bluuebunny/crossref_metadata_2025 huggingface dataset:
High-Temperature Corrosion of Flame-Sprayed Power Boiler Components with Nickel Alloy Powders
Authors: Czupryński Artur , Adamiec Janusz , Adamiak Marcin , Żuk Marcin , Kříž Antonin , Mele Claudio , Kciuk Monika
Published: February 2023

The development trends in the energy sector clearly indicate an increase in the share of biomass and alternative fuels fed for combustion in power boilers, which results in the imposition of many unfavourable factors and a demanding working environment. During the operation of the energy system, this means a sharp increase in corrosion of the gas-tight pipe walls and coils by the destructive action of chlorine and sulphur. Implementing advanced surface protection in addition to the selection of materials of better quality and resistance to difficult working conditions would significantly reduce their wear by high temperature corrosion. Thermally sprayed coatings offer a great opportunity to protect machine components and energy systems against corrosion, erosion, impact load and abrasive wear. This article presents the test results of high-temperature corrosion resistance of coatings made with Ni-Cr-B-Si and Ni-B-Si alloy powders on a boiler steel substrate. Samples with sprayed coatings were exposed to an atmosphere with a composition of N2 + 9% O2 + 0.08% SO2 + 0.15% HCl at 800 °C for 250, 500, 750 and 1000 h. Tests results of coatings made of Ni-Cr-B-Si alloys subjected to the influence of a corrosive environment showed the formation of a layer of scale on the surface, composed mainly of Cr2O3 oxide, which was a passive layer, reducing the rate of corrosion. Coatings sprayed with Ni-B-Si alloys showed significantly lower corrosion resistance. It was found that the developed technology of subsonic flame spraying with powders of the Ni-Cr-B-Si type allows the production of coatings compliant with the requirements of the energy industry, which allows their use as anti-corrosion protection on boiler elements intended for waste disposal and biomass combustion.
Immunopotentiating Activity of Fucoidans and Relevance to Cancer Immunotherapy
Authors: Li Yani , McGowan Eileen , Chen Size , Santos Jerran , Yin Haibin , Lin Yiguang
Published: February 2023

Fucoidans, discovered in 1913, are fucose-rich sulfated polysaccharides extracted mainly from brown seaweed. These versatile and nontoxic marine-origin heteropolysaccharides have a wide range of favorable biological activities, including antitumor, immunomodulatory, antiviral, antithrombotic, anticoagulant, antithrombotic, antioxidant, and lipid-lowering activities. In the early 1980s, fucoidans were first recognized for their role in supporting the immune response and later, in the 1990s, their effects on immune potentiation began to emerge. In recent years, the understanding of the immunomodulatory effects of fucoidan has expanded significantly. The ability of fucoidan(s) to activate CTL-mediated cytotoxicity against cancer cells, strong antitumor property, and robust safety profile make fucoidans desirable for effective cancer immunotherapy. This review focusses on current progress and understanding of the immunopotentiation activity of various fucoidans, emphasizing their relevance to cancer immunotherapy. Here, we will discuss the action of fucoidans in different immune cells and review how fucoidans can be used as adjuvants in conjunction with immunotherapeutic products to improve cancer treatment and clinical outcome. Some key rationales for the possible combination of fucoidans with immunotherapy will be discussed. An update is provided on human clinical studies and available registered cancer clinical trials using fucoidans while highlighting future prospects and challenges.
The Role of Patient Position in the Surgical Treatment of Supracondylar Fractures of the Humerus: Comparison of Prone and Supine Position
Authors: Sapienza Marco , Testa Gianluca , Vescio Andrea , Panvini Flora Maria Chiara , Caldaci Alessia , Parisi Stefania Claudia , Pavone Vito , Canavese Federico
Published: February 2023

Background and Objectives: Supracondylar fractures of the humerus (SCHF) make up about one-third of pediatric fractures and are the most common elbow fractures in children. Reduction and fixation of SC fractures can be performed with the patient in the prone or supine position. However, the role of the patient’s position during surgery is still unclear. The purpose of this systematic review is to evaluate, based on data from the literature, the role of patient position during closed reduction and fixation of pediatric SCHFs. Materials and Methods: A systematic review of the current literature from 1951 to 2021 was conducted according to PRISMA guidelines. Articles were identified from 6 public databases. Articles were screened and abstracted by two investigators and the quality of included publications (n = 14) was assessed (MINORS criteria). Statistical analyses were performed using R studio 4.1.2. Results: The systematic literature review identified 114 articles, from which, according to inclusion and exclusion criteria, 14 studies were identified. A total of 741 children were treated in the prone position and 538 in the supine position. The results of the systematic review showed that there were no statistical differences between the two positions with regard to clinical, radiographic, and complication outcomes. Conclusions:: The functional and radiographic outcome of displaced SCHFs is generally excellent regardless of the position, prone or supine, in which the patient is positioned for surgery. The choice of how to position the patient depends on the habit and experience of the surgeon and anesthesiologist performing the surgery.
AKI3-Risk Predictors and Scores in Radical Nephrectomy with High Thrombectomy under Extracorporeal Circulation for Renal Cell Carcinoma with Supradiaphragmatic Inferior Vena Cava/Right Atrial Thrombus: A Single-Centre Retrospective Study
Authors: Drăgan Anca , Sinescu Ioanel
Published: February 2023

Background and Objectives: The recommended therapeutic management in renal cell carcinoma (RCC) with supradiaphragmatic inferior vena cava/right atrial thrombus (IVC/RA) is surgery. Extracorporeal circulation is required. Acute kidney injury (AKI), a frequent complication after nephrectomy and cardiac surgery is associated with long-term kidney disease. This study aims to identify the risk factors involved in the occurrence of the severe postoperative AKI (AKI3) and to analyse various preoperative validated risk scores from cardiac and noncardiac surgery in predