bluuebunny/crossref_metadata_2025 huggingface dataset:
An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules
Authors: Wang Yanxing , Walker Brandon Duane , Liu Chengwen , Ren Pengyu
Published: December 2022

Accurate conformational energetics of molecules are of great significance to understand maby chemical properties. They are also fundamental for high-quality parameterization of force fields. Traditionally, accurate conformational profiles are obtained with density functional theory (DFT) methods. However, obtaining a reliable energy profile can be time-consuming when the molecular sizes are relatively large or when there are many molecules of interest. Furthermore, incorporation of data-driven deep learning methods into force field development has great requirements for high-quality geometry and energy data. To this end, we compared several possible alternatives to the traditional DFT methods for conformational scans, including the semi-empirical method GFN2-xTB and the neural network potential ANI-2x. It was found that a sequential protocol of geometry optimization with the semi-empirical method and single-point energy calculation with high-level DFT methods can provide satisfactory conformational energy profiles hundreds of times faster in terms of optimization.
Optimization of Mulberry Extract Foam-Mat Drying Process Parameters
Authors: Thuy Nguyen Minh , Tien Vo Quoc , Tuyen Nguyen Ngoc , Giau Tran Ngoc , Minh Vo Quang , Tai Ngo Van
Published: December 2022

Mulberry powder was created from the extract using a foam-mat drying process. The studies aimed to evaluate the effects of egg albumin, carboxymethyl cellulose (CMC), digestion-resistant maltodextrin (DRM) contents, and whipping time (5 to 15 min) on the foam properties. The impact of different drying temperatures (60 to 75 °C) on the quality of the finished mulberry powder was also noted. The best foam expansion/stability value was determined using multiple regression models as a function of egg albumin, CMC, DRM, and whipping time. The results indicated that the main influencing factors for the foam properties were whipping time followed by egg albumin, CMC, and DRM. Optimum values of foam expansion and stability were achieved at 467.9% and 97.02%, respectively. The foam had a porous structure and good stability for subsequent drying, with optimal contents of egg albumin, CMC, and DRM used at 7.6%, 0.4%, and 2%, respectively, along with a whipping time of 14.5 min. The established models had a high coefficient of determination (R2 > 0.9) and a high correlation between the predicted and observed values. Therefore, the model could be adjusted to determine the characteristics of the foam suitable for subsequent drying. The optimal values were then also verified. Minimal fluctuations (1.78–2.98%) between the experimental data and the optimal value were found. The drying temperature also significantly affected the quality of the mulberry powder. The foam was dried at 65 °C for 4 h to produce apowder with a beautiful light color (L* = 62.65), a characteristic purple-red color of mulberry (a* = 5.97). The moisture, water activity, and anthocyanin content of the finished mulberry powder were 4.57%, 0.3, and 5.4 mg/g, respectively.
Rapid, Simultaneous, and Automatic Determination of Lead and Cadmium in Cereals with a New High Performance Composite Hollow Cathode Lamp Coupled to Graphite Furnace Atomic Absorption Spectrometry
Authors: Wu Yanxiang , Wang Songxue , Cui Weibing , Tian Wei , Zhang Jieqiong , Chen Xi , Zhou Minghui
Published: December 2022

A simple, rapid, sensitive, accurate, and automatic graphite furnace atomic absorption spectrometry (GFAAS) method for detecting Cd and Pb in cereals is presented. This method enables the simultaneous determination of Cd and Pb in cereals with a pre-treatment method of diluted acid extraction and a high-performance lead–cadmium composite hollow-cathode lamp (LCC-HCL), and it realizes automatic determination from sample weighing to result output through an automatic diluted acid extraction system. Under the optimization, Pb and Cd in cereals were simultaneously and automatically detected in up to 240 measurements in 8 h. The LOD and LOQ of this method were 0.012 and 0.040 mg·kg−1 for Pb, and 0.0014 and 0.0047 mg·kg−1 for Cd, respectively. The results of the four certified reference materials were satisfied; there was no significant difference compared with the ICP-MS method according to a t-test, and the RSDs were less than 5% for Cd and Pb. The recoveries of naturally contaminated samples compared with the ICP-MS method were favorable, with 80–110% in eight laboratories. The developed method is rapid, low-cost, and highly automated and may be a good choice for grain quality discrimination and rapid analysis of Cd and Pb in different institutions.
Polysaccharide-Based Composite Hydrogels as Sustainable Materials for Removal of Pollutants from Wastewater
Authors: Ghiorghita Claudiu-Augustin , Dinu Maria Valentina , Lazar Maria Marinela , Dragan Ecaterina Stela
Published: December 2022

Nowadays, pollution has become the main bottleneck towards sustainable technological development due to its detrimental implications in human and ecosystem health. Removal of pollutants from the surrounding environment is a hot research area worldwide; diverse technologies and materials are being continuously developed. To this end, bio-based composite hydrogels as sorbents have received extensive attention in recent years because of advantages such as high adsorptive capacity, controllable mechanical properties, cost effectiveness, and potential for upscaling in continuous flow installations. In this review, we aim to provide an up-to-date analysis of the literature on recent accomplishments in the design of polysaccharide-based composite hydrogels for removal of heavy metal ions, dyes, and oxyanions from wastewater. The correlation between the constituent polysaccharides (chitosan, cellulose, alginate, starch, pectin, pullulan, xanthan, salecan, etc.), engineered composition (presence of other organic and/or inorganic components), and sorption conditions on the removal performance of addressed pollutants will be carefully scrutinized. Particular attention will be paid to the sustainability aspects in the selected studies, particularly to composite selectivity and reusability, as well as to their use in fixed-bed columns and real wastewater applications.
New Azido Coumarins as Potential Agents for Fluorescent Labeling and Their “Click” Chemistry Reactions for the Conjugation with closo-Dodecaborate Anion
Authors: Laskova Julia , Serdyukov Alexander , Kosenko Irina , Ananyev Ivan , Titova Ekaterina , Druzina Anna , Sivaev Igor , Antonets Anastasia A. , Nazarov Alexey A. , Bregadze Vladimir I.
Published: December 2022

