bluuebunny/crossref_metadata_2025 huggingface dataset:
Bridged 1,2,4-Trioxolanes: SnCl4—Catalyzed Synthesis and an In Vitro Study against S. mansoni
Authors: Radulov Peter S. , Yaremenko Ivan A. , Keiser Jennifer , Terent’ev Alexander O.
Published: June 2023

A synthesis of bridged 1,2,4-trioxolanes (bridged ozonides) from 1,5-diketones and hydrogen peroxide catalyzed by SnCl4 was developed. It was shown that the ratio of target ozonides can be affected by the application of SnCl4 as a catalyst and varying the solvent. A wide range of bridged 1,2,4-trioxolanes (ozonides) was obtained in yields from 50 to 84%. The ozonide cycle was moderately resistant to the reduction of the ester group near the peroxide cycle to alcohol with LiAlH4. The bridged ozonides were evaluated for their antischistosomal activity. These ozonides exhibited a very high activity against newly transformed schistosomula and adult Schistosoma mansoni.
Diaryl-Pyrano-Chromenes Atropisomers: Stereodynamics and Conformational Studies
Authors: Ciogli Alessia , Fochetti Andrea , Sorato Andrea , Fabrizi Giancarlo , Matera Nunzio , Mazzanti Andrea , Mancinelli Michele
Published: June 2023

The dynamic scenario of di-aryls-pyrano-chromenes was investigated using DFT calculations. The symmetry of the chromene scaffold and the presence of two ortho-substituted aryls substituents can generate two syn/anti diastereoisomers and conformational enantiomers with different rotational barriers. The relative conformations and configurations were derived using NOESY-1D experiments. Depending on the energies related to the conformational exchange, the experimental energy barriers were determined through Dynamic NMR, Dynamic HPLC or kinetic studies. The atropisomeric pairs were resolved in the latter scenario, and their absolute configuration was assigned using the ECD/TD-DFT method.
Metalation of a Hierarchical Self-Assembly Consisting of π-Stacked Cubes through Single-Crystal-to-Single-Crystal Transformation
Authors: Wang Bin , Nan Zi-Ang , Liu Jin , Lu Zi-Xiu , Wang Wei , Zhuo Zhu , Li Guo-Ling , Huang You-Gui
Published: June 2023

Single-crystal-to-single-crystal metalation of organic ligands represents a novel method to prepare metal–organic complexes, but remains challenging. Herein, a hierarchical self-assembly {(H12L8)·([N(C2H5)4]+)3·(ClO4−)15·(H2O)32} (1) (L = tris(2-benzimidazolylmethyl) amine) consisting of π-stacked cubes which are assembled from eight partially protonated L ligands is obtained. By soaking the crystals of compound 1 in the aqueous solution of Co(SCN)2, the ligands coordinate with Co2+ ions stoichiometrically and ClO4− exchange with SCN− via single-crystal-to-single-crystal transformation, leading to {([CoSCNL]+)8·([NC8H20]+)3·(SCN)11·(H2O)13} (2).
Characterization of Antioxidant and Antimicrobial Activity and Phenolic Compound Profile of Extracts from Seeds of Different Vitis Species
Authors: Pozzo Luisa , Grande Teresa , Raffaelli Andrea , Longo Vincenzo , Weidner Stanisław , Amarowicz Ryszard , Karamać Magdalena
Published: June 2023

Seeds of Vitis vinifera L. with a high content of bioactive compounds are valuable by-products from grape processing. However, little is known about the bioactivity of seeds from other Vitis species. The aim of this study has been to compare the phenolic composition, antimicrobial activity, and antioxidant activity of extracts from seeds of four Vitis species (V. riparia Michx., V. californica Benth., V. amurensis Rupr., and V. vinifera L.). Antioxidant activities were assessed as ferric-reducing antioxidant power (FRAP), 2,2-diphenyl-1-picrylhydrazyl radical (DPPH•) scavenging activity, and oxygen radical absorbance capacity (ORAC). The antimicrobial activity was determined using the microdilution method against some Gram-negative (Escherichia coli, Salmonella enterica ser. Typhimurium, and Enterobacter aerogenes) and Gram-positive (Enterococcus faecalis and Staphylococcus aureus) bacteria. Liquid chromatography-tandem mass spectrometry (LC-MS/MS) was used to evaluate the phenolic profile of extracts. Flavan-3-ols, procyanidins, phenolic acids, flavonols, anthocyanins, and stilbenoids were detected. (+)-Catechin and (−)-epicatechin turned out to be the most abundant in the phenolic profile of V. amurensis seed extract. Phenolic acids prevailed in the extract from V. vinifera seeds. The V. riparia and V. californica seed extracts had higher contents of most individual phenolics compared to the other Vitis species. They also showed a higher total phenolic content, DPPH• scavenging activity, ORAC, and overall antibacterial activity. Total phenolic content significantly correlated with antioxidant activity and antimicrobial activity against E. coli. The principal component analysis (PCA) showed discrimination between V. vinifera, V. amurensis, and clustered V. riparia and V. californica with respect to variables. To recapitulate, this research demonstrates that seeds of different Vitis species, especially V. riparia and V. californica, are sources of molecules with antioxidant and antimicrobial activities that can be used in different sectors, such as in the food, cosmetic, and pharmaceutical industries.
Synthesis and Characterization of Nano-Hydroxyapatite Obtained from Eggshell via the Hydrothermal Process and the Precipitation Method
Authors: Wu Shih-Ching , Hsu Hsueh-Chuan , Wang Hsueh-Fang , Liou Shu-Ping , Ho Wen-Fu
Published: June 2023

Hydroxyapatite (HA) is a major component of the inorganic minerals in the hard tissues of humans and has been widely used as a biomedical ceramic material in orthopedic and dentistry applications. Because human bone contains several impurities, including carbonates, chlorides, fluorides, magnesium, and strontium, human bone minerals differ from stoichiometric HA. Additionally, natural bone is composed of nano-sized HA, and the nanoscale particles exhibit a high level of biological activity. In this paper, HA is prepared via the hydrothermal process because its reaction conditions are easy to control and it has been shown to be quite feasible for large-scale production. Therefore, the hydrothermal process is an effective and convenient method for the preparation of HA. Furthermore, eggshell is adopted as a source of calcium, and mulberry leaf extract is selectively added to synthesize HA. The eggshell accounts for 11% of the total weight of a whole egg, and it consists of calcium carbonate, calcium phosphate, magnesium carbonate, and organic matter. Eggshell contains a variety of trace elements, such as magnesium and strontium, making the composition of the synthesized HA similar to that of the human skeleton. These trace elements exert considerable benefits for bone growth. Moreover, the use of eggshell as a raw material can permit the recycling of biowaste and a reduction in process costs. The purpose of this study is to prepare HA powder via the hydrothermal method and to explore the effects of hydrothermal conditions on the structure and properties of the synthesized HA. The room-temperature precipitation method is used for the control group. Furthermore, the results of an immersion test in simulated body fluid confirm that the as-prepared HA exhibits good apatite-forming bioactivity, which is an essential requirement for artificial materials to bond to living bones in the living body and promote bone regeneration. In particular, it is confirmed that the HA synthesized with the addition of the mulberry leaf extract exhibits good in vitro biocompatibility. The morphology, crystallite size, and composition of the carbonated nano-HA obtained herein are similar to those of natural bones. The carbonated nano-HA appears to be an excellent material for bioresorbable bone substitutes or drug delivery. Therefore, the nano-HA powder prepared in this study has great potential in biomedical applications.
Ultrasonic Transformation of Antibiotic Molecules into a Selective Chemotherapeutic Nanodrug
Authors: Zhu Haiyan , Bhangu Sukhvir Kaur , Ashokkumar Muthupandian , Cavalieri Francesca
Published: June 2023

Ultrasound-based engineering of carrier-free nanodrugs by supramolecular self-assembly has recently emerged as an innovative and environmentally friendly synthetic approach. By applying high-frequency sound waves (490 kHz) in aqueous solutions, the transformation of small chemotherapeutic and antibiotic drug molecules into carrier-free nanodrugs with anticancer and antimicrobial activities was recently achieved. The transformation of the antibiotic drug molecules, i.e., doxycycline, into stable nanodrugs (~130 nm) with selective anticancer activity was achieved without requiring organic solvents, chemical agents, or surfactants. The obtained nanodrug exhibited reactive oxygen species (ROS)-mediated cytotoxicity on human breast cancer (MDA-MB 231 cells) but a negligible antiproliferative effect on healthy fibroblast cells. Imaging by super-resolution microscopy (STORM) provided insights into the intracellular trafficking and endosomal escape of the nanodrugs. Overall, these findings suggest that small antibiotic drugs can be transformed into chemotherapeutic nanodrugs with high selectivity against cancer cells.
Comparative Analysis of Polyphenols in Lycium barbarum Fruits Using UPLC-IM-QTOF-MS
Authors: Ju Yanjun , Wang Yujie , Ma Lei , Kang Lu , Liu Hejiang , Ma Xue , Zhao Duoyong
Published: June 2023

Variety, geographical origin, and harvest season are important factors affecting the accumulation of polyphenols in Lycium barbarum. In this study, the effects of these factors on the polyphenolic components of this species were analyzed using ultra-performance liquid chromatography ion mobility quadrupole time-of-flight mass spectrometry. Moreover, the in vitro antioxidant activities of fruit extracts from this species were evaluated. The total polyphenolic contents of L. barbarum fruits from Jinghe County in Xinjiang and Zhongning County in Ningxia were 5.52–11.72 and 7.06–9.37 mg (gallic acid equivalent)/g dry weight, while the total flavonoid contents of L. barbarum fruits from these regions were 12.52–30.29 and 12.67–20.77 mg (rutin equivalent)/g dry weight, respectively. Overall, 39 types of polyphenols were identified in the fruit extracts, including 26 flavonoids, 10 phenolic acids, and three tannins. Of these, 11 polyphenols were quantitatively analyzed, which revealed rutin to be the most dominant polyphenolic component in fruits from Jinghe and Zhongning. There were significant differences (p < 0.05) in the polyphenolic contents and antioxidant activities of L. barbarum fruit extracts, depending on the geographical origin, variety, and harvest season. The antioxidant activity of this species was found to be significantly positively correlated with the polyphenolic contents. This study provided scientific guidance for comprehensive applications of polyphenols from different varieties of L. barbarum from separate geographical origins.
Agglomeration Behavior and Fate of Food-Grade Titanium Dioxide in Human Gastrointestinal Digestion and in the Lysosomal Environment
Authors: Ferraris Francesca , Raggi Andrea , Ponti Jessica , Mehn Dora , Gilliland Douglas , Savini Sara , Iacoponi Francesca , Aureli Federica , Calzolai Luigi , Cubadda Francesco
Published: June 2023

In the present study, we addressed the knowledge gaps regarding the agglomeration behavior and fate of food-grade titanium dioxide (E 171) in human gastrointestinal digestion (GID). After thorough multi-technique physicochemical characterization including TEM, single-particle ICP-MS (spICP-MS), CLS, VSSA determination and ELS, the GI fate of E 171 was studied by applying the in vitro GID approach established for the regulatory risk assessment of nanomaterials in Europe, using a standardized international protocol. GI fate was investigated in fasted conditions, relevant to E 171 use in food supplements and medicines, and in fed conditions, with both a model food and E 171-containing food samples. TiO2 constituent particles were resistant to GI dissolution, and thus, their stability in lysosomal fluid was investigated. The biopersistence of the material in lysosomal fluid highlighted its potential for bioaccumulation. For characterizing the agglomeration degree in the small intestinal phase, spICP-MS represented an ideal analytical tool to overcome the limitations of earlier studies. We demonstrated that, after simulated GID, in the small intestine, E 171 (at concentrations reflecting human exposure) is present with a dispersion degree similar to that obtained when dispersing the material in water by means of high-energy sonication (i.e., ≥70% of particles <250 nm).
Single-Charge Tunneling in Codoped Silicon Nanodevices
Authors: Moraru Daniel , Kaneko Tsutomu , Tamura Yuta , Jupalli Taruna Teja , Singh Rohitkumar Shailendra , Pandy Chitra , Popa Luminita , Iacomi Felicia
Published: June 2023

Silicon (Si) nano-electronics is advancing towards the end of the Moore’s Law, as gate lengths of just a few nanometers have been already reported in state-of-the-art transistors. In the nanostructures that act as channels in transistors or depletion layers in pn diodes, the role of dopants becomes critical, since the transport properties depend on a small number of dopants and/or on their random distribution. Here, we present the possibility of single-charge tunneling in codoped Si nanodevices formed in silicon-on-insulator films, in which both phosphorus (P) donors and boron (B) acceptors are introduced intentionally. For highly doped pn diodes, we report band-to-band tunneling (BTBT) via energy states in the depletion layer. These energy states can be ascribed to quantum dots (QDs) formed by the random distribution of donors and acceptors in such a depletion layer. For nanoscale silicon-on-insulator field-effect transistors (SOI-FETs) doped heavily with P-donors and also counter-doped with B-acceptors, we report current peaks and Coulomb diamonds. These features are ascribed to single-electron tunneling (SET) via QDs in the codoped nanoscale channels. These reports provide new insights for utilizing codoped silicon nanostructures for fundamental applications, in which the interplay between donors and acceptors can enhance the functionalities of the devices.
Stingless Bee (Heterotrigona Itama) Honey and Its Phenolic-Rich Extract Ameliorate Oxidant–Antioxidant Balance via KEAP1-NRF2 Signalling Pathway
Authors: Cheng Mohamad Zulhafiz Shafiq Zulhilmi , Amin Fatin Aina Zulkhairi , Zawawi Norhasnida , Chan Kim Wei , Ismail Norsharina , Ishak Nur Akmal , Esa Norhaizan Mohd
Published: June 2023

Diabetes is associated with an imbalance between oxidants and antioxidants, leading to oxidative stress. This imbalance contributes to the development and progression of diabetic complications. Similarly, renal and liver diseases are characterised by oxidative stress, where an excess of oxidants overwhelms the antioxidant defense mechanisms, causing tissue damage and dysfunction. Restoring the oxidant–antioxidant balance is essential for mitigating oxidative stress-related damage under these conditions. In this current study, the efficacy of stingless bee honey (SBH) and its phenolic-rich extract (PRE) in controlling the oxidant–antioxidant balance in high-fat diet- and streptozotocin/nicotinamide-induced diabetic rats was investigated. The administration of SBH and PRE improved systemic antioxidant defense and oxidative stress-related measures without compromising liver and renal functioning. Analyses of the liver, skeletal muscle and adipose tissues revealed differences in their capacities to scavenge free radicals and halt lipid peroxidation. Transcriptional alterations hypothesised tissue-specific control of KEAP1-NRF2 signalling by upregulation of Nrf2, Ho1 and Sod1 in a tissue-specific manner. In addition, hepatic translational studies demonstrated the stimulation of downstream antioxidant-related protein with upregulated expression of SOD-1 and HOD-1 protein. Overall, the results indicated that PRE and SBH can be exploited to restore the oxidant–antioxidant imbalance generated by diabetes via regulating the KEAP1-NRF2 signalling pathway.
Foundational Nutrition: Implications for Human Health
Authors: Townsend Jeremy R. , Kirby Trevor O. , Marshall Tess M. , Church David D. , Jajtner Adam R. , Esposito Ralph
Published: June 2023

Human nutrition, and what can be considered “ideal” nutrition, is a complex, multi-faceted topic which many researchers and practitioners deliberate. While some attest that basic human nutrition is relatively understood, it is undeniable that a global nutritional problem persists. Many countries struggle with malnutrition or caloric deficits, while others encounter difficulties with caloric overconsumption and micronutrient deficiencies. A multitude of factors contribute to this global problem. Limitations to the current scope of the recommended daily allowances (RDAs) and dietary reference intakes (DRIs), changes in soil quality, and reductions in nutrient density are just a few of these factors. In this article, we propose a new, working approach towards human nutrition designated “Foundational Nutrition”. This nutritional lens combines a whole food approach in conjunction with micronutrients and other nutrients critical for optimal human health with special consideration given to the human gut microbiome and overall gut health. Together, this a synergistic approach which addresses vital components in nutrition that enhances the bioavailability of nutrients and to potentiate a bioactive effect.
Exploring the Impact of Nutrition on Non-Alcoholic Fatty Liver Disease Management: Unveiling the Roles of Various Foods, Food Components, and Compounds
Authors: Kosmalski Marcin , Frankowski Rafał , Deska Kacper , Różycka-Kosmalska Monika , Pietras Tadeusz
Published: June 2023

There is a need to introduce standardized treatment options for non-alcoholic fatty liver disease (NAFLD) due to its global prevalence and the complications of this disease. Many studies have revealed that food-derived substances may be beneficial in dealing with this disease. Therefore, this review aims to evaluate the recently published studies on the food-derived treatment options for NAFLD. A comprehensive search of the PubMed database using keywords such as “NAFLD”, “nutrition”, “food”, “derived”, “therapy”, and “guidelines” yielded 219 relevant papers for our analysis, published from 2004 to 2023. The results show the significant benefits of food-derived treatment in NAFLD therapy, including improvements in liver histology, hepatic fat amounts, anthropometric measures, lipid profile, and other metabolic measures. The availability of the substances discussed makes them a significant adjuvant in the treatment of this disease. The usefulness of Viusid as additional therapy to diet and physical activity should be emphasized due to improvements in liver histology; however, many other substances lead to a decrease in liver fat amounts including, e.g., berberine or omega-3 fatty acids. In addition, the synbiotic Protexin seems to be useful in terms of NAFLD treatment, especially because it is effective in both obese and lean subjects. Based on the latest research results, we suggest revising the therapeutic recommendations for patients suffering from NAFLD.
Family Mealtimes: A Systematic Umbrella Review of Characteristics, Correlates, Outcomes and Interventions
Authors: Snuggs Sarah , Harvey Kate
Published: June 2023

Systematic reviews have examined the multitude of studies investigating family mealtimes and their importance to child/adolescent health and psychosocial outcomes, but the focus of each is limited to specific aspects of family meals (e.g., frequency) and/or specific outcomes (e.g., nutrition). Their findings require synthesis and so a systematic umbrella review was undertaken. Databases were searched to identify systematic reviews (with or without meta-analysis/meta-synthesis) addressing at least one of the following questions: what are the characteristics and/or correlates of family mealtimes; what outcomes are associated with family mealtimes; are interventions aimed at promoting family mealtimes effective? Forty-one eligible reviews were retrieved. Their findings demonstrate that families with children/adolescents typically eat together at least a few days each week. More frequent family meals are predicted by a more positive mealtime environment, more positive attitudes towards family meals, the presence of younger children, and families having more time. Greater family meal frequency protects children/adolescents against a poorer diet, obesity, risk behaviours, poorer mental health and wellbeing, and poorer academic outcomes. Findings from interventions seeking to promote family mealtimes are mixed. This umbrella review provides a comprehensive and integrated understanding of research into family mealtimes, establishing where evidence is sound and where further research is needed.
Parental Folate Deficiency Inhibits Proliferation and Increases Apoptosis of Neural Stem Cells in Rat Offspring: Aggravating Telomere Attrition as a Potential Mechanism
Authors: Ren Qinghan , Zhang Guoquan , Dong Cuixia , Li Zhenshu , Zhou Dezheng , Huang Li , Li Wen , Huang Guowei , Yan Jing
Published: June 2023

The effect of maternal folate status on the fetal central nervous system (CNS) is well recognized, while evidence is emerging that such an association also exists between fathers and offspring. The biological functions of telomeres and telomerase are also related to neural cell proliferation and apoptosis. The study aimed to investigate the effect of parental folate deficiency on the proliferation and apoptosis of neural stem cells (NSCs) in neonatal offspring and the role of telomeres in this effect. In this study, rats were divided into four groups: maternal folate-deficient and paternal folate-deficient diet (D-D) group; maternal folate-deficient and paternal folate-normal diet (D-N) group; maternal folate-normal and paternal folate-deficient diet (N-D) group; and the maternal folate-normal and paternal folate-normal diet (N-N) group. The offspring were sacrificed at postnatal day 0 (PND0), and NSCs were cultured from the hippocampus and striatum tissues of offspring for future assay. The results revealed that parental folate deficiency decreased folate levels, increased homocysteine (Hcy) levels of the offspring’s brain tissue, inhibited proliferation, increased apoptosis, shortened telomere length, and aggravated telomere attrition of offspring NSCs in vivo and in vitro. In vitro experiments further showed that offspring NSCs telomerase activity was inhibited due to parental folate deficiency. In conclusion, parental folate deficiency inhibited the proliferation and increased apoptosis of offspring NSCs, maternal folate deficiency had more adverse effects than paternal, and the mechanisms may involve the telomere attrition of NSCs.
Clinical Manifestation of Cytomegalovirus-Associated Protein-Losing Enteropathy in Children
Authors: Ferrua Claire , Lemoine Anais , Mosca Alexis , Lopes Anne-Aurélie
Published: June 2023

In children, CMV-associated protein-losing enteropathy (PLE) is characterised by a benign course and spontaneous healing but can lead to generalised oedema. Poorly defined, it is diagnosed after unnecessary invasive tests. Children with CMV-associated PLE between 2009 and 2019 in two French hospitals are retrospectively described. Clinical and biological signs, CMV identification, endoscopy and histological findings, disease management and course are analysed. CMV-associated PLE is proven in 21 immunocompetent and 22 immunosuppressed patients, with ages consistent with primo-infection and reactivation, respectively. The digestive symptoms prevail in immunocompetent children, mainly with vomiting (85.7% versus 50%, CI [1.2; 39.2], p = 0.02). Immunocompetent patients show more oedema (61.9% versus 4.5%, CI [3.6; 1502.4], p < 0.001), linked to more severe hypoalbuminemia (21.2 g/L [17.6–25.7] versus 29.6 g/L [24.9–33.9], p = 0.01). A severe course is observed in 23.8% of the immunocompetent patients and 54.5% of the immunosuppressed ones (p = 0.06). Evidence of CMV infection based on non-invasive methods is found on 88.9% of immunocompetent and 95.5% of immunosuppressed patients (p = 0.58), while endoscopy was performed on 95.2% and 100% of them, respectively (p = 0.48), without any therapeutic change. Thus, CMV-associated PLE should be suspected in children with generalised oedema. Not as benign as previously described, it can be confirmed using non-invasive tests.
Plant Sterols and Plant Stanols in Cholesterol Management and Cardiovascular Prevention
Authors: Barkas Fotios , Bathrellou Eirini , Nomikos Tzortzis , Panagiotakos Demosthenes , Liberopoulos Evangelos , Kontogianni Meropi D.
Published: June 2023

