bluuebunny/crossref_metadata_2025 huggingface dataset:
Fabrication and Model Characterization of the Electrical Conductivity of PVA/PPy/rGO Nanocomposite
Authors: Folorunso Oladipo , Onibonoje Moses Oluwafemi , Hamam Yskandar , Sadiku Rotimi , Ray Suprakas Sinha
Published: June 2022

Owing to the numerous advantages of graphene-based polymer nanocomposite, this study is focused on the fabrication of the hybrid of polyvinyl alcohol (PVA), polypyrrole (PPy), and reduced graphene-oxide. The study primarily carried out the experimentation and the mathematical analysis of the electrical conductivity of PVA/PPy/rGO nanocomposite. The preparation method involves solvent/drying blending method. Scanning electron microscopy was used to observe the morphology of the nanocomposite. The electrical conductivity of the fabricated PVA/PPy/rGO nanocomposite was investigated by varying the content of PPy/rGO on PVA. From the result obtained, it was observed that at about 0.4 (wt%) of the filler content, the nanocomposite experienced continuous conduction. In addition, Ondracek, Dalmas s-shape, dose–response, and Gaussian fitting models were engaged for the analysis of the electrical transport property of the nanocomposite. The models were validated by comparing their predictions with the experimental measurements. The results obtained showed consistency with the experimental data. Moreover, this study confirmed that the electrical conductivity of polymer-composite largely depends on the weight fraction of fillers. By considering the flexibility, simplicity, and versatility of the studied models, this study suggests their deployment for the optimal characterization/simulation tools for the prediction of the electrical conductivity of polymer-composites.
Neuroendocrine–Immune Regulatory Network of Eucommia ulmoides Oliver
Authors: Zhao Yi , Tan De-Chao , Peng Bo , Yang Lin , Zhang Si-Yuan , Shi Rui-Peng , Chong Cheong-Meng , Zhong Zhang-Feng , Wang Sheng-Peng , Liang Qiong-Lin , Wang Yi-Tao
Published: June 2022

Eucommia ulmoides Oliver (E. ulmoides) is a popular medicinal herb and health supplement in China, Japan, and Korea, and has a variety of pharmaceutical properties. The neuroendocrine–immune (NEI) network is crucial in maintaining homeostasis and physical or psychological functions at a holistic level, consistent with the regulatory theory of natural medicine. This review aims to systematically summarize the chemical compositions, biological roles, and pharmacological properties of E. ulmoides to build a bridge between it and NEI-associated diseases and to provide a perspective for the development of its new clinical applications. After a review of the literature, we found that E. ulmoides has effects on NEI-related diseases including cancer, neurodegenerative disease, hyperlipidemia, osteoporosis, insomnia, hypertension, diabetes mellitus, and obesity. However, clinical studies on E. ulmoides were scarce. In addition, E. ulmoides derivatives are diverse in China, and they are mainly used to enhance immunity, improve hepatic damage, strengthen bones, and lower blood pressure. Through network pharmacological analysis, we uncovered the possibility that E. ulmoides is involved in functional interactions with cancer development, insulin resistance, NAFLD, and various inflammatory pathways associated with NEI diseases. Overall, this review suggests that E. ulmoides has a wide range of applications for NEI-related diseases and provides a direction for its future research and development.
Quality of Beef Burgers Formulated with Fat Substitute in a Form of Freeze-Dried Hydrogel Enriched with Açai Oil
Authors: Hanula Monika , Szpicer Arkadiusz , Górska-Horczyczak Elżbieta , Khachatryan Gohar , Pogorzelska-Nowicka Ewelina , Poltorak Andrzej
Published: June 2022

The growing number of people at high risk of cardiovascular disease development contributed to both changes in diets by consumers and the reformulation of food products by food producers. Cardiovascular diseases are caused by the i.a. consumption of meat that contains animal fat rich in saturated fatty acids (SFA). The use of fat substitutes in meat seems to be a promising tool for the reduction of cardiovascular disease occurrence. In the presented study, beef fat was replaced at 0 (CO), 25 (S-25%), 50 (S-50%), 75 (S-75%), and 100% (S-100%) by a fat substitute in a form of a lyophilized hydrogel emulsion enriched with encapsulated açai oil. The chemical (TBARS, volatile compound profile, fatty acid profile, pH), and physical (TPA, consumer rating, L*a*b* color, cooking loss) analyses were performed on raw and grilled burgers subjected to storage at cold conditions (4 °C) in days 0 and 7. Burgers formulated with hydrogels had a higher content of polyunsaturated fatty acids (PUFAs) of about 32% (p < 0.05) and reduced SFAs by 22%. Reformulation of the burger resulted in lower nutritional indices of the atherogenicity index (AI) (0.8 for CO, 0.3 for S-100%, p < 0.05) and thrombogenicity index (TI) (1.8 for CO, 0.6 for S-100%, p < 0.05), as well as led to an increased h/H ratio (1.3 for CO, 3.9 for S-100%, p < 0.05). Furthermore the application of freeze-dried hydrogels reduced cooking loss. Moreover, consumers did not observe significant differences (p < 0.05) between the control and S-25% and S-50% burgers. Thus, the use of lyophilized hydrogels formulated with konjac flour and sodium alginate and enriched with encapsulated acai oil can be successfully applied as a fat substitute in beef burgers.
Expatiating the Pharmacological and Nanotechnological Aspects of the Alkaloidal Drug Berberine: Current and Future Trends
Authors: Behl Tapan , Singh Sukhbir , Sharma Neelam , Zahoor Ishrat , Albarrati Ali , Albratty Mohammed , Meraya Abdulkarim M. , Najmi Asim , Bungau Simona
Published: June 2022

Traditionally, herbal compounds have been the focus of scientific interest for the last several centuries, and continuous research into their medicinal potential is underway. Berberine (BBR) is an isoquinoline alkaloid extracted from plants that possess a broad array of medicinal properties, including anti-diarrheal, anti-fibrotic, antidiabetic, anti-inflammatory, anti-obesity, antihyperlipidemic, antihypertensive, antiarrhythmic, antidepressant, and anxiolytic effects, and is frequently utilized as a traditional Chinese medicine. BBR promotes metabolisms of glucose and lipids by activating adenosine monophosphate-activated protein kinase, stimulating glycolysis and inhibiting functions of mitochondria; all of these ameliorate type 2 diabetes mellitus. BBR has also been shown to have benefits in congestive heart failure, hypercholesterolemia, atherosclerosis, non-alcoholic fatty liver disease, Alzheimer’s disease, and polycystic ovary syndrome. BBR has been investigated as an interesting pharmacophore with the potential to contribute significantly to the research and development of novel therapeutic medicines for a variety of disorders. Despite its enormous therapeutic promise, the clinical application of this alkaloid was severely limited because of its unpleasant pharmacokinetic characteristics. Poor bioavailability, limited absorption, and poor water solubility are some of the obstacles that restricted its use. Nanotechnology has been suggested as a possible solution to these problems. The present review aims at recent updates on important therapeutic activities of BBR and different types of nanocarriers used for the delivery of BBR in different diseases.
Construction of ssDNA-Attached LR-Chimera Involving Z-DNA for ZBP1 Binding Analysis
Authors: Li Lin , An Ran , Liang Xingguo
Published: June 2022

The binding of proteins to Z-DNA is hard to analyze, especially for short non-modified DNA, because it is easily transferred to B-DNA. Here, by the hybridization of a larger circular single-stranded DNA (ssDNA) with a smaller one, an LR-chimera (involving a left-handed part and a right-handed one) with an ssDNA loop is produced. The circular ssDNAs are prepared by the hybridization of two ssDNA fragments to form two nicks, followed by nick sealing with T4 DNA ligase. No splint (a scaffold DNA for circularizing ssDNA) is required, and no polymeric byproducts are produced. The ssDNA loop on the LR-chimera can be used to attach it with other molecules by hybridization with another ssDNA. The gel shift binding assay with Z-DNA specific binding antibody (Z22) or Z-DNA binding protein 1 (ZBP1) shows that stable Z-DNA can form under physiological ionic conditions even when the extra ssDNA part is present. Concretely, a 5′-terminal biotin-modified DNA oligonucleotide complementary to the ssDNA loop on the LR-chimera is used to attach it on the surface of a biosensor inlaid with streptavidin molecules, and the binding constant of ZBP1 with Z-DNA is analyzed by BLI (bio-layer interferometry). This approach is convenient for quantitatively analyzing the binding dynamics of Z-DNA with other molecules.
Volatile Organic Compounds and Physiological Parameters as Markers of Potato (Solanum tuberosum L.) Infection with Phytopathogens
Authors: Steglińska Aleksandra , Pielech-Przybylska Katarzyna , Janas Regina , Grzesik Mieczysław , Borowski Sebastian , Kręgiel Dorota , Gutarowska Beata
Published: June 2022

The feasibility of early disease detection in potato seeds storage monitoring of volatile organic compounds (VOCs) and plant physiological markers was evaluated using 10 fungal and bacterial pathogens of potato in laboratory-scale experiments. Data analysis of HS-SPME-GC-MS revealed 130 compounds released from infected potatoes, including sesquiterpenes, dimethyl disulfide, 1,2,4-trimethylbenzene, 2,6,11-trimethyldodecane, benzothiazole, 3-octanol, and 2-butanol, which may have been associated with the activity of Fusarium sambucinum, Alternaria tenuissima and Pectobacterium carotovorum. In turn, acetic acid was detected in all infected samples. The criteria of selection for volatiles for possible use as incipient disease indicators were discussed in terms of potato physiology. The established physiological markers proved to demonstrate a negative effect of phytopathogens infecting seed potatoes not only on the kinetics of stem and root growth and the development of the entire root system, but also on gas exchange, chlorophyll content in leaves, and yield. The negative effect of phytopathogens on plant growth was dependent on the time of planting after infection. The research also showed different usefulness of VOCs and physiological markers as the indicators of the toxic effect of inoculated phytopathogens at different stages of plant development and their individual organs.
Monoterpenoid Glycosides from the Leaves of Ligustrum robustum and Their Bioactivities
Authors: Lu Shi-Hui , Huang Jing , Zuo Hao-Jiang , Zhou Zhong-Bo , Yang Cai-Yan , Huang Zu-Liang
Published: June 2022

The leaves of Ligustrum robustum have been applied as Ku-Ding-Cha, a functional tea to clear heat, remove toxins, and treat obesity and diabetes, in Southwest China. The phytochemical research on the leaves of L. robustum led to the isolation and identification of eight new monoterpenoid glycosides (1–8) and three known monoterpenoid glycosides (9–11). Compounds 1–11 were tested for the inhibitory activities on fatty acid synthase (FAS), α-glucosidase, α-amylase, and the antioxidant effects. Compound 2 showed stronger FAS inhibitory activity (IC50: 2.36 ± 0.10 μM) than the positive control orlistat (IC50: 4.46 ± 0.13 μM), while compounds 1, 2, 5 and 11 displayed more potent ABTS radical scavenging activity (IC50: 6.91 ± 0.10~9.41 ± 0.22 μM) than the positive control L-(+)-ascorbic acid (IC50: 10.06 ± 0.19 μM). This study provided a theoretical basis for the leaves of L. robustum as a functional tea to treat obesity.
Fatty Acid Composition and Cytotoxic Activity of Lipid Extracts from Nannochloropsis gaditana Produced by Green Technologies
Authors: Castejón Natalia , Marko Doris
Published: June 2022

Microalgae are alternatives and sustainable sources of omega-3 long chain-polyunsaturated fatty acids (LC-PUFA). However, the eco-friendly extraction of these bioactives remains unexplored. In this work, the use of enzyme-based methods in combination with ultrasounds was evaluated as green approaches to extract the omega-3 lipids from Nannochloropsis gaditana. Three commercial enzymatic solutions (Viscozyme® L, Celluclast® 1.5 L, and Saczyme®) were investigated, and results were compared with the traditional Folch method. A promising extraction approach was developed by using Saczyme®, achieving a lipid yield of 25.7% ± 0.5, comparable to the traditional method (27.3% ± 0.7) (p > 0.05). Similar omega-3 content was found by GC–MS analysis for both lipid extracts (30.2% ± 2.4 and 29.3% ± 0.8 for the green and the traditional method, respectively), showing that the green approaches did not affect the fatty acid profile. Moreover, the cytotoxic activity of produced lipids was assessed by comparing human colon cancer cells (HCT-116) and epithelial nontumorigenic immortalized cells (HCEC-1CT). Results suggest that the lipid extracts have a selective effect, reducing the viability of the colon carcinoma cells but not the nontumorigenic cells. Thus, this study provides new eco-innovative approaches for extracting the omega-3 LC-PUFA from microalgae with promising biological properties.
Effects of Smoking on Inflammatory-Related Cytokine Levels in Human Serum
Authors: Wang Hongjuan , Chen Huan , Fu Yaning , Liu Min , Zhang Jingni , Han Shulei , Tian Yushan , Hou Hongwei , Hu Qingyuan
Published: June 2022

Cardiovascular and respiratory diseases, and several cancers resulting from tobacco smoking, are initially characterized by chronic systemic inflammation. Cytokine imbalances can result in inflammation, making it important to understand the pathological mechanisms behind cytokine production. In this study, we collected blood samples from 78 healthy male volunteers, including non-smokers (n = 30), current smokers (n = 30), and ex-smokers (n = 18), and utilized the liquid suspension chip technique to investigate and compare the expression levels of 17 cytokines and chemokines in the human serum of these volunteers. The results demonstrated that the expression levels of CXCL9/MIG and sIL-6R significantly increased after smoking, and continued to increase after quitting smoking. The expression levels of TARC, ITAC, and sVEGFR-3 increased after smoking but decreased after quitting smoking; the expression level of SAA significantly decreased after smoking and showed an upward trend after quitting smoking. Seven cytokines (IL-1β, BCA-1, TNF-α, CRP, ENA-78, MDC, and TNFRII) did not vary between the three groups, while four cytokines (IL-1α, IL-6, IL-8, and SCF) were not detected in any serum sample. In conclusion, this study assessed the physiological production of cytokines and chemokines, highlighting the differences in each due to smoking status. Our results could help evaluate the early development of smoking-related chronic diseases and cancers.
Azides in the Synthesis of Various Heterocycles
Authors: Nayl AbdElAziz A. , Aly Ashraf A. , Arafa Wael A. A. , Ahmed Ismail M. , Abd-Elhamid Ahmed I. , El-Fakharany Esmail M. , Abdelgawad Mohamed A. , Tawfeek Hendawy N. , Bräse Stefan
Published: June 2022

In this review, we focus on some interesting and recent examples of various applications of organic azides such as their intermolecular or intramolecular, under thermal, catalyzed, or noncatalyzed reaction conditions. The aforementioned reactions in the aim to prepare basic five-, six-, organometallic heterocyclic-membered systems and/or their fused analogs. This review article also provides a report on the developed methods describing the synthesis of various heterocycles from organic azides, especially those reported in recent papers (till 2020). At the outset, this review groups the synthetic methods of organic azides into different categories. Secondly, the review deals with the functionality of the azido group in chemical reactions. This is followed by a major section on the following: (1) the synthetic tools of various heterocycles from the corresponding organic azides by one-pot domino reaction; (2) the utility of the chosen catalysts in the chemoselectivity favoring C−H and C-N bonds; (3) one-pot procedures (i.e., Ugi four-component reaction); (4) nucleophilic addition, such as Aza-Michael addition; (5) cycloaddition reactions, such as [3+2] cycloaddition; (6) mixed addition/cyclization/oxygen; and (7) insertion reaction of C-H amination. The review also includes the synthetic procedures of fused heterocycles, such as quinazoline derivatives and organometal heterocycles (i.e., phosphorus-, boron- and aluminum-containing heterocycles). Due to many references that have dealt with the reactions of azides in heterocyclic synthesis (currently more than 32,000), we selected according to generality and timeliness. This is considered a recent review that focuses on selected interesting examples of various heterocycles from the mechanistic aspects of organic azides.
Physicochemical Characteristics and Antidiabetic Properties of the Polysaccharides from Pseudostellaria heterophylla
Authors: Liu Yingying , Kan Yongjun , Huang Yating , Jiang Chang , Zhao Li , Hu Juan , Pang Wensheng
Published: June 2022

This study aimed to investigate the Pseudostellaria heterophylla polysaccharides (PF40) physicochemical and antidiabetic characteristics. The ultraviolet–visible (UV) spectra, Fourier transform infrared radiation (FT-IR) spectra, nuclear magnetic resonance (NMR) spectra, zeta potential, surface characteristics, and conformational and thermal stability properties of PF40 were characterized. X-ray diffraction (XRD) and scanning electron microscopy (SEM), combined with Congo red test, revealed that PF40 powder has mainly existed in amorphous form with triple-helix conformation. The single-molecular structure of PF40 exhibited a multi-branched structure extending from the center to the periphery by scanning probe microscopy (SPM) scanning. The monosaccharide residue of PF40 was an α-pyranoid ring and exhibits good stability below 168 °C. Experimental studies on antidiabetic characteristics found that PF40 could significantly improve STZ-induced intestinal mucosal damage and reduce the apoptosis of villus epithelial cells. PF40 combined with metformin could significantly improve the symptoms of insulin resistance in type 2 diabetes mellitus (T2DM) rats, the molecular mechanism might be through inhibiting the expression of RORγ protein and increasing Foxp3 protein in the jejunum of T2DM rats, and then restoring the STZ-induced imbalance of T helper 17(Th17)/ regulatory T cells (Treg) cells, thereby maintaining intestinal immune homeostasis. Results identified in this study provided important information regarding the structure and antidiabetic characteristics of Pseudostellaria heterophylla polysaccharides, which can contribute to the development of Pseudostellaria heterophylla polysaccharides for industrial purposes in the future.
Prediction of Intact N-Glycopeptide Retention Time Windows in Hydrophilic Interaction Liquid Chromatography
Authors: Kozlik Petr , Molnarova Katarina , Jecmen Tomas , Krizek Tomas , Bosakova Zuzana
Published: June 2022

Analysis of protein glycosylation is challenging due to micro- and macro-heterogeneity of the attached glycans. Hydrophilic interaction liquid chromatography (HILIC) is a mode of choice for separation of intact glycopeptides, which are inadequately resolved by reversed phase chromatography. In this work, we propose an easy-to-use model to predict retention time windows of glycopeptides in HILIC. We constructed this model based on the parameters derived from chromatographic separation of six differently glycosylated peptides obtained from tryptic digests of three plasma proteins: haptoglobin, hemopexin, and sex hormone-binding globulin. We calculated relative retention times of different glycoforms attached to the same peptide to the bi-antennary form and showed that the character of the peptide moiety did not significantly change the relative retention time differences between the glycoforms. To challenge the model, we assessed chromatographic behavior of fetuin glycopeptides experimentally, and their retention times all fell within the calculated retention time windows, which suggests that the retention time window prediction model in HILIC is sufficiently accurate. Relative retention time windows provide complementary information to mass spectrometric data, and we consider them useful for reliable determination of protein glycosylation in a site-specific manner.
PET Imaging of the Neuropeptide Y System: A Systematic Review
Authors: Fonseca Inês C. F. , Castelo-Branco Miguel , Cavadas Cláudia , Abrunhosa Antero J.
Published: June 2022

Neuropeptide Y (NPY) is a vastly studied biological peptide with numerous physiological functions that activate the NPY receptor family (Y1, Y2, Y4 and Y5). Moreover, these receptors are correlated with the pathophysiology of several diseases such as feeding disorders, anxiety, metabolic diseases, neurodegenerative diseases, some types of cancers and others. In order to deepen the knowledge of NPY receptors’ functions and molecular mechanisms, neuroimaging techniques such as positron emission tomography (PET) have been used. The development of new radiotracers for the different NPY receptors and their subsequent PET studies have led to significant insights into molecular mechanisms involving NPY receptors. This article provides a systematic review of the imaging biomarkers that have been developed as PET tracers in order to study the NPY receptor family.
Pennelliiside D, a New Acyl Glucose from Solanum pennellii and Chemical Synthesis of Pennelliisides
Authors: Masimbula Rishni , Kobayashi Hiroto , Nakashima Tenki , Nambu Yurika , Kitaoka Naoki , Matsuura Hideyuki
Published: June 2022

Acyl glucoses are a group of specialized metabolites produced by Solanaceae. Solanum pennellii, a wild-type tomato plant, produces acyl glucoses in its hair-like epidermal structures known as trichomes. These compounds have been found to be herbicides, microbial growth inhibitors, or allelopathic compounds. However, there are a few reports regarding isolation and investigation of biological activities of acyl glucoses in its pure form due to the difficulty of isolation. Here, we report a new acyl glucose, pennelliiside D, isolated and identified from S. pennellii. Its structure was determined by 1D NMR and 2D NMR, together with FD-MS analysis. To clarify the absolute configuration of the acyl moiety of 2-methylbutyryl in the natural compound, two possible isomers were synthesized starting from β-D-glucose pentaacetate. By comparing the spectroscopic data of natural and synthesized compounds of isomers, the structure of pennelliiside D was confirmed to be 3,4-O-diisobutyryl-2-O-((S)-2-methylbutyryl)-D-glucose. Pennelliiside D and its constituent fatty acid moiety, (S)-2-methylbutanoic acid, did not show root growth-inhibitory activity. Additionally, in this study, chemical synthesis pathways toward pennelliisides A and B were adapted to give 1,6-O-dibenzylpennelliisides A and B.
Synthesis, Anticancer Potential and Comprehensive Toxicity Studies of Novel Brominated Derivatives of Bacterial Biopigment Prodigiosin from Serratia marcescens ATCC 27117
Authors: Lazic Jelena , Skaro Bogojevic Sanja , Vojnovic Sandra , Aleksic Ivana , Milivojevic Dusan , Kretzschmar Martin , Gulder Tanja , Petkovic Milos , Nikodinovic-Runic Jasmina
Published: June 2022

Prodigiosins (prodiginines) are a class of bacterial secondary metabolites with remarkable biological activities and color. In this study, optimized production, purification, and characterization of prodigiosin (PG) from easily accessible Serratia marcescens ATCC 27117 strain has been achieved to levels of 14 mg/L of culture within 24 h. Furthermore, environmentally friendly bromination of produced PG was used to afford both novel mono- and dibrominated derivatives of PG. PG and its Br derivatives showed anticancer potential with IC50 values range 0.62–17.00 µg/mL for all tested cancer cell lines and induction of apoptosis but low selectivity against healthy cell lines. All compounds did not affect Caenorhabditiselegans at concentrations up to 50 µg/mL. However, an improved toxicity profile of Br derivatives in comparison to parent PG was observed in vivo using zebrafish (Danio rerio) model system, when 10 µg/mL applied at 6 h post fertilization caused death rate of 100%, 30% and 0% by PG, PG-Br, and PG-Br2, respectively, which is a significant finding for further structural optimizations of bacterial prodigiosins. The drug-likeness of PG and its Br derivatives was examined, and the novel Br derivatives obey the Lipinski’s “rule of five”, with an exemption of being more lipophilic than PG, which still makes them good targets for further structural optimization.
Measurement of 90Sr in Marine Biological Samples
Authors: Deng Fangfang , Lin Feng
Published: June 2022

Strontium-90 (90Sr) is one of the most hazardous radionuclides, and it contributes to radiation exposure by ingestion. The routine determination of 90Sr in marine biological samples is highly desirable given the development of the nuclear power industry. A fast, simple, and low-detection-limit method was developed for the measurement of 90Sr in marine biological samples based on determining 90Y by means of coprecipitation and solvent extraction with bis-2-ethylhexyl-phosphoric acid (HDEHP) in n-heptane. The interfering 210Bi is removed using Bi2S3 precipitation. The separation and purification of eight samples per day can be accomplished through this method. The detection limit of 90Sr for this method is 0.10 Bq/kg (ash weight). The radiochemical procedure was validated by fitting the decay curve of the sample source and by the determination of 90Sr standards.
Established Liposome-Coated IMB16-4 Polymeric Nanoparticles (LNPs) for Increasing Cellular Uptake and Anti-Fibrotic Effects In Vitro
Authors: Niu Xia , Meng Yanan , Wang Yucheng , Li Guiling
Published: June 2022

As a global health problem, liver fibrosis still does not have approved treatment. It was proved that N-(3,4,5-trichlorophenyl)-2(3-nitrobenzenesulfonamide) benzamide (IMB16-4) has anti-hepatic fibrosis activity. However, IMB16-4 displays poor water solubility and poor bioavailability. We are devoted to developing biodegraded liposome-coated polymeric nanoparticles (LNPs) as IMB16-4 delivery systems for improving aqueous solubility, cellular uptake, and anti-fibrotic effects. The physical states of IMB16-4−LNPs were analyzed using a transmission electron microscope (TEM), high-performance liquid chromatography (HPLC), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and differential scanning calorimeter (DSC). The results show that IMB16-4−LNPs increased the drug loading compared to liposomes and enhanced cellular uptake behavior compared with IMB16-4−NPs. In addition, IMB16-4−LNPs could repress the expression of hepatic fibrogenesis-associated proteins, indicating that IMB16-4−LNPs exhibited evident anti-fibrotic effects.
Health Benefits of Cereal Grain- and Pulse-Derived Proteins
Authors: Bouchard Jenny , Malalgoda Maneka , Storsley Joanne , Malunga Lovemore , Netticadan Thomas , Thandapilly Sijo
Published: June 2022

Pulses and whole grains are considered staple foods that provide a significant amount of calories, fibre and protein, making them key food sources in a nutritionally balanced diet. Additionally, pulses and whole grains contain many bioactive compounds such as dietary fibre, resistant starch, phenolic compounds and mono- and polyunsaturated fatty acids that are known to combat chronic disease. Notably, recent research has demonstrated that protein derived from pulse and whole grain sources contains bioactive peptides that also possess disease-fighting properties. Mechanisms of action include inhibition or alteration of enzyme activities, vasodilatation, modulation of lipid metabolism and gut microbiome and oxidative stress reduction. Consumer demand for plant-based proteins has skyrocketed primarily based on the perceived health benefits and lower carbon footprint of consuming foods from plant sources versus animal. Therefore, more research should be invested in discovering the health-promoting effects that pulse and whole grain proteins have to offer.
Synthesis and Characterization of Novel Heterocyclic Chalcones from 1-Phenyl-1H-pyrazol-3-ol
Authors: Urbonavičius Arminas , Fortunato Graziana , Ambrazaitytė Emilija , Plytninkienė Elena , Bieliauskas Aurimas , Milišiūnaitė Vaida , Luisi Renzo , Arbačiauskienė Eglė , Krikštolaitytė Sonata , Šačkus Algirdas
Published: June 2022

An efficient synthetic route to construct diverse pyrazole-based chalcones from 1-phenyl-1H-pyrazol-3-ols bearing a formyl or acetyl group on the C4 position of pyrazole ring, employing a base-catalysed Claisen–Schmidt condensation reaction, is described. Isomeric chalcones were further reacted with N-hydroxy-4-toluenesulfonamide and regioselective formation of 3,5-disubstituted 1,2-oxazoles was established. The novel pyrazole-chalcones and 1,2-oxazoles were characterized by an in-depth analysis of NMR spectral data, which were obtained through a combination of standard and advanced NMR spectroscopy techniques.
Size-Induced Highly Selective Synthesis of Organometallic Rectangular Macrocycles and Heterometallic Cage Based on Half-Sandwich Rhodium Building Block
Authors: Dang Li-Long , Chen Tian , Zhang Ting-Ting , Li Ting-Ting , Song Jun-Liang , Zhang Ke-Jia , Ma Lu-Fang
Published: June 2022

The controlled synthesis of organometallic supramolecular macrocycles cages remains interesting and challenging work in the field of supramolecular chemistry. Here, two tetranuclear rectangular macrocycles and an octuclear cage were designed and synthesized utilizing a rigid and functionalized pillar linker, 2,6-bis(pyridin-4-yl)-1,7-dihydrobenzo [1,2-d:4,5-d′]diimidazole (BBI4PY) based on three half-sandwich rhodium building blocks bearing different sizes. X-ray crystallography in combination with 1H NMR spectroscopy elucidated that the two building blocks with shorter spacers only result in rectangular macrocycles. However, the building block of bulkier size to avoid the π-π stacking interactions between two ligands BBI4PY led to the formation of an octuclear cage complex. The latter cage contains two types of metal ions, namely Rh3+ and Cu2+, showing significant characteristics of heterogeneous metal-assembling compounds. In addition, the cage accommodates two free isopropyl ether solvent molecules, thus displaying host–guest behavior.
Neuropeltis acuminata (P. Beauv.): Investigation of the Chemical Variability and In Vitro Anti-inflammatory Activity of the Leaf Essential Oil from the Ivorian Species
Authors: Kambiré Didjour Albert , Kablan Ahmont Claude Landry , Yapi Thierry Acafou , Vincenti Sophie , Maury Jacques , Baldovini Nicolas , Tomi Pierre , Paoli Mathieu , Boti Jean Brice , Tomi Félix
Published: June 2022

The variability of chemical composition of the leaf essential oil (EO) from Neuropeltis acuminata, a climbing liana growing wild in Ivory Coast, was investigated for the first time. The in vitro anti-inflammatory activity was also evaluated. Thirty oil samples were isolated from leaves collected in three forests of the country and analyzed using a combination of Column Chromatography (CC), Gas Chromatography with Retention Indices (GC(FID)), Gas Chromatography-Mass Spectrometry (GC-MS), and 13Carbon-Nuclear Magnetic Resonance (13C-NMR). Fractionation by CC led to the first-time isolation from natural source of δ-cadinen-11-ol, whose structural elucidation by one dimension (1D) and 2D-NMR spectroscopy is reported here. Finally, 103 constituents accounting for 95.7 to 99.6% of the samples’ compositions were identified. As significant variations of the major constituents were observed, the 30 oil compositions were submitted to hierarchical cluster and principal components analyses. Five distinct groups were evidenced: Group I, dominated by (E)-β-caryophyllene, kessane, and δ-cadinene, while the main constituents of Group II were germacrene B, ledol, α-humulene, (E)-γ-bisabolen-12-ol, and γ-elemene. Group III exhibited guaiol, germacrene D, atractylone, (E)-γ-bisabolen-12-ol, δ-cadinene and bulnesol as main compounds. Group IV was dominated by (E)-nerolidol, guaiol, selina-4(15),7(11)-diene and bulnesol, whereas (E)-β-caryophyllene, α-humulene and α-muurolene were the prevalent compounds of Group V. As the harvest took place in the same dry season in the three forests, the observed chemical variability could be related to harvest sites, which includes climatic and pedologic factors, although genetic factors could not be excluded. The leaf oil sample S24 behaved as a high inhibitor of LipOXygenase (LOX) activity (half maximum Inhibitory Concentration, IC50: 0.059 ± 0.001 mg mL−1), suggesting an anti-inflammatory potential.
Development of Reduced Peptide Bond Pseudopeptide Michael Acceptors for the Treatment of Human African Trypanosomiasis
Authors: Previti Santo , Ettari Roberta , Di Chio Carla , Ravichandran Rahul , Bogacz Marta , Hellmich Ute A. , Schirmeister Tanja , Cosconati Sandro , Zappalà Maria
Published: June 2022

Human African Trypanosomiasis (HAT) is an endemic protozoan disease widespread in the sub-Saharan region that is caused by T. b. gambiense and T. b. rhodesiense. The development of molecules targeting rhodesain, the main cysteine protease of T. b. rhodesiense, has led to a panel of inhibitors endowed with micro/sub-micromolar activity towards the protozoa. However, whilst impressive binding affinity against rhodesain has been observed, the limited selectivity towards the target still remains a hard challenge for the development of antitrypanosomal agents. In this paper, we report the synthesis, biological evaluation, as well as docking studies of a series of reduced peptide bond pseudopeptide Michael acceptors (SPR10–SPR19) as potential anti-HAT agents. The new molecules show Ki values in the low-micro/sub-micromolar range against rhodesain, coupled with k2nd values between 1314 and 6950 M−1 min−1. With a few exceptions, an appreciable selectivity over human cathepsin L was observed. In in vitro assays against T. b. brucei cultures, SPR16 and SPR18 exhibited single-digit micromolar activity against the protozoa, comparable to those reported for very potent rhodesain inhibitors, while no significant cytotoxicity up to 70 µM towards mammalian cells was observed. The discrepancy between rhodesain inhibition and the antitrypanosomal effect could suggest additional mechanisms of action. The biological characterization of peptide inhibitor SPR34 highlights the essential role played by the reduced bond for the antitrypanosomal effect. Overall, this series of molecules could represent the starting point for further investigations of reduced peptide bond-containing analogs as potential anti-HAT agents
Novel Radioiodinated and Radiofluorinated Analogues of FT-2102 for SPECT or PET Imaging of mIDH1 Mutant Tumours
Authors: Weber Valérie , Arnaud Lucie , Dukic-Stefanovic Sladjana , Wenzel Barbara , Roux Valérie , Chezal Jean-Michel , Lai Thu-Hang , Teodoro Rodrigo , Kopka Klaus , Miot-Noirault Elisabeth , Deuther-Conrad Winnie , Maisonial-Besset Aurélie
Published: June 2022

Isocitrate dehydrogenases (IDHs) are metabolic enzymes commonly mutated in human cancers (glioma, acute myeloid leukaemia, chondrosarcoma, and intrahepatic cholangiocarcinoma). These mutated variants of IDH (mIDH) acquire a neomorphic activity, namely, conversion of α-ketoglutarate to the oncometabolite D-2-hydroxyglutarate involved in tumourigenesis. Thus, mIDHs have emerged as highly promising therapeutic targets, and several mIDH specific inhibitors have been developed. However, the evaluation of mIDH status, currently performed by biopsy, is essential for patient stratification and thus treatment and follow-up. We report herein the development of new radioiodinated and radiofluorinated analogues of olutasidenib (FT-2102) as tools for noninvasive single photon emission computed tomography (SPECT) or positron emission tomography (PET) imaging of mIDH1 up- and dysregulation in tumours. Nonradiolabelled derivatives 2 and 3 halogenated at position 6 of the quinolinone scaffold were synthesised and tested in vitro for their inhibitory potencies and selectivities in comparison with the lead compound FT-2102. Using a common organotin precursor, (S)-[125I]2 and (S)-[18F]3 were efficiently synthesised by radio-iododemetallation and copper-mediated radiofluorination, respectively. Both radiotracers were stable at room temperature in saline or DPBS solution and at 37 °C in mouse serum, allowing future planning of their in vitro and in vivo evaluations in glioma and chondrosarcoma models.
UPLC–Q–TOF–MS/MS Analysis of Phenolic Compounds from the Fruit of Cephalostachyum fuchsianum Gamble and Their Antioxidant and Cytoprotective Activities
Authors: Wang Yan , Li Yongqiang , Chen Bi , Deng Xianfeng , Luo Qin , Zao Xingru
Published: June 2022

Bamboo is a widely distributed graminaceous plant in China and is a potential source of bioactive substances. Incidentally, bamboo’s fruit is rich in phytochemicals such as polyphenols and flavonoids, which are significant to human health. In this study, we identified the phenolic compounds of the fruit and investigated the antioxidant activities of Cephalostachyum fuchsianum Gamble (CFG) fruit polyphenols with in vitro and in vivo tests for the first time. UPLC–Q–TOF–MS/MS analysis results showed that the fruit contained 43 phenolic compounds, including 7 hydroxybenzoic acids, 12 flavonoids, 7 coumarins, 10 hydroxycinnamic acids, 1 terpenoid, and 5 lignans. The TPC of SP extracts was higher than that of IBPs extracts in FP and FF. The SP extracts in FP showed better antioxidant activities in vitro compared to those in FF. In addition, polyphenols from CFG fruits protected against H2O2-induced oxidative damage in HepG2 cells, and the protective effect of polyphenols in FP was superior to that in FF. The analysis results showed that CFG fruit has great potential in exploiting natural chemical substances, which can provide valuable pieces of information for the further development and utilization of CFG.
Redox-Switchable Behavior of Transition-Metal Complexes Supported by Amino-Decorated N-Heterocyclic Carbenes
Authors: Ruamps Mirko , Bastin Stéphanie , Rechignat Lionel , Sournia-Saquet Alix , Vendier Laure , Lugan Noël , Mouesca Jean-Marie , Valyaev Dmitry A. , Maurel Vincent , César Vincent
Published: June 2022

The coordination chemistry of the N-heterocyclic carbene ligand IMes(NMe2)2, derived from the well-known IMes ligand by substitution of the carbenic heterocycle with two dimethylamino groups, was investigated with d6 [Mn(I), Fe(II)], d8 [Rh(I)], and d10 [Cu(I)] transition-metal centers. The redox behavior of the resulting organometallic complexes was studied through a combined experimental/theoretical study, involving electrochemistry, EPR spectroscopy, and DFT calculations. While the complexes [CuCl(IMes(NMe2)2)], [RhCl(COD)(IMes(NMe2)2)], and [FeCp(CO)2 (IMes(NMe2)2)](BF4) exhibit two oxidation waves, the first oxidation wave is fully reversible but only for the first complex the second oxidation wave is reversible. The mono-oxidation event for these complexes occurs on the NHC ligand, with a spin density mainly located on the diaminoethylene NHC-backbone, and has a dramatic effect on the donating properties of the NHC ligand. Conversely, as the Mn(I) center in the complex [MnCp(CO)2 ((IMes(NMe2)2)] is easily oxidizable, the latter complex is first oxidized on the metal center to form the corresponding cationic Mn(II) complex, and the NHC ligand is oxidized in a second reversible oxidation wave.
Influence of Aliphatic Chain Length on Structural, Thermal and Electrochemical Properties of n-alkylene Benzyl Alcohols: A Study of the Odd–Even Effect
Authors: Balić Tomislav , Paurević Marija , Počkaj Marta , Medvidović-Kosanović Martina , Goman Dominik , Széchenyi Aleksandar , Preisz Zsolt , Kunsági-Máté Sándor
Published: June 2022

The century-old, well-known odd–even effect phenomenon is still a very attractive and intriguing topic in supramolecular and nano-scale organic chemistry. As a part of our continuous efforts in the study of supramolecular chemistry, we have prepared three novel aromatic alcohols (1,2-bis[2-(hydroxymethyl)phenoxy]butylene (Do4OH), 1,2-bis[2-(hydroxymethyl)phenoxy]pentylene (Do5OH) and 1,2-bis[2-(hydroxymethyl)phenoxy]hexylene (Do6OH)) and determined their crystal and molecular structures by single-crystal X-ray diffraction. In all compounds, two benzyl alcohol groups are linked by an aliphatic chain of different lengths (CH2)n; n = 4, 5 and 6. The major differences in the molecular structures were found in the overall planarity of the molecules and the conformation of the aliphatic chain. Molecules with an even number of CH2 groups tend to be planar with an all-trans conformation of the aliphatic chain, while the odd-numbered molecule is non-planar, with partial gauche conformation. A direct consequence of these structural differences is visible in the melting points—odd-numbered compounds of a particular series display systematically lower melting points. Crystal and molecular structures were additionally studied by the theoretical calculations and the melting points were correlated with packing density and the number of CH2 groups. The results have shown that the generally accepted rule, higher density = higher stability = higher melting point, could not be applied to these compounds. It was found that the denser packaging causes an increase in the percentage of repulsive H‧‧‧H interactions, thereby reducing the stability of the crystal, and consequently, the melting points. Another interesting consequence of different molecular structures is their electrochemical and antioxidative properties—a non-planar structure displays the highest oxidation peak of hydroxyl groups and moderate antioxidant activity.
Effect of Strain on the Electronic Structure and Phonon Stability of SrBaSn Half Heusler Alloy
Authors: Khandy Shakeel Ahmad , Islam Ishtihadah , Kaur Kulwinder , Ali Atif Mossad , Abd El-Rehim Alaa F.
Published: June 2022

This paper presents the strain effects on the structural, electronic and phonon properties of a newly proposed SrBaSn half Heusler compound. Since it is stable considering chemical thermodynamics, we tested its strength against uniform strain w.r.t phonon spectrum and it produces a direct bandgap of 0.7 eV. The direct bandgap reduces to 0.19 eV at −12% strain beyond which the structure is unstable. However, an indirect gap of 0.63 eV to 0.39 eV is observed in the range of +5% to +8% strain and afterwards the strain application destabilizes the structure. From elastic parameters, the ductile nature of this material is observed.
Potential Use of Tea Tree Oil as a Disinfectant Agent against Coronaviruses: A Combined Experimental and Simulation Study
Authors: Romeo Alice , Iacovelli Federico , Scagnolari Carolina , Scordio Mirko , Frasca Federica , Condò Roberta , Ammendola Serena , Gaziano Roberta , Anselmi Maurizio , Divizia Maurizio , Falconi Mattia
Published: June 2022

The COVID-19 pandemic has highlighted the relevance of proper disinfection procedures and renewed interest in developing novel disinfectant materials as a preventive strategy to limit SARS-CoV-2 contamination. Given its widely known antibacterial, antifungal, and antiviral properties, Melaleuca alternifolia essential oil, also named Tea tree oil (TTO), is recognized as a potential effective and safe natural disinfectant agent. In particular, the proposed antiviral activity of TTO involves the inhibition of viral entry and fusion, interfering with the structural dynamics of the membrane and with the protein envelope components. In this study, for the first time, we demonstrated the virucidal effects of TTO against the feline coronavirus (FCoVII) and the human coronavirus OC43 (HCoV-OC43), both used as surrogate models for SARS-CoV-2. Then, to atomistically uncover the possible effects exerted by TTO compounds on the outer surface of the SARS-CoV-2 virion, we performed Gaussian accelerated Molecular Dynamics simulations of a SARS-CoV-2 envelope portion, including a complete model of the Spike glycoprotein in the absence or presence of the three main TTO compounds (terpinen-4-ol, γ-terpinene, and 1,8-cineole). The obtained results allowed us to hypothesize the mechanism of action of TTO and its possible use as an anti-coronavirus disinfectant agent.
Smartphone Usage and Studying: Investigating Relationships between Type of Use and Self-Regulatory Skills
Authors: Hartley Kendall , Bendixen Lisa D. , Shreve Emily , Gianoutsos Dan
Published: June 2022

The purpose of this study is to investigate the relationships between self-regulated learning skills and smartphone usage in relation to studying. It is unclear whether poor learning habits related to smartphone usage are unique traits or a reflection of existing self-regulated learning skills. The self-regulatory skills (a) regulation, (b) knowledge, and (c) management of cognition were measured and compared to the smartphone practices (a) multitasking, (b) avoiding distractions, and (c) mindful use. First-year undergraduates (n = 227) completed an online survey of self-regulatory skills and common phone practices. The results support the predictions that self-regulatory skills are negatively correlated with multitasking while studying and are positively correlated with distraction avoidance and mindful use of the phone. The management of cognition factor, which includes effort, time, and planning, was strongly correlated with multitasking (r = −0.20) and avoiding distractions (r = 0.45). Regulation of cognition was strongly correlated with mindful use (r = 0.33). These results support the need to consider the relationship between self-regulation and smartphone use as it relates to learning.
Evaluating Progressive Web App Accessibility for People with Disabilities
Authors: Roumeliotis Konstantinos I. , Tselikas Nikolaos D.
Published: June 2022

App development is a steadily growing industry. Progressive web apps (PWAs) constitute a technology inspired by native and hybrid apps; they use web technologies to create web and mobile apps. Based on a service worker, a caching mechanism, and an app shell, PWAs aim to offer web apps with features and user interfaces similar to those of native apps. Furthermore, technological development has created a greater need for accessibility. An increasing number of websites, even government ones, are overlooking the need for equal access to new technologies among people with disabilities. This article presents, in a systematic review format, both PWAs and web accessibility and aims to evaluate PWAs’ effectiveness as regards the corresponding accessibility provided.