470 contributes to its radical scavenging properties.
Poly-(lactic-co-glycolic) Acid Nanoparticles Entrapping Pterostilbene for Targeting Aspergillus Section Nigri
Authors: Orekhova Anastasia , Palocci Cleofe , Chronopoulou Laura , De Angelis Giulia , Badiali Camilla , Petruccelli Valerio , D’Angeli Simone , Pasqua Gabriella , Simonetti Giovanna
Published: August 2022

Poly-(lactic-co-glycolic) acid (PLGA) is a biodegradable, biosafe, and biocompatible copolymer. The Aspergillus section Nigri causes otomycosis localized in the external auditory canal. In this research, Aspergillus brasiliensis, a species belonging to the Nigri section, was tested. Coumarin 6 and pterostilbene loaded in poly-(lactic-co-glycolic) acid nanoparticles (PLGA-coumarin6-NPs and PLGA-PTB-NPs) were tested for fungal cell uptake and antifungal ability against A. brasiliensis biofilm, respectively. Moreover, the activity of PLGA-PTB-NPs in inhibiting the A. brasiliensis infection was tested using Galleria mellonella larvae. The results showed a fluorescence signal, after 50 nm PLGA-coumarin6-NPs treatment, inside A. brasiliensis hyphae and along the entire thickness of the biofilm matrix, which was indicative of an efficient NP uptake. Regarding antifungal activity, a reduction in A. brasiliensis biofilm formation and mature biofilm with PLGA-PTB-NPs has been demonstrated. Moreover, in vivo experiments showed a significant reduction in mortality of infected larvae after injection of PLGA-PTB-NPs compared to free PTB at the same concentration. In conclusion, the PLGA-NPs system can increase the bioavailability of PTB in Aspergillus section Nigri biofilm by overcoming the biofilm matrix barrier and delivering PTB to fungal cells.
Vanadium(V) Removal from Aqueous Solutions and Real Wastewaters onto Anion Exchangers and Lewatit AF5
Authors: Wołowicz Anna , Hubicki Zbigniew
Published: August 2022

Adsorption abilities of weakly (Purolite A830), weakly basic/chelating (Purolite S984), and strongly basic (Lewatit MonoPlus SR7, Purolite A400TL, Dowex PSR2, Dowex PSR3) ion exchange resins of different functional groups and microporous Lewatit AF5 without functional groups towards vanadium(V) ions were studied in batch and column systems. In the batch system, the influence of the sorbent mass (0.01–0.1 g), pH (2–10), the phase contact time (1–1440 min),and the initial concentration (5–2000 mg/L) were studied, whereas in the column system, the initial concentrations (50, 100, and 200 mg/L) with the same bed volume and flow rate (0.4 mL/min) were studied. Desorption agents HCl and NaOH of 0.1–1 mol/L concentration were used for loaded sorbent regeneration. The pseudo-first order, pseudo-second order and intraparticle diffusion kinetic models as well as the Langmuir, Freundlich, Temkin, and Dubinin–Radushkevich isotherm models were used to describe kinetic and equilibrium data to acquire improved knowledge on the adsorption mechanism. The desorption efficiency was the largest using 0.5 mol/L NaOH for all sorbents under discussion. Purolite S984, Purolite A830, and Purolite A400TL, especially Purolite S984, are characterized by the best removal ability towards vanadium(V) from both model and real wastewater.
Transcriptomic Analyses Reveal Key Genes Involved in Pigment Biosynthesis Related to Leaf Color Change of Liquidambar formosana Hance
Authors: Li Yanjun , Zhou Yang , Chen Hong , Chen Chen , Liu Zemao , Han Chao , Wu Qikui , Yu Fangyuan
Published: August 2022