Novel fluorescent 7-methoxy- and 7-(diethylamino)-coumarins modified with azido-group on the side chain have been synthesized. Their photophysical properties and single crystals structure characteristics have been studied. In order to demonstrate the possibilities of fluorescent labeling, obtained coumarins have been tested with closo-dodecaborate derivative bearing terminal alkynyl group. CuI catalyzed Huisgen 1,3-dipolar cycloaddition reaction has led to fluorescent conjugates formation. The absorption–emission spectra of the formed conjugates have been presented. The antiproliferative activity and uptake of compounds against several human cell lines were evaluated.
Preparation, Characterization and In Vitro Biological Activities of New Diphenylsulphone Derived Schiff Base Ligands and Their Co(II) Complexes
Authors: Gaikwad Kundalkesha D. , Ubale Panchsheela , Khobragade Rahul , Deodware Sachin , Dhale Pratibha , Asabe Mahadev R. , Ovhal Rekha M. , Singh Pranav , Vishwanath Prashant , Shivamallu Chandan , Achar Raghu Ram , Silina Ekaterina , Stupin Victor , Manturova Natalia , Shati Ali A. , Alfaifi Mohammad Y. , Elbehairi Serag Eldin I. , Gaikwad Shashikant H. , Kollur Shiva Prasad
Published: December 2022

The present work describes the chemical preparation of Schiff bases derived from 4,4′-diaminodiphenyl sulfone (L1–L5) and their Co(II) metal complexes. The evaluation of antimicrobial and anticancer activities against MCF-7 cell line and human lung cancer cell line A-549 was performed. The aforementioned synthesized compounds are characterized by spectroscopic techniques and elemental analysis confirms successful synthesis. The results from the above analytical techniques revealed that the complexes are in an octahedral geometry. The antimicrobial activity of the synthesized Schiff base ligands and their metal complexes under study was carried out by using the agar well diffusion method. The ligand and complex interactions for biological targets were predicted using molecular docking and high binding affinities. Further, the anticancer properties of the synthesized compounds are performed against the MCF-7 cell line and human lung cancer cell line A-549 using adriamycin as the standard drug.
A Comprehensive Review on Zeolite Chemistry for Catalytic Conversion of Biomass/Waste into Green Fuels
Authors: Qazi Umair Yaqub , Javaid Rahat , Ikhlaq Amir , Khoja Asif Hussain , Saleem Faisal
Published: December 2022

Numerous attempts have been made to produce new materials and technology for renewable energy and environmental improvements in response to global sustainable solutions stemming from fast industrial expansion and population growth. Zeolites are a group of crystalline materials having molecularly ordered micropore arrangements. Over the past few years, progress in zeolites has been observed in transforming biomass and waste into fuels. To ensure effective transition of fossil energy carriers into chemicals and fuels, zeolite catalysts play a key role; however, their function in biomass usage is more obscure. Herein, the effectiveness of zeolites has been discussed in the context of biomass transformation into valuable products. Established zeolites emphasise conversion of lignocellulosic materials into green fuels. Lewis acidic zeolites employ transition of carbohydrates into significant chemical production. Zeolites utilise several procedures, such as catalytic pyrolysis, hydrothermal liquefaction, and hydro-pyrolysis, to convert biomass and lignocelluloses. Zeolites exhibit distinctive features and encounter significant obstacles, such as mesoporosity, pore interconnectivity, and stability of zeolites in the liquid phase. In order to complete these transformations successfully, it is necessary to have a thorough understanding of the chemistry of zeolites. Hence, further examination of the technical difficulties associated with catalytic transformation in zeolites will be required. This review article highlights the reaction pathways for biomass conversion using zeolites, their challenges, and their potential utilisation. Future recommendations for zeolite-based biomass conversion are also presented.
Contact-Piezoelectric Bi-Catalysis of an Electrospun ZnO@PVDF Composite Membrane for Dye Decomposition
Authors: Jiang Buwen , Xue Xiaoxuan , Mu Zuxiang , Zhang Haoyuan , Li Feng , Liu Kai , Wang Wenqian , Zhang Yongfei , Li Wenhui , Yang Chao , Zhang Kewei
Published: December 2022

The treatment of organic pollutants in wastewater is becoming a great challenge for social development. Herein, a novel contact-piezoelectric bi-catalysis of a ZnO@ PVDF composite membrane was prepared by electrospinning technology. The obtained ZnO@PVDF composite membranes is superior to the pure PVDF membrane in decomposing methyl orange (MO) under ultrasonication at room temperature, which is mainly attributed to the synergy effect of the contact-electro-catalysis of dielectric PVDF, as well as the piezoelectric catalysis of tetrapodal ZnO and the β-phase of PVDF. The heterostructure of the piezoelectric-ZnO@dielectric-PVDF composite is beneficial in reducing the electron/hole pair recombination. As compared to the pure PVDF membrane, the catalytic degradation efficiency of the ZnO@PVDF composite membrane was improved by 444.23% under ultrasonication. Moreover, the reusability and stability of the composite membrane are comparable to those of the traditional powdered catalyst. This work offers a promising strategy for improving the pollutant degradation by combining contact-electro-catalysis with piezoelectric catalysis.
Exploring the Phytochemical Profiles and Antioxidant, Antidiabetic, and Antihemolytic Properties of Sauropus androgynus Dried Leaf Extracts for Ruminant Health and Production
Authors: Purba Rayudika Aprilia Patindra , Paengkoum Pramote
Published: December 2022

Sauropus androgynus has become an essential plant in pharmaceutical formulations due to its beneficial antioxidant phytochemical components, participating in the antioxidant defense system and playing an important role in protecting human health. However, no research has been conducted on ruminant animals. This study aimed to evaluate the phytochemical profiles and biological potential of S. androgynus leaf extracts for ruminant health. Methanolic and hexanoic extracts from each commercially and noncommercially cultivated site were prepared over the course of five consecutive months. By means of HPLC-DAD, vitamins (ascorbic acid), essential oils (eugenol), tannins (gallic acid), cinnamic acids (caffeic acid, syringic acid, p-coumaric acid, sinapic acid and ferulic acid), and flavonoids (catechin, rutin, myricetin, quercetin, apigenin, and kaempferol) were detected. Variations in phytochemical composition were depending on solvent type but not on cultivation site or sample period. Methanolic extracts contained more phytochemicals than hexanoic extracts. Ascorbic acid and rutin were discovered to be the two most abundant phytochemicals in the methanolic extract of S. androgynus leaf, followed by essential oils, cinnamic acids, and tannins. In comparison to hexanoic extract, methanolic extract of S. androgynus demonstrated to be more efficient against oxidation scavenging: 1,1-diphenyl-2-picrylhydrazyl (IC50 = 13.14 ± 0.055 (mg/mL)), nitric oxide (IC50 = 55.02 ± 1.338 (mg/mL)) and superoxide (IC50 = 25.31 ± 0.886 (mg/mL)), as well as α-glucosidase inhibitory activity (IC50 = 9.83 ± 0.032 (mg/mL)). Similarly, methanolic was found to be more protective than hexanoic against oxidative damage in ruminant erythrocytes, with IC50 values (mg/mL) for hemoglobin oxidation, lipid peroxidation, and hemolysis of 11.96 ± 0.011, 13.54 ± 0.012, and 5.940 ± 0.005, respectively. These findings suggested that the leaves of S. androgynus are a prospective source of phytochemical substances with health-promoting qualities for ruminant production.
HPLC with Fluorescence and Photodiode Array Detection for Quantifying Capmatinib in Biological Samples: Application to In Vivo and In Vitro Studies
Authors: Zayed Aref , Jaber Sana’a A. , Al Hroot Jomana , Hawamdeh Sahar , Ayoub Nehad M. , Qinna Nidal A.
Published: December 2022

Capmatinib, a recently approved tyrosine kinase inhibitor, is used for the treatment of non-small cell lung cancer. We describe two new HPLC methods for capmatinib quantification in vivo and in vitro. HPLC with a fluorescence detection method was used to quantify capmatinib in plasma for the first time. The method was successfully applied in a pharmacokinetic study following a 10 mg/kg oral dose of capmatinib given to rats. The chromatographic separation was performed using a Eurospher II 100-3 C18H (50 × 4 mm, 3 µm) column and a mobile phase containing 10 mM of ammonium acetate buffer (pH 5.5): acetonitrile (70:30, v/v), at a flow rate of 2.0 mL min−1. The study also describes the use of HPLC-PDA for the first time for the determination of capmatinib in human liver microsomes and describes its application to study its metabolic stability in vitro. Our results were in agreement with those reported using LC-MS/MS, demonstrating the reliability of the method. The study utilized a Gemini-NX C18 column and a mobile phase containing methanol: 20 mM ammonium formate buffer pH 3.5 (53:47, v/v), delivered at a flow rate of 1.1 mL min−1. These methods are suitable for supporting pharmacokinetic studies, particularly in bioanalytical labs lacking LC-MS/MS capabilities.
Acetyl-CoA Carboxylase (ACC) Inhibitor, CP640186, Effectively Inhibited Dengue Virus (DENV) Infection via Regulating ACC Phosphorylation
Authors: Wu Wenyu , Chen Ruilin , Wan Yuanda , Li Liren , Han Jiajia , Lei Qiyun , Chen Zhipeng , Liu Shuwen , Yao Xingang
Published: December 2022

Dengue fever is the most common mosquito-borne viral disease and is caused by the dengue virus (DENV). There is still a lack of efficient drugs against DENV infection, so it is urgent to develop new inhibitors for future clinical use. Our previous research indicated the role of VEGFR2/AMPK in regulating cellular metabolism during DENV infection, while acetyl-CoA carboxylase (ACC) is located downstream of AMPK and plays a crucial role in mediating cellular lipid synthesis; therefore, we speculated that an ACC inhibitor could serve as an antiviral agent against DENV. Luckily, we found that CP640186, a reported noncompetitive ACC inhibitor, significantly inhibited DENV proliferation, and CP640186 clearly reduced DENV2 proliferation at an early stage with an EC50 of 0.50 μM. A mechanism study indicated that CP640186 inhibited ACC activation and destroyed the cellular lipid environment for viral proliferation. In the DENV2 infection mice model, oral CP640186 administration (10 mg/kg/day) significantly improved the mice survival rate after DENV2 infection. In summary, our research suggests that lipid synthesis plays an important role during DENV2 proliferation and indicates that CP640186 is a promising drug candidate against DNEV2 in the future.
Effects of Milk Polar Lipids on DSS-Induced Colitis Severity Are Dependent on Dietary Fat Content
Authors: Garcia Chelsea , Anto Liya , Blesso Christopher N.
Published: December 2022

In the United States, over three million adults suffer from inflammatory bowel disease (IBD). The gut microbiome, host immune response, and nutrient-microbial interactions are known to play a role in IBD. The relationship between dairy and IBD is controversial; thus, the objectives of this study were to identify how milk polar lipids (MPLs) and anhydrous milk fat affect colitis disease activity, the colonic transcriptome, and the gut microbiome in a mouse model of chemical-induced colitis. Male and female C57BL/6J mice (n = 120) were randomized into either a low (5% w/w) milk fat or a high (21% w/w) milk fat diet supplemented with either 0%, 1%, or 2% w/w of MPLs for three weeks (n = 10/group/sex). Afterwards, colitis was induced using 1% dextran sodium sulfate in drinking water for five days (colitis induction) and then switched to regular water for five days (colitis recovery). Mice fed added MPLs were protected against colitis when fed a high-fat diet, while added MPLs during low-fat diet attenuated disease activity during the colitis induction period yet promoted colitis and inflammation in male mice during the recovery period. Dietary fat content can alter colitis and influence the anti-inflammatory effect of milk polar lipids.
The Impact of a Natural Olive-Derived Phytocomplex (OliPhenolia®) on Exercise-Induced Oxidative Stress in Healthy Adults
Authors: Roberts Justin D. , Lillis Joseph , Pinto Jorge Marques , Willmott Ashley G. B. , Gautam Lata , Davies Christopher , López-Samanes Álvaro , Del Coso Juan , Chichger Havovi
Published: December 2022

The role of natural polyphenols in reducing oxidative stress and/or supporting antioxidant mechanisms, particularly relating to exercise, is of high interest. The aim of this study was to investigate OliPhenolia® (OliP), a biodynamic and organic olive fruit water phytocomplex, rich in hydroxytyrosol (HT), for the first time within an exercise domain. HT bioavailability from OliP was assessed in fifteen healthy volunteers in a randomized, double-blind, placebo controlled cross-over design (age: 30 ± 2 yrs; body mass: 76.7 ± 3.9 kg; height: 1.77 ± 0.02 m), followed by a separate randomized, double-blinded, cohort trial investigating the short-term impact of OliP consumption (2 × 28 mL∙d−1 of OliP or placebo (PL) for 16-days) on markers of oxidative stress in twenty-nine recreationally active participants (42 ± 2 yrs; 71.1 ± 2.1 kg; 1.76 ± 0.02 m). In response to a single 28 mL OliP bolus, plasma HT peaked at 1 h (38.31 ± 4.76 ng∙mL−1), remaining significantly elevated (p < 0.001) until 4 h. Plasma malondialdehyde (MDA), superoxide dismutase (SOD), catalase (CAT), reduced glutathione (GSH) and HT were assessed at rest and immediately following exercise (50 min at ~75% V˙O2max then 10 min intermittent efforts) and at 1 and 24 h post-exercise, before and after the 16-day supplementation protocol. Plasma HT under resting conditions was not detected pre-intervention, but increased to 6.3 ± 1.6 ng·mL−1 following OliP only (p < 0.001). OliP demonstrated modest antioxidant effects based on reduced SOD activity post-exercise (p = 0.016) and at 24 h (p ≤ 0.046), and increased GSH immediately post-exercise (p = 0.009) compared with PL. No differences were reported for MDA and CAT activity in response to the exercise protocol between conditions. The phenolic compounds within OliP, including HT, may have specific antioxidant benefits supporting acute exercise recovery. Further research is warranted to explore the impact of OliP following longer-term exercise training, and clinical domains pertinent to reduced oxidative stress.
Appetitive Motivation and Associated Neurobiology Change Differentially across the Life Course of Mouse Offspring Exposed to Peri- and Postnatal High Fat Feeding
Authors: Contu Laura , Heath Christopher J. , Hawkes Cheryl A.
Published: December 2022

Alterations in neural pathways that regulate appetitive motivation may contribute to increased obesity risk in offspring born to mothers fed a high fat (HF) diet. However, current findings on the impact of maternal obesity on motivation in offspring are inconclusive, and there is no information about the long-lasting effects in aged animals. This study examined the longitudinal effect of perinatal and chronic postnatal HF intake on appetitive motivation in young and aged offspring. Female C57Bl/6 were fed either a control (C) or HF diet before mating through to lactation. At weaning, offspring were maintained on the C or HF diet, generating the following four diet groups: C/C, C/HF, HF/C, and HF/HF based on the pre/post weaning diet. At 6 months, motivation was higher in HF/C females, but lower in male and female C/HF and HF/HF mice. By 12 months, this difference was lost, as C-fed animals became less motivated, while motivation increased in HF-fed mice. The mRNA levels of dopamine receptor 1 and 2 increased with age, while cannabinoid receptor 1 and μ-opioid receptor expression remained stable or decreased in mesolimbic and mesocortical dopaminergic pathways. Results from this study suggest that perinatal and chronic postnatal HF feeding produced opposite effects on appetitive motivation in young adult offspring mice, which was also reflected in the shift in motivation over time. These results have significant implications for patterns of hedonic eating across the life course and the relative risk of obesity at different time points.
Glycated Proteins, Glycine, Acetate, and Monounsaturated Fatty Acids May Act as New Biomarkers to Predict the Progression of Type 2 Diabetes: Secondary Analyses of a Randomized Controlled Trial
Authors: Canet Francisco , Christensen Jacob J. , Victor Victor M. , Hustad Kristin S. , Ottestad Inger , Rundblad Amanda , Sæther Thomas , Dalen Knut Tomas , Ulven Stine M. , Holven Kirsten B. , Telle-Hansen Vibeke H.
Published: December 2022