Atherosclerotic cardiovascular disease (ASCVD) remains the major mortality cause in developed countries with hypercholesterolaemia being one of the primary modifiable causes. Lifestyle intervention constitutes the first step in cholesterol management and includes dietary modifications along with the use of functional foods and supplements. Functional foods enriched with plant sterols/stanols have become the most widely used nonprescription cholesterol-lowering approach, despite the lack of randomized trials investigating their long-term safety and cardiovascular efficacy. The cholesterol-lowering effect of plant-sterol supplementation is well-established and a potential beneficial impact on other lipoproteins and glucose homeostasis has been described. Nevertheless, experimental and human observational studies investigating the association of phytosterol supplementation or circulating plant sterols with various markers of atherosclerosis and ASCVD events have demonstrated controversial results. Compelling evidence from recent genetic studies have also linked elevated plasma concentrations of circulating plant sterols with ASCVD presence, thus raising concerns about the safety of phytosterol supplementation. Thus, the aim of this review is to provide up-to-date data on the effect of plant sterols/stanols on lipid-modification and cardiovascular outcomes, as well as to discuss any safety issues and practical concerns.
Medicinal Characteristics of Withania somnifera L. in Colorectal Cancer Management
Authors: Macharia John M. , Káposztás Zsolt , Bence Raposa L.
Published: June 2023

Research into tumorigenic pathways can aid in the development of more efficient cancer therapies and provide insight into the physiological regulatory mechanisms employed by rapidly proliferating cancer cells. Due to the severe side effects of cancer chemotherapeutic medications, plant chemicals and their analogues are now explored more frequently for the treatment and prevention of colorectal cancer (CRC), opening the stage for new phytotherapeutic strategies that are considered effective and safe substitutes. Our study aimed to evaluate the medicinal properties of Withania somnifera L. and its safety applications in CRC management. Important databases were rigorously searched for relevant literature, and only 82 full-text publications matched the inclusion requirements from a massive collection of 10,002 titles and abstracts. W. somnifera L. contains a high concentration of active plant-based compounds. The pharmacological activity of the plant from our study has been demonstrated to exert antiproliferation, upregulation of apoptosis, decrease in oxidative stress, downregulation of cyclooxygenase-2 (COX-2), induction of targeted cytotoxic effects on cancerous cells, and exertion of both antiangiogenesis and antimigratory effects. We advise further research before recommending W. somnifera L. for clinical use to identify the optimal concentrations required to elicit beneficial effects in CRC management in humans, singly or in combination.
Indole-Acrylonitrile Derivatives as Potential Antitumor and Antimicrobial Agents—Synthesis, In Vitro and In Silico Studies
Authors: Kornicka Anita , Gzella Karol , Garbacz Katarzyna , Jarosiewicz Małgorzata , Gdaniec Maria , Fedorowicz Joanna , Balewski Łukasz , Kokoszka Jakub , Ordyszewska Anna
Published: June 2023

A series of 2-(1H-indol-2-yl)-3-acrylonitrile derivatives, 2a–x, 3, 4a–b, 5a–d, 6a–b, and 7, were synthesized as potential antitumor and antimicrobial agents. The structures of the prepared compounds were evaluated based on elemental analysis, IR, 1H- and 13NMR, as well as MS spectra. X-ray crystal analysis of the representative 2-(1H-indol-2-yl)-3-acrylonitrile 2l showed that the acrylonitrile double bond was Z-configured. All compounds were screened at the National Cancer Institute (USA) for their activities against a panel of approximately 60 human tumor cell lines and the relationship between structure and in vitro antitumor activity is discussed. Compounds of interest 2l and 5a–d showed significant growth inhibition potency against various tumor cell lines with the mean midpoint GI50 values of all tests in the range of 0.38–7.91 μM. The prominent compound with remarkable activity (GI50 = 0.0244–5.06 μM) and high potency (TGI = 0.0866–0.938 μM) against some cell lines of leukemia (HL-60(TB)), non-small cell lung cancer (NCI-H522), colon cancer (COLO 205), CNS cancer (SF-539, SNB-75), ovarian cancer ((OVCAR-3), renal cancer (A498, RXF 393), and breast cancer (MDA-MB-468) was 3-[4-(dimethylamino)phenyl]-2-(1-methyl-1H-indol-2-yl)acrylonitrile (5c). Moreover, the selected 2-(1H-indol-2-yl)-3-acrylonitriles 2a–c and 2e–x were evaluated for their antibacterial and antifungal activities against Gram-positive and Gram-negative pathogens as well as Candida albicans. Among them, 2-(1H-indol-2-yl)-3-(1H-pyrrol-2-yl)acrylonitrile (2x) showed the most potent antimicrobial activity and therefore it can be considered as a lead structure for further development of antimicrobial agents. Finally, molecular docking studies as well as drug-likeness and ADME profile prediction were carried out.
Alpha-1,4-transglycosylation Activity of GH57 Glycogen Branching Enzymes Is Higher in the Absence of a Flexible Loop with a Conserved Tyrosine Residue
Authors: Bax Hilda Hubertha Maria , van der Maarel Marc Jos Elise Cornelis , Jurak Edita
Published: June 2023

Starch-like polymers can be created through the use of enzymatic modification with glycogen branching enzymes (GBEs). GBEs are categorized in the glycoside hydrolase (GH) family 13 and 57. Both GH13 and GH57 GBEs exhibit branching and hydrolytic activity. While GH13 GBEs are also capable of α-1,4-transglycosylation, it is yet unknown whether GH57 share this capability. Among the four crystal structures of GH57 GBEs that have been solved, a flexible loop with a conserved tyrosine was identified to play a role in the branching activity. However, it remains unclear whether this flexible loop is also involved in α-1,4-transglycosylation activity. We hypothesize that GH57 GBEs with the flexible loop and tyrosine are also capable of α-1,4-transglycosylation, similar to GH13 GBEs. The aim of the present study was to characterize the activity of GH57 GBEs to investigate a possible α-1,4-transglycosylation activity. Three GH57 GBEs were selected, one from Thermococcus kodakarensis with the flexible loop and two beta-strands; one from Thermotoga maritima, missing the flexible loop and beta-strands; and one from Meiothermus sp., missing the flexible loop but with the two beta-strands. The analysis of chain length distribution over time of modified maltooctadecaose, revealed, for the first time, that all three GH57 GBEs can generate chains longer than the substrate itself, showing that α-1,4-transglycosylation activity is generally present in GH57 GBEs.
Efficient and Sustainable Bidentate Amines-Functionalized Resins for Removing Ag+, Cu2+, Pb2+, and Fe3+ from Water
Authors: Villa-Reyna Ana-Laura , Aguilar-Martínez Milagros , Ochoa-Terán Adrián , Santacruz-Ortega Hisila , Leyva-Peralta Mario-Alberto , Vargas-Durazo Judas-Tadeo , Salazar-Gastelum Moisés I. , García-Elías José , Gálvez-Ruiz Juan-Carlos
Published: June 2023

We evaluate the effectiveness of chelating resins (CR) derived from Merrifield resin (MR) and 1,2-phenylenediamine (PDA), 2,2’-dipyridylamine (DPA), and 2-(aminomethyl)pyridine (AMP) as adsorbent dosimeters for Ag+, Cu2+, Fe3+, and Pb2+ cations from water under competitive and noncompetitive conditions. MR-PDA, MR-DPA, and MR-AMP were obtained in a 95–97% yield and characterized by IR, fluorescence, and SEM. The ability of CRs as adsorbents was determined by batch and flow procedures. MR-PDA showed a batch adsorption capacity order of Fe3+ (29.8 mg/g) > Ag+ (2.7 mg/g) > Pb2+ (2.6 mg/g) at pH 3.4. The flow adsorption showed affinity towards the Ag+ cation at pH 7 (18.4 mg/g) and a reusability of 10 cycles. In MR-DPA, the batch adsorption capacity order was Ag+ (9.1 mg/g) > Pb2+ (8.2 mg/g) > Cu2+ (3.5 mg/g) at pH 5. The flow adsorption showed affinity to the Cu2+ cation at pH 5 (2.2 mg/g) and a reuse of five cycles. In MR-AMP, the batch adsorption capacity was Ag+ (17.1 mg/g) at pH 3.4. The flow adsorption showed affinity to the Fe3+ cation at pH 2 (4.3 mg/g) and a reuse of three cycles. The three synthesized and reusable CRs have potential as adsorbents for Ag+, Cu2+, Fe3+, and Pb2+ cations and showed versatility in metal removal for water treatment.
Improving Mechanical and Barrier Properties of Antibacterial Poly(Phenylene Sulfide) Nanocomposites Reinforced with Nano Zinc Oxide-Decorated Graphene
Authors: Tsou Chi-Hui , Du Jian-Hua , Yao Wei-Hua , Fu Lei , Wu Chin-San , Huang Yuxia , Qu Chang-Lei , Liao Bin
Published: June 2023

Nano zinc oxide-decorated graphene (G-ZnO) was blended with polyphenylene sulfide (PPS) to improve its tensile, thermal, crystalline, and barrier properties. The properties of neat PPS and PPS/G-ZnO nanocomposites were characterized and compared using various tests, including tensile tests, scanning electron microscopy, X-ray diffraction, differential scanning calorimetry, thermogravimetric analysis, evaluation of Escherichia coli inhibition, and barrier performance. The results demonstrated that G-ZnO played a crucial role in heterogeneous nucleation and reinforcement. When the concentration of G-ZnO was 0.3%, the tensile strength, elongation at break, thermostability, crystallinity, and water vapor permeability coefficients (WVPC) approached their maximum values, and the microscopic morphology changed from the original brittle fracture to a relatively tough fracture. In addition, when G-ZnO was added to PPS at a ratio of 0.3%, the tensile strength, elongation at break, and WVPC of PPS were increased by 129%, 150%, and 283%, respectively, compared to pure PPS. G-ZnO endowed the nanocomposites with antibacterial properties. The improvement in barrier performance can be attributed to three reasons: (1) the presence of G-ZnO extended the penetration path of molecules; (2) the coordination and hydrogen bonds between PPS polymer matrix and G-ZnO nanofiller narrowed the H2O transmission path; and (3) due to its more hydrophobic surface, water molecules were less likely to enter the interior of PPS/G-ZnO nanocomposites. This study provides valuable insights for developing high-performance PPS-based nanocomposites for various applications.
A Review on Biopolymer-Based Biodegradable Film for Food Packaging: Trends over the Last Decade and Future Research
Authors: Dirpan Andi , Ainani Andi Fadiah , Djalal Muspirah
Published: June 2023

In recent years, much attention has been paid to the use of biopolymers as food packaging materials due to their important characteristics and properties. These include non-toxicity, ease of availability, biocompatibility, and biodegradability, indicating their potential as an alternative to conventional plastic packaging that has long been under environmental scrutiny. Given the current focus on sustainable development, it is imperative to develop studies on biopolymers as eco-friendly and sustainable food packaging materials. Therefore, the aim of this review is to explore trends and characteristics of biopolymer-based biodegradable films for food packaging, analyze the contribution of various journals and cooperation between countries, highlight the most influential authors and articles, and provide an overview of the social, environmental, and economic aspects of biodegradable films for food packaging. To achieve this goal, a bibliometric analysis and systematic review based on the PRISMA method were conducted. Relevant articles were carefully selected from the Scopus database. A bibliometric analysis was also conducted to discuss holistically, comprehensively, and objectively biodegradable films for food packaging. An increasing interest was found in this study, especially in the last 3 years with Brazil and China leading the number of papers on biodegradable films for food packaging, which were responsible for 20.4% and 12.5% of the published papers, respectively. The results of the keyword analysis based on the period revealed that the addition of bioactive compounds into packaging films is very promising because it can increase the quality and safety of packaged food. These results reveal that biodegradable films demonstrate a positive and promising trend as food packaging materials that are environmentally friendly and promote sustainability.
Multi-Walled Carbon-Nanotube-Reinforced PMMA Nanocomposites: An Experimental Study of Their Friction and Wear Properties
Authors: Patel Vijay , Joshi Unnati , Joshi Anand , Matanda Blessing Kudzai , Chauhan Kamlesh , Oza Ankit D. , Burduhos-Nergis Diana-Petronela , Burduhos-Nergis Dumitru-Doru
Published: June 2023

This manuscript presents an experimental investigation of the friction and wear properties of poly (methyl methacrylate) (PMMA) nanocomposites reinforced with functionalized multi-walled carbon nanotubes (MWCNTs). The aim of this study is to evaluate the potential of MWCNTs as a reinforcement material for enhancing the tribological performance of PMMA. Three types of multi-walled carbon nanotubes, i.e., pristine, hydroxyl functionalized, and carboxyl functionalized, were utilized in this study. The nanocomposite samples were prepared by dispersing varying concentrations of MWCNTs (0.1 wt.%, 0.5 wt.%, and 1 wt.%) within the PMMA matrix via a 3D mixing approach, followed by injection molding/compression molding. The resulting nanocomposite films were characterized using scanning electron microscopy (SEM) to observe the dispersion of MWCNTs within the PMMA matrix. The friction and wear tests were conducted using a pin-on-disk tribometer under dry sliding conditions. The effects of functionalization and MWCNT content on the tribological behaviors of the nanocomposites were analyzed. The nanocomposites exhibited lower friction coefficients and reduced wear rates compared to pure PMMA. The lowest friction coefficient and wear rate were achieved at an optimum MWCNT loading of 0.5 wt.%. It was further revealed that the amount of MWCNT reinforcement, average load, and track diameter significantly affect the coefficient of friction (COF) and rate of wear. The COF and wear rate are best at a filler loading of 0.5 wt.%, a 20 Kg load, and 90 mm. The improved tribological performance of the MWCNT-reinforced PMMA nanocomposites can be attributed to the effective transfer of load between the MWCNTs and the PMMA matrix, as well as the reinforcement effect of the MWCNTs. The MWCNTs acted as reinforcing agents, enhancing the mechanical properties and wear resistance of the nanocomposites.
Nanocomposites with Optimized Polytetrafluoroethylene Content as a Reinforcement Agent in PA12 and PLA for Material Extrusion Additive Manufacturing
Authors: Vidakis Nectarios , Petousis Markos , Moutsopoulou Amalia , Papadakis Vassilis , Spiridaki Mariza , Mountakis Nikolaos , Charou Chrysa , Tsikritzis Dimitris , Maravelakis Emmanuel
Published: June 2023

Herein, polytetrafluoroethylene (PTFE) is evaluated as a reinforcement agent in material extrusion (MEX) additive manufacturing (AM), aiming to develop nanocomposites with enhanced mechanical performance. Loadings up to 4.0 wt.% were introduced as fillers of polylactic acid (PLA) and polyamide 12 (PA12) matrices. Filaments for MEX AM were prepared to produce corresponding 3D-printed samples. For the thorough characterization of the nanocomposites, a series of standardized mechanical tests were followed, along with AFM, TGA, Raman spectroscopy, EDS, and SEM analyses. The results showed an improved mechanical response for filler concentrations between 2.0 and 3.0 wt.%. The enhancement for the PLA/PTFE 2.0 wt.% in the tensile strength reached 21.1% and the modulus of elasticity 25.5%; for the PA12/PTFE 3.0 wt.%, 34.1%, and 41.7%, respectively. For PLA/PTFE 2.0 wt.%, the enhancement in the flexural strength reached 57.6% and the modulus of elasticity 25.5%; for the PA12/PTFE 3.0 wt.%, 14.7%, and 17.2%, respectively. This research enables the ability to deploy PTFE as a reinforcement agent in the PA12 and PLA thermoplastic engineering polymers in the MEX AM process, expanding the potential applications.
Effects of the Solvent Vapor Exposure on the Optical Properties and Photocatalytic Behavior of Cellulose Acetate/Perylene Free-Standing Films
Authors: Coderch Gustavo , Cordoba Alexander , Ramírez Oscar , Bonardd Sebastian , Leiva Angel , Häring Marleen , Díaz Díaz David , Saldias Cesar
Published: June 2023

The search to deliver added value to industrialized biobased materials, such as cellulose derivatives, is a relevant aspect in the scientific, technological and innovation fields at present. To address these aspects, films of cellulose acetate (CA) and a perylene derivative (Pr) were fabricated using a solution-casting method with two different compositions. Consequently, these samples were exposed to dimethylformamide (DMF) solvent vapors so that its influence on the optical, wettability, and topographical properties of the films could be examined. The results demonstrated that solvent vapor could induce the apparent total or partial preferential orientation/migration of Pr toward the polymer–air interface. In addition, photocatalytic activities of the non-exposed and DMF vapor-exposed films against the degradation of methylene blue (MB) in an aqueous medium using light-emitting diode visible light irradiation were comparatively investigated. Apparently, the observed improvement in the performance of these materials in the MB photodegradation process is closely linked to the treatment with solvent vapor. Results from this study have allowed us to propose the fabrication and use of the improved photoactivity “all-organic” materials for potential applications in dye photodegradation in aqueous media.
Children’s and Adults’ Perceptions of Religious and Secular Interventions for Incarcerated Individuals in the United States
Authors: Cohen Aaron , Dunlea James P. , Solomon Larisa Heiphetz
Published: June 2023

Religious involvement is prevalent in prisons, a context where questions of moral redemption are particularly salient. We probed the developmental origins of adults’ perceptions that religion might lead to redemption following transgressions. Six- to eight-year-olds (n = 50 United States residents) and adults (n = 53 United States residents) learned about incarcerated characters who had taken religion classes, art classes, or life classes (about right and wrong) while imprisoned. They then rated their agreement with statements assessing attitudes toward the incarcerated individuals, the effectiveness of each character’s time in prison, and their likelihood of recidivism. Children were more likely than adults to report that classes, in general, would effectively rehabilitate incarcerated individuals. However, participants of all ages reported more positive attitudes toward people who took religion classes and life classes rather than art classes. Further, participants of all ages reported that people who took art classes, versus religion or life classes, would be more likely to continue transgressing. These findings highlight the important role that religious and secular learning plays in perceptions of redemption across development.
Active Tectonics Assessment Using Geomorphic and Drainage Indices in the Sertengshan, Hetao Basin, China
Authors: Shen Kainan , Dong Shaopeng , Wang Yizhou
Published: June 2023

Geomorphic parameters, which reflect the migration of drainage divide responses, are widely used to assess tectonic activity. There have been several large earthquakes in the history of the Hetao Basin, within which the Sertengshan Piedmont Fault is important. This study highlights certain references for regional seismic risk assessment. Few studies have been conducted on the Sertengshan area from the perspective of geomorphic parameters. In this paper, ksn, HI, and Vf were obtained to indicate the tectonic activity in the Sertengshan area, and χ and Gilbert metrics were extracted to explore the state of the drainage basin. The results show that the tectonic activity varies spatially and is strong in the western part of the southern Sertengshan region and the northern part corresponding to the turning point of the fault. Most of the Sertengshan area is in the prime and old stages of geomorphological evolution, whereas some areas are in the juvenile stage. The old stage was mainly concentrated in the northern region, and the southern part was younger than the northern region. Overall, the Sertengshan area is tectonically active and affected by the activity of the Sertengshan Piedmont Fault. The western part of the divide migrated northwest, while the central and eastern parts tended to move southward. We suggest that the divide migration is influenced by tectonic activity and tends to move towards the direction of lower tectonic activity.
About the Assessment of Cover Crop Albedo Potential Cooling Effect: Risk of the Darkening Feedback Loop Effects
Authors: Pique Gaétan , Carrer Dominique , Lugato Emanuele , Fieuzal Rémy , Garisoain Raphaël , Ceschia Eric
Published: June 2023

Today societies face an unprecedented challenge to limit global warming and restore agricultural soils. Recent studies show that the introduction of cover crops over Europe could result in a cooling impact due to an increase in soil organic carbon stocks, a decrease in the use of fertilizers, and an increase in surface albedo of the croplands. Based on the use of remote sensing data, land cover database, meteorological data, national agricultural statistics, and ground measurements, a generic model was developed to simulate the radiative forcing following the change in surface albedo. This article analyzes the impact of the introduction of cover crops in Europe during the fallow periods. Compared to previous studies, this work discusses: (i) The maximum greening potential in Europe and the associated indirect surface properties changes (ii) for snowfall episodes, and (iii) due to an increase in organic matter. This study shows that the mitigation potential of cover crops through albedo effects could reach 6.74 MtCO2-eq.yr−1 by extending the periods of the introduction of the cover crops to all possible fallow periods. This mitigation could be limited to 5.68 MtCO2-eq.yr−1 if the impact of snowfalls is considered. This would be equivalent to 9.12 gCO2.m−2.yr−1. Finally, this study investigates the feedback loop due to soil darkening with soil organic carbon content increase when cover crops are introduced, considering two scenarios. The first considers the soil organic carbon content increase following repeated incorporation of cover crop biomass into the soil, simulated with the DayCent model. The second, more conceptual and extreme scenario aims at alerting on the possible impact of a combination of carbon farming practices, such as biochar or organic amendments. Our results show that this effect could lead to a loss of 20% of the climate benefit (i.e., 5.39 MtCO2-eq.yr−1). In conclusion, this study shows that cover crops have a strong potential for climate mitigation through direct albedo effects (soil coverage). However, once introduced, cropland should be permanently covered by vegetation or straws in order to avoid this darkening feedback loop effect.