Liquidambar formosana Hance has a highly ornamental value as an important urban greening tree species with bright and beautiful leaf color. To gain insights into the physiological and molecular mechanisms of L. formosana leaf color change, the leaves of three different clones were sampled every ten days from October 13, 2019, five times in total, which are S1, S2, S3, S4 and S5. Transcriptome sequencing was performed at S1 and S4. The chlorophyll content of the three clones decreased significantly, while the anthocyanins content of the three clones increased significantly in the coloring stage. The anthocyanins content of clone 2 was far more than that of the other two clones throughout the period of leaf color change. The transcriptome analysis showed that six DEGs related to anthocyanins biosynthesis, including CHS (chalcone synthase), CHI (chalcone isomerase), F3′H (flavonoid 3′-hydroxylase), DFR (dihydroflavonol 4-reductase), ANS (anthocyanidin synthase) and FLS (flavonol synthase), were found in three clones. Clone 2 has another three DEGs related to anthocyanins biosynthesis, including PAL (Phenylalanine ammonia-lyase), F3′5′H (flavonoid 3′,5′-hydroxylase) and UFGT (flavonoid 3-O-glucosyltransferase). We lay a foundation for understanding the molecular regulation mechanism of the formation of leaf color by exploring valuable genes, which is helpful for L. formosana breeding.
Synthesis, Characterization and Anticancer Efficacy Studies of Iridium (III) Polypyridyl Complexes against Colon Cancer HCT116 Cells
Authors: Xie Biao , Wang Yi , Wang Di , Xue Xingkui , Nie Yuqiang
Published: August 2022

In this paper, two new iridium (III) complexes, [Ir(ppy)2(ipbp)](PF6) (Ir1) (ppy = 2-phenylpyridine, ipbp = 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2yl)-4H-chromen-4-one) and [Ir(bzq)2(ipbp)](PF6) (Ir2) (bzq = benzo[h]quinolone), were synthesized and characterized. The cytotoxicity of the complexes against human colon cancer HCT116 and normal LO2 cells was evaluated by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) method. The complexes Ir1 and Ir2 show high cytotoxic efficacy toward HCT116 cells with a low IC50 value of 1.75 ± 0.10 and 6.12 ± 0.2 µM. Interestingly, Ir1 only kills cancer cells, not normal LO2 cells (IC50 > 200 µM). The inhibition of cell proliferation and migration were investigated by multiple tumor spheroid (3D) and wound healing experiments. The cellular uptake was explored under a fluorescence microscope. The intracellular reactive oxygen species (ROS), change of mitochondrial membrane potential, glutathione (GSH) and adenine nucleoside triphosphate (ATP) were studied. Apoptosis and cell cycle arrest were performed by flow cytometry. The results show that the complexes induce early apoptosis and inhibit the cell proliferation at the G0/G1 phase. Additionally, the apoptotic mechanism was researched by Western blot analysis. The results obtained demonstrate that the complexes cause apoptosis in HCT116 cells through ROS-mediated mitochondrial dysfunction and the inhibition of PI3K/AKT signaling pathways.
Bioinformatics-Guided Identification of Ethyl Acetate Extract of Citri Reticulatae Pericarpium as a Functional Food Ingredient with Anti-Inflammatory Potential
Authors: Ma Enyao , Jin Lu , Qian Chunguo , Feng Chong , Zhao Zhimin , Tian Hongru , Yang Depo
Published: August 2022

Citri Reticulatae Pericarpium (CRP) is one of the most commonly used food supplements and folk medicines worldwide, and possesses cardiovascular, digestive, and respiratory protective effects partially through its antioxidant and anti-inflammatory functions. The unique aromatic flavor and mild side effects make CRP a promising candidate for the development of anti-inflammatory functional food. However, recent studies show that the crude alcoholic extract and some isolated compounds of CRP show compromised anti-inflammatory activity, which became the main factor hindering its further development. To identify the bioactive compounds with anti-inflammatory potential, and improve the anti-inflammatory effects of the extract, a bioinformatics-guided extraction protocol was employed in this study. The potential bioactive candidates were identified by combing network pharmacology analysis, molecular docking, principal components analysis, k-means clustering, and in vitro testing of reference compounds. Our results demonstrated that 66 compounds in CRP could be grouped into four clusters according to their docking score profile against 24 receptors, while the cluster containing flavonoids and phenols might possess a more promising anti-inflammatory function. In addition, in vitro anti-inflammatory tests of the seven reference compounds demonstrated that hesperitin, naringenin, and gardenin B, which were grouped into a cluster containing flavonoids and phenols, significantly decreased LPS-induced NO, TNF-α, and IL-6 production of macrophages. While the compounds outside of that cluster, such as neohesperidin, naringin, hesperidin, and sinensetin showed little effect on alleviating LPS-induced NO and proinflammatory cytokine production. Based on the chemical properties of selected compounds, ethyl acetate (EtOAc) was selected as the solvent for extraction, because of its promising solubility of flavonoids and phenols. Furthermore, the ethanol alcoholic extract was used as a reference. The chemical profiling of EtOAc and crude alcoholic extract by HPLC/MS/MS also demonstrated the decreased abundance of flavonoid glycosides in EtOAc extract but increased abundance of phenols, phenolic acid, and aglycones. In accordance with the prediction, the EtOAc extract of CRP, but not the crude alcoholic extract, significantly decreased the NO, IL-6, and TNF-α production. Taken together, the results suggested selective extraction of phenols and flavonoids rich extract was able to increase the anti-inflammatory potential of CRP partially because of the synergistic effects between flavonoids, phenols, and enriched polymethoxyflavones. Our study might pave the road for the development of ethyl acetate extract of CRP as a novel functional food with anti-inflammatory function.
Weak Coordinating Character of Organosulfonates in Oriented Silica Films: An Efficient Approach for Immobilizing Cationic Metal-Transition Complexes
Authors: Ahoulou Samuel , Richart Clara , Carteret Cédric , Pillet Sébastien , Vilà Neus , Walcarius Alain
Published: August 2022

Iron (II) tris(2,2′-bipyridine) complexes, [Fe(bpy)3]2+, have been synthesized and immobilized in organosulfonate-functionalized nanostructured silica thin films taking advantage of the stabilization of [Fe(H2O)6]2+ species by hydrogen bonds to the anionic sulfonate moieties grafted to the silica nanopores. In a first step, thiol-based silica films have been electrochemically generated on indium tin oxide (ITO) substrates by co-condensation of 3-mercaptopropyltrimethoxysilane (MPTMS) and tetraethoxysilane (TEOS). Secondly, the thiol function has been modified to sulfonate by chemical oxidation using hydrogen peroxide in acidic medium as an oxidizing agent. The immobilization of [Fe(bpy)3]2+ complexes has been performed in situ in two consecutive steps: (i) impregnation of the sulfonate functionalized silica films in an aqueous solution of iron (II) sulfate heptahydrate; (ii) dipping of the iron-containing mesostructures in a solution of bipyridine ligands in acetonitrile. The in situ formation of the [Fe(bpy)3]2+ complex is evidenced by its characteristic optical absorption spectrum, and elemental composition analysis using X-ray photoelectron spectroscopy. The measured optical and electrochemical properties of immobilized [Fe(bpy)3]2+ complexes are not altered by confinement in the nanostructured silica thin film.
131I-C19 Iodide Radioisotope and Synthetic I-C19 Compounds as K-Ras4B–PDE6δ Inhibitors: A Novel Approach against Colorectal Cancer—Biological Characterization, Biokinetics and Dosimetry
Authors: Cruz-Nova Pedro , Ocampo-García Blanca , Carrión-Estrada Dayan Andrea , Briseño-Diaz Paola , Ferro-Flores Guillermina , Jiménez-Mancilla Nallely , Correa-Basurto José , Bello Martiniano , Vega-Loyo Libia , Thompson-Bonilla María del Rocío , Hernández-Rivas Rosaura , Vargas Miguel
Published: August 2022

In 40–50% of colorectal cancer (CRC) cases, K-Ras gene mutations occur, which induce the expression of the K-Ras4B oncogenic isoform. K-Ras4B is transported by phosphodiesterase-6δ (PDE6δ) to the plasma membrane, where the K-Ras4B–PDE6δ complex dissociates and K-Ras4B, coupled to the plasma membrane, activates signaling pathways that favor cancer aggressiveness. Thus, the inhibition of the K-Ras4B–PDE6δ dissociation using specific small molecules could be a new strategy for the treatment of patients with CRC. This research aimed to perform a preclinical proof-of-concept and a therapeutic potential evaluation of the synthetic I-C19 and 131I-C19 compounds as inhibitors of the K-Ras4B–PDE6δ dissociation. Molecular docking and molecular dynamics simulations were performed to estimate the binding affinity and the anchorage sites of I-C19 in K-Ras4B–PDE6δ. K-Ras4B signaling pathways were assessed in HCT116, LoVo and SW620 colorectal cancer cells after I-C19 treatment. Two murine colorectal cancer models were used to evaluate the I-C19 therapeutic effect. The in vivo biokinetic profiles of I-C19 and 131I-C19 and the tumor radiation dose were also estimated. The K-Ras4B–PDE6δ stabilizer, 131I-C19, was highly selective and demonstrated a cytotoxic effect ten times greater than unlabeled I-C19. I-C19 prevented K-Ras4B activation and decreased its dependent signaling pathways. The in vivo administration of I-C19 (30 mg/kg) greatly reduced tumor growth in colorectal cancer. The biokinetic profile showed renal and hepatobiliary elimination, and the highest radiation absorbed dose was delivered to the tumor (52 Gy/74 MBq). The data support the idea that 131I-C19 is a novel K-Ras4B/PDE6δ stabilizer with two functionalities: as a K-Ras4B signaling inhibitor and as a compound with radiotherapeutic activity against colorectal tumors.
Current Use of Fenton Reaction in Drugs and Food
Authors: Abe Chizumi , Miyazawa Taiki , Miyazawa Teruo
Published: August 2022

Iron is the most abundant mineral in the human body and plays essential roles in sustaining life, such as the transport of oxygen to systemic organs. The Fenton reaction is the reaction between iron and hydrogen peroxide, generating hydroxyl radical, which is highly reactive and highly toxic to living cells. “Ferroptosis”, a programmed cell death in which the Fenton reaction is closely involved, has recently received much attention. Furthermore, various applications of the Fenton reaction have been reported in the medical and nutritional fields, such as cancer treatment or sterilization. Here, this review summarizes the recent growing interest in the usefulness of iron and its biological relevance through basic and practical information of the Fenton reaction and recent reports.
Combination Anticancer Therapies Using Selected Phytochemicals
Authors: Talib Wamidh H. , Awajan Dima , Hamed Reem Ali , Azzam Aya O. , Mahmod Asma Ismail , AL-Yasari Intisar Hadi
Published: August 2022

Cancer is still one of the most widespread diseases globally, it is considered a vital health challenge worldwide and one of the main barriers to long life expectancy. Due to the potential toxicity and lack of selectivity of conventional chemotherapeutic agents, discovering alternative treatments is a top priority. Plant-derived natural products have high potential in cancer treatment due to their multiple mechanisms of action, diversity in structure, availability in nature, and relatively low toxicity. In this review, the anticancer mechanisms of the most common phytochemicals were analyzed. Furthermore, a detailed discussion of the anticancer effect of combinations consisting of natural product or natural products with chemotherapeutic drugs was provided. This review should provide a strong platform for researchers and clinicians to improve basic and clinical research in the development of alternative anticancer medicines.
Catalytic Performance of Cobalt(II) Polyethylene Catalysts with Sterically Hindered Dibenzopyranyl Substituents Studied by Experimental and MLR Methods
Authors: Malik Arfa Abrar , Meraz Md Mostakim , Yang Wenhong , Zhang Qiuyue , Sage Desalegn Demise , Sun Wen-Hua
Published: August 2022

Given the great importance of cobalt catalysts supported by benchmark bis(imino)pyridine in the (oligo)polymerization, a series of dibenzopyran-incorporated symmetrical 2,6-bis(imino) pyridyl cobalt complexes (Co1–Co5) are designed and prepared using a one-pot template approach. The structures of the resulting complexes are well characterized by a number of techniques. After activation with either methylaluminoxane (MAO) or modified MAO (MMAO), the complexes Co1–Co4 are highly active for ethylene polymerization with a maximum activity of up to 7.36 × 106 g (PE) mol−1 (Co) h−1 and produced highly linear polyethylene with narrow molecular weight distributions, while Co5 is completely inactive under the standard conditions. Particularly, complex Co3 affords polyethylene with high molecular weights of 85.02 and 79.85 kg mol−1 in the presence of MAO and MMAO, respectively. The 1H and 13C NMR spectroscopy revealed the existence of vinyl end groups in the resulting polyethylene, highlighting the predominant involvement of the β-H elimination reaction in the chain-termination process. To investigate the mechanism underlying the variation of catalytic activities as a function of substituents, multiple linear regression (MLR) analysis was performed, showing the key role of open cone angle (θ) and effective net charge (Q) on catalytic activity.
Betuletol, a Propolis Component, Suppresses IL-33 Gene Expression and Effective against Eosinophilia
Authors: Shaha Aurpita , Islam Rezwanul , Tanaka Naonobu , Kashiwada Yoshiki , Fukui Hiroyuki , Takeda Noriaki , Kitamura Yoshiaki , Mizuguchi Hiroyuki
Published: August 2022

Propolis, a resinous substance produced by honeybees, has been used in folk medicine since ancient times due to its many biological benefits such as antitumor, antioxidant, antimicrobial, anti-inflammatory, and immunomodulatory effects. Propolis contains flavonoids, terpenoids, aromatic aldehydes, and alcohols, which vary with different climate and environmental conditions. In our study, we examined the antiallergic activity of Brazilian green propolis (BGP) and isolated the active compound that can suppress an allergy-sensitive gene, IL-33, expression and eosinophilia. Ethanolic extract of BGP freeze-dried powder was fractionated with several solvent systems, and the active fractions were collected based on activity measurement. The single active compound was found by thin-layer chromatography. Using column chromatography and NMR, the active compound was isolated and identified as 3,5,7-trihydroxy-6,4’-dimethoxyflavone, also known as betuletol. Further, the antiallergic activity of that has been examined in PMA-induced up-regulation of IL-33 gene expression in Swiss 3T3 cells. Our data showed the IL-33 gene suppression both by BGP and the isolated active compound, betuletol. We also found that betuletol suppressed ERK phosphorylation, suggesting it could be effective in suppressing IL-33 mediated eosinophilic chronic inflammation and will provide new insights to develop potent therapeutics against allergic inflammations.
Design, Synthesis and Biological Evaluation of New Carbohydrate-Based Coumarin Derivatives as Selective Carbonic Anhydrase IX Inhibitors via “Click” Reaction
Authors: Chu Naying , Wang Yitong , Jia Hao , Han Jie , Wang Xiaoyi , Hou Zhuang
Published: August 2022

In this work, we designed a series of new carbohydrate-based coumarin carbonic anhydrase IX inhibitors by using 1,2,3-triazoles as linker. Next, these designed compounds were synthesized by the optimized one-pot click chemistry reaction condition. Subsequently, these target compounds were assayed for the inhibition of three carbonic anhydrase isoforms (CA I, CA II and CA IX). Intriguingly, all the compounds showed better CA IX inhibitory activity than initial coumarin fragments. Among them, compound 10a (IC50: 11 nM) possessed the most potent CA IX inhibitory activity, which was more potent than the reference drug acetazolamide (IC50: 30 nM). Notably, compound 10a showed 3018-fold, 1955-fold selectivity relative to CA I and CA II, respectively. Meanwhile, representative compounds could reduce tumor cell viability and the extracellular acidification in HT-29 and MDA-MB-231 cancer cell lines. Even more interestingly, our target compounds had no apparent cytotoxicity toward MCF-10A cell line. In addition, the in vitro stability assays also indicated our developed compounds possessed good liver microsomal metabolic stabilities and plasma stability. Furthermore, representative compounds revealed relatively low hERG cardiac toxicity and acute toxicity. Furthermore, docking studies were carried out to understand the interactions of our target compounds with the protein target CA IX. Collectively, our results suggest that compound 10a, as a selective CA IX inhibitor, could be an important lead compound for further optimization and development as an anticancer agent.
Design, Synthesis and Structure-Activity Relationship of Novel Pinacolone Sulfonamide Derivatives against Botrytis cinerea as Potent Antifungal Agents
Authors: Liu Chaojie , Xiang Xiaofang , Wan Ying , Yang Jia , Li Yufei , Zhang Xinchen , Qi Zhiqiu , He Lu , Liu Wei , Li Xinghai
Published: August 2022

To develop new fungicides with high efficiency, 46 novel sulfonamide derivatives were designed and synthesized by introducing pinacolone fragment into chesulfamide which was used as lead compound. All compounds were characterized by 1H NMR, 13C NMR, and MS spectra, and the structure of compound P-27 was also confirmed by X-ray single crystal diffraction. It was found that a variety of compounds present excellent inhibitory effect against Botrytis cinerea. The inhibition rates of P-29 on tomato and strawberry were 90.24% (200 mg/L) and 100% (400 mg/L) in vivo respectively, which were better than the lead compound chesulfamide (59.23% on tomato seedlings and 29.63% on strawberries).