Food protein or food-derived peptides may regulate blood glucose levels; however, studies have shown inconsistent results. The aim of the present study was to characterize subgroups of individuals with increased risk of type 2 diabetes (T2D) and to investigate the cardiometabolic effects of fish protein in the same subgroups. We first divided participants into high insuliniAUC and low insuliniAUC subjects based on their insulin incremental area under the curve (iAUC) levels after a 2 h oral glucose tolerance test (OGTT), and secondly based on whether they had received 5.2 g salmon fish protein or placebo for 8 weeks, in a previously conducted randomized controlled trial (RCT). We then profiled these groups by analyzing plasma metabolomics and peripheral blood mononuclear cell (PBMC) gene expression. Compared to the low insuliniAUC group, the high insuliniAUC group had higher plasma concentrations of monounsaturated fatty acids (MUFAs) and glycated proteins (GlycA) and lower concentrations of glycine and acetate. After intervention with fish protein compared to placebo, however, only acetate was significantly increased in the low insuliniAUC group. In conclusion, we identified metabolic biomarkers known to be associated with T2D; also, intervention with fish protein did not affect cardiometabolic risk markers in subgroups with increased risk of T2D.
Preparation, Characterization, Wound Healing, and Cytotoxicity Assay of PEGylated Nanophytosomes Loaded with 6-Gingerol
Authors: Al-Samydai Ali , Qaraleh Moath Al , Alshaer Walhan , Al-Halaseh Lidia K. , Issa Reem , Alshaikh Fatima , Abu-Rumman Aseel , Al-Ali Hayat , Al-Dujaili Emad A. S.
Published: December 2022

Background: Nutrients are widely used for treating illnesses in traditional medicine. Ginger has long been used in folk medicine to treat motion sickness and other minor health disorders. Chronic non-healing wounds might elicit an inflammation response and cancerous mutation. Few clinical studies have investigated 6-gingerol’s wound-healing activity due to its poor pharmacokinetic properties. However, nanotechnology can deliver 6-gingerol while possibly enhancing these properties. Our study aimed to develop a nanophytosome system loaded with 6-gingerol molecules to investigate the delivery system’s influence on wound healing and anti-cancer activities. Methods: We adopted the thin-film hydration method to synthesize nanophytosomes. We used lipids in a ratio of 70:25:5 for DOPC(dioleoyl-sn-glycero-3-phosphocholine): cholesterol: DSPE/PEG2000, respectively. We loaded the 6-gingerol molecules in a concentration of 1.67 mg/mL and achieved size reduction via the extrusion technique. We determined cytotoxicity using lung, breast, and pancreatic cancer cell lines. We performed gene expression of inflammation markers and cytokines according to international protocols. Results: The synthesized nanophytosome particle sizes were 150.16 ± 1.65, the total charge was −13.36 ± 1.266, and the polydispersity index was 0.060 ± 0.050. Transmission electron microscopy determined the synthesized particles’ spherical shape and uniform size. The encapsulation efficiency was 34.54% ± 0.035. Our biological tests showed that 6-gingerol nanophytosomes displayed selective antiproliferative activity, considerable downregulation of inflammatory markers and cytokines, and an enhanced wound-healing process. Conclusions: Our results confirm the anti-cancer activity of PEGylated nanophytosome 6-gingerol, with superior activity exhibited in accelerating wound healing.
The Effect of BMI on Blood Lipids and Dyslipidemia in Lactating Women
Authors: Yu Lianlong , Xu Xiaohui , Yu Wei , Chen Liyong , Zhang Shixiu , Li Yanmo , Tian Meina , Liu Changqing , Luo Xiaoyan , Liu Yiya
Published: December 2022

Background: This study aimed to explore the correlation between body mass index (BMI) and dyslipidemia and the optimal cut-off point for BMI to distinguish the risk of dyslipidemia in lactating women. Methods: A total of 2295 lactating women subjects were included in this study, all within 2 years postpartum. All samples were from “China Children and Lactating Mothers Nutritional Health Surveillance (2016–2017)”. BMI, blood lipids, demographic information, lifestyle habits, and other serum indicators were obtained in this survey. Generalized linear model, logistic regression, restricted cubic spline (RCS) and ROC curve analysis were used to evaluate the relationship among BMI, blood lipids, and dyslipidemia. Results: BMI in lactating women was positively correlated with total cholesterol (TC), triglyceride (TG), low-density lipoprotein cholesterol (LDL-C), but negatively correlated with high-density lipoproteincholesterol (HDL-C) (p < 0.05). Higher BMI in lactating women was associated with higher ORs of dyslipidemia (hypercholesterolemia, hypertriglyceridemia, high-LDL-cholesterolemia, low HDL-cholesterolemia) (p < 0.05). These associations were stable across age groups, breastfeeding child age (months), parity, physical activity level, fasting plasma glucose (FPG), and hemoglobin. These factors did not interact with this relationship (p > 0.05). The optimal cut-off point for BMI was 24.85 kg/m2 determined by using ROC analysis, which can distinguish the risk of dyslipidemia. Conclusions: BMI was positively correlated with risk of dyslipidemia. Maintaining an ideal weight may prevent dyslipidemia in lactating women, and BMI is recommended to be controlled below 24.85 kg/m2.
Bioactivity of Carrageenans in Metabolic Syndrome and Cardiovascular Diseases
Authors: Valado Ana , Pereira Maria , Amaral Mónica , Cotas João , Pereira Leonel
Published: December 2022

The high incidence of changes in the lipid profile in the world population is supported by the adoption of a lifestyle with numerous risk factors. Dyslipidemia, the main alteration in the lipid profile, is characterized by increased concentrations of total cholesterol (TC), low-density lipoprotein cholesterol (LDL-C), triglycerides (TG), and decreased concentration of high-density lipoprotein cholesterol (HDL-C). These modifications in lipid metabolism are particularities of metabolic syndrome (MetS) and one of the main risk factors for the development of cardiovascular diseases (CVD), one of the main causes of death in the world. Macroalgae have a high percentage of dietary fiber, and a low percentage of lipids. Carrageenans, long-chain polysaccharides extracted from red macroalgae, are present in several foods, such as jelly. Chemically, they present several structures with different applications and purposes in the cosmetic, food, and pharmaceutical industries. The bioactive potential of carrageenans has demonstrated potential in the reduction of the levels of parameters of the lipid profile, being able to be an alternative in the reversion of MetS and, consequently, in the prevention and treatment of CVD. This review article aims to compile, evaluate, and reflect on the effect of carrageenans on lipid profile markers (TC, TG, HDL-C, LDL-C), relating them to MetS and CVD.
Trypanosoma cruzi and Trypanosoma rangeli in Acre, Brazilian Amazonia: Coinfection and Notable Genetic Diversity in an Outbreak of Orally Acquired Acute Chagas Disease in a Forest Community, Wild Reservoirs, and Vectors
Authors: Vergara-Meza José Gabriel , Brilhante Andreia Fernandes , Valente Vera da Costa , Villalba-Alemán Evaristo , Ortiz Paola Andrea , Cosmiro de Oliveira Sueli , Rodrigues Cavalcante Maxdelles , Julião Genimar Rebouças , Gonçalves Pinto Maria Carmelinda , Valente Sebastiao Aldo , Camargo Erney Plesmann , Teixeira Marta Maria Geraldes
Published: December 2022

Acute Chagas disease (ACD) caused by Trypanosoma cruzi has emerged as a major food-borne disease in Brazilian Amazonia. For the first time, we characterized an outbreak of orally acquired ACD in Acre, in the forest community of Seringal Miraflores, affecting 13 individuals who shared the pulp of açai palm berries: 11 adults and two children (one newborn), all diagnosed by thick-drop blood smears. The fluorescent fragment length barcoding method, which simultaneously identifies species/genotypes of trypanosomes in blood samples, uncovered an unprecedented genetic diversity in patients from a single outbreak of ACD: T. cruzi TcI in all patients, mostly concomitantly with the non-pathogenic Trypanosoma rangeli of genotypes TrA or TrB, and TcI, TcIV, and TrB in the child. The patients presented persistent fever, asthenia, myalgia, edema of the face and lower limbs, hepatosplenomegaly and, rarely, cardiac arrhythmia. The clinical symptoms were not correlated to gender, age, or to trypanosome species and genotypes. The inferred SSU rRNA phylogenetic analyses of trypanosomes from humans, triatomines and sylvatic hosts included the first sequences of T. cruzi and T. rangeli from humans in southwestern (Acre and Rondônia) Amazonia, and the first TcI/TcIV sequences from Rhodnius spp. from Acre. The sylvatic transmission cycles of genetically different trypanosomes in landscapes changed by deforestation for human settlements and increasing açai production is a novel scenario favoring trypanosome transmission to humans in Acre.
In Vitro Cytopathogenic Activities of Acanthamoeba T3 and T4 Genotypes on HeLa Cell Monolayer
Authors: Mohd Hussain Rosnani Hanim , Abdul Ghani Mohamed Kamel , Khan Naveed Ahmed , Siddiqui Ruqaiyyah , Aazmi Shafiq , Halim Hasseri , Anuar Tengku Shahrul
Published: December 2022

Amoebic keratitis and encephalitis are mainly caused by free-living amoebae of the genus Acanthamoeba, which consists of both pathogenic and nonpathogenic species. The global distribution, amphizoic properties and the severity of the disease caused by Acanthamoeba species have inspired the scientific community to put more effort into the isolation of Acanthamoeba, besides exploring the direct and indirect parameters that could signify a pathogenic potential. Therefore, this study was performed to characterize the pathogenic potential of Acanthamoeba isolated from contact lens paraphernalia and water sources in Malaysia. Various methodologies were utilized to analyze the thermotolerance and osmotolerance, the secretion level of proteases and the cytopathic effect of trophozoites on the cell monolayer. In addition, the in vitro cytopathogenicity of these isolates was assessed using the LDH-release assay. A total of 14 Acanthamoeba isolates were classified as thermo- and osmotolerant and had presence of serine proteases with a molecular weight of 45–230 kDa. Four T4 genotypes isolated from contact lens paraphernalia recorded the presence of serine-type proteases of 107 kDa and 133 kDa. In contrast, all T3 genotypes isolated from environmental samples showed the presence of a 56 kDa proteolytic enzyme. Remarkably, eight T4 and a single T3 genotype isolates demonstrated a high adhesion percentage of greater than 90%. Moreover, the use of the HeLa cell monolayer showed that four T4 isolates and one T3 isolate achieved a cytopathic effect in the range of 44.9–59.4%, indicating an intermediate-to-high cytotoxicity level. Apart from that, the LDH-release assay revealed that three T4 isolates (CL5, CL54 and CL149) and one T3 isolate (SKA5-SK35) measured an exceptional toxicity level of higher than 40% compared to other isolates. In short, the presence of Acanthamoeba T3 and T4 genotypes with significant pathogenic potential in this study reiterates the essential need to reassess the functionality of other genotypes that were previously classified as nonpathogenic isolates in past research.
Seroprevalence of Influenza A Virus in Dromedaries in North-Western Nigeria
Authors: Adamu Andrew M. , Furlong Morgan , Ogunlade Samson , Adikwu Alex A. , Anyang Annabel S. , Malgwi Arhyel , Abdulrahman Adeiza M. , Bida Nma A. , Owolodun Olajide A. , Adegboye Oyelola A.
Published: December 2022

Although influenza A virus is endemic in wild waterfowl, domestic poultry, swine, humans, bats, cetaceans, dogs, and horses, there is a paucity of data on the potential role of camels in zoonotic transmission of the virus. To estimate the seroprevalence of the influenza A virus in camel populations, four local government areas of Nigeria that share an international border with the Niger Republic were selected. Blood samples from 184 one-hump camels (dromedaries) were collected and tested for influenza IgG antigen by ELISA. Each camel’s demographic variable, such as age, gender, location, production system, and usage, was recorded. The overall seroprevalence rate of influenza virus IgG in this study was 10.33% (95%CI: 6.33–15.66%). In the bivariate model, there was no significant difference in gender, age, site location and production system, except for usage. There was a significantly lower seroprevalence rate among camels used for labour (odds ratio (OR) = 0.34, 95% CI: 0.10–0.97) than those used for meat consumption; however, not after adjusting for other variables in the model. Increase surveillance through early detection, prediction, and risk assessment of pathogens in animal reservoirs and environmental contamination as One Health strategies to reduce potential human spillover is recommended. Molecular epidemiology studies could better elucidate the role of camels in the dynamics of disease transmission pathways.
Rational Strategy for Designing Peptidomimetic Small Molecules Based on Cyclic Peptides Targeting Protein–Protein Interaction between CTLA-4 and B7-1
Authors: Tsuihiji Kumiko , Honda Eiji , Kojoh Kanehisa , Katoh Shizue , Taguri Tomonori , Yoshimori Atsushi , Takashima Hajime
Published: December 2022

Currently, various pharmaceutical modalities are being developed rapidly. Targeting protein–protein interactions (PPIs) is an important objective in such development. Cyclic peptides, because they have good specificity and activity, have been attracting much attention as an alternative to antibody drugs. However, cyclic peptides involve some difficulties, such as oral availability and cell permeability. Therefore, while small-molecule drugs still present many benefits, the screening of functional small-molecule compounds targeting PPIs requires a great deal of time and effort, including structural analysis of targets and hits. In this study, we investigated a rational two-step strategy to design small-molecule compounds targeting PPIs. First, we obtained inhibitory cyclic peptides that bind to cytotoxic T-lymphocyte-associated protein 4 (CTLA-4) by ribosomal display using PUREfrex® (PUREfrex®RD) to get structure–activity relation (SAR) information. Based on that information, we converted cyclic peptides to small molecules using PepMetics® scaffolds that can mimic the α-helix or β-turn of the peptide. Finally, we succeeded in generating small-molecule compounds with good IC50 (single-digit μM values) against CTLA-4. This strategy is expected to be a useful approach for small-molecule design targeting PPIs, even without having structural information such as that associated with X-ray crystal structures.
Insights into Lipid-Based Delivery Nanosystems of Protein-Tyrosine Kinase Inhibitors for Cancer Therapy
Authors: Jampilek Josef , Kralova Katarina
Published: December 2022

According to the WHO, cancer caused almost 10 million deaths worldwide in 2020, i.e., almost one in six deaths. Among the most common are breast, lung, colon and rectal and prostate cancers. Although the diagnosis is more perfect and spectrum of available drugs is large, there is a clear trend of an increase in cancer that ends fatally. A major advance in treatment was the introduction of gentler antineoplastics for targeted therapy–tyrosine kinase inhibitors (TKIs). Although they have undoubtedly revolutionized oncology and hematology, they have significant side effects and limited efficacy. In addition to the design of new TKIs with improved pharmacokinetic and safety profiles, and being more resistant to the development of drug resistance, high expectations are placed on the reformulation of TKIs into various drug delivery lipid-based nanosystems. This review provides an insight into the history of chemotherapy, a brief overview of the development of TKIs for the treatment of cancer and their mechanism of action and summarizes the results of the applications of self-nanoemulsifying drug delivery systems, nanoemulsions, liposomes, solid lipid nanoparticles, lipid-polymer hybrid nanoparticles and nanostructured lipid carriers used as drug delivery systems of TKIs obtained in vitro and in vivo.
Could the Lung Be a Gateway for Amphotericin B to Attack the Army of Fungi?
Authors: de Carvalho Patricio Beatriz Ferreira , da Silva Lopes Pereira Juliana Oliveira , Sarcinelli Michelle Alvares , de Moraes Bianca Portugal Tavares , Rocha Helvécio Vinicius Antunes , Gonçalves-de-Albuquerque Cassiano Felippe
Published: December 2022

Fungal diseases are a significant cause of morbidity and mortality worldwide, primarily affecting immunocompromised patients. Aspergillus, Pneumocystis, and Cryptococcus are opportunistic fungi and may cause severe lung disease. They can develop mechanisms to evade the host immune system and colonize or cause lung disease. Current fungal infection treatments constitute a few classes of antifungal drugs with significant fungi resistance development. Amphotericin B (AmB) has a broad-spectrum antifungal effect with a low incidence of resistance. However, AmB is a highly lipophilic antifungal with low solubility and permeability and is unstable in light, heat, and oxygen. Due to the difficulty of achieving adequate concentrations of AmB in the lung by intravenous administration and seeking to minimize adverse effects, nebulized AmB has been used. The pulmonary pathway has advantages such as its rapid onset of action, low metabolic activity at the site of action, ability to avoid first-pass hepatic metabolism, lower risk of adverse effects, and thin thickness of the alveolar epithelium. This paper presented different strategies for pulmonary AmB delivery, detailing the potential of nanoformulation and hoping to foster research in the field. Our finds indicate that despite an optimistic scenario for the pulmonary formulation of AmB based on the encouraging results discussed here, there is still no product registration on the FDA nor any clinical trial undergoing ClinicalTrial.gov.
Ultrasound-Assisted Extraction of Cannabinoids from Cannabis Sativa for Medicinal Purpose
Authors: Casiraghi Antonella , Gentile Andrea , Selmin Francesca , Gennari Chiara Grazia Milena , Casagni Eleonora , Roda Gabriella , Pallotti Gloria , Rovellini Pierangela , Minghetti Paola
Published: December 2022

Over the past 20 years, the interest in Cannabis oily extracts for medicinal use compounded in pharmacy has consistently grown, along with the need to have preparations of adequate quality. Hot maceration (M) is the most frequently used method to compound oily solutions. In this work, we systematically studied the possibility of using an ultrasonic homogenizer and a sonotrode (US) as an alternative extraction method. Oily solutions were prepared using two available varieties of Cannabis for medicinal use, called FM2 and Bedrocan. All preparations resulted with an equivalent content in CBD and THC, with the advantage of a faster process using US. In particular, 10 min sonication at the amplitude optimized for the sonotrode used (2 or 7 mm) provides not statistically different total Δ9-tetrahydrocannabinol (M-FM2: 0.26 ± 0.02 % w/w; US-FM2: 0.19 ± 0.004 % w/w; M-Bedrocan: 1.83 ± 0.17 % w/w; US-Bedrocan: 1.98 ± 0.01 % w/w) and total cannabidiol (M-FM2: 0.59 ± 0.04 % w/w; US-FM2: 0.58 ± 0.01 % w/w) amounts extracted in refined olive oil. It can therefore be confirmed that sonotrode is an efficient and fast extraction technique and its use is without negative consequence on the solvent properties. Despite DSC evidencing that both maceration and sonication modify the Tonset and enthalpy of the event at about −10 °C, the qualitative characteristics of the oil remained constant for the two treatments and similar to the starting material.
Involvement of miRNAs in Metabolic Herbicide Resistance to Bispyribac-Sodium in Echinochloa crus-galli (L.) P. Beauv.
Authors: Cusaro Carlo Maria , Grazioli Carolina , Capelli Enrica , Picco Anna Maria , Guarise Marta , Gozio Enrico , Zarpellon Pietro , Brusoni Maura
Published: December 2022

Several mechanisms involved in weed herbicide resistance are unknown, particularly those acting at the epigenetic level, such as the capacity of small-non-coding RNAs (sncRNAs) to target messenger RNAs of genes involved in herbicide detoxification. The transcription of these sncRNAs is stimulated by epigenetic factors, thereby affecting gene expression. This study was carried out in order to evaluate, for the first time in Echinochloa crus-galli (L.) P. Beauv. (barnyardgrass), the capacity of miRNAs to regulate the expression of genes associated with bispyribac-sodium detoxification. The expression profiles of eight miRNAs with a high degree of complementarity (≥80%) with mRNAs of genes involved in herbicide detoxification (CYP450, GST and eIF4B) were determined by qRT-PCR before and after herbicide spraying. Five of the miRNAs studied (gra-miR7487c, gma-miR396f, gra-miR8759, osa-miR395f, ath-miR847) showed an increased expression after herbicide application in both susceptible and resistant biotypes. All the miRNAs, except gra-miR8759, were more highly expressed in the herbicide-resistant biotypes. In specimens with increased expression of miRNAs, we observed reduced expression of the target genes. The remaining three miRNAs (ata-miR166c-5p, ath-miR396b-5p and osa-miR5538) showed no over-expression after herbicide treatment, and no difference in expression was recorded between susceptible and resistant biotypes. Our results represent a first overview of the capacity of miRNAs to regulate the expression of genes involved in bispyribac-sodium detoxification in the genus Echinochloa. Further research is required to identify novel miRNAs and target genes to develop more focused and sustainable strategies of weed control.
Ectomycorrhizal Fungi Modulate Pedunculate Oak’s Heat Stress Responses through the Alternation of Polyamines, Phenolics, and Osmotica Content
Authors: Kebert Marko , Kostić Saša , Čapelja Eleonora , Vuksanović Vanja , Stojnić Srđan , Markić Anđelina Gavranović , Zlatković Milica , Milović Marina , Galović Vladislava , Orlović Saša
Published: December 2022

The physiological and biochemical responses of pedunculate oaks (Quercus robur L.) to heat stress (HS) and mycorrhization (individually as well in combination) were estimated. One-year-old Q. robur seedlings were grown under controlled conditions in a pot experiment, inoculated with a commercial inoculum of ectomycorrhizal (ECM) fungi, and subjected to 72 h of heat stress (40 °C/30 °C day/night temperature, relative humidity 80%, photoperiod 16/8 h) in a climate chamber, and they were compared with seedlings that were grown at room temperature (RT). An in-depth analysis of certain well-known stress-related metrics such as proline, total phenolics, FRAP, ABTS, non-protein thiols, and lipid peroxidation revealed that mycorrhized oak seedlings were more resistant to heat stress (HS) than non-mycorrhized oaks. Additionally, levels of specific polyamines, total phenolics, flavonoids, and condensed tannins as well as osmotica (proline and glycine betaine) content were measured and compared between four treatments: plants inoculated with ectomycorrhizal fungi exposed to heat stress (ECM-HS) and those grown only at RT (ECM-RT) versus non-mycorrhized controls exposed to heat stress (NM-HS) and those grown only at room temperature (NM-RT). In ectomycorrhiza inoculated oak seedlings, heat stress led to not only a rise in proline, total phenols, FRAP, ABTS, non-protein thiols, and lipid peroxidation but a notable decrease in glycine betaine and flavonoids. Amounts of three main polyamines (putrescine, spermine, and spermidine) were quantified by using high-performance liquid chromatography coupled with fluorescent detection (HPLC/FLD) after derivatization with dansyl-chloride. Heat stress significantly increased putrescine levels in non-mycorrhized oak seedlings but had no effect on spermidine or spermine levels, whereas heat stress significantly increased all inspected polyamine levels in oak seedlings inoculated with ectomycorrhizal inoculum. Spermidine (SPD) and spermine (SPM) contents were significantly higher in ECM-inoculated plants during heat stress (approximately 940 and 630 nmol g−1 DW, respectively), whereas these compounds were present in smaller amounts in non-mycorrhized oak seedlings (between 510 and 550 nmol g−1 DW for Spd and between 350 and 450 nmol g−1 DW for Spm). These findings supported the priming and biofertilizer roles of ectomycorrhizal fungi in the mitigation of heat stress in pedunculate oaks by modification of polyamines, phenolics, and osmotica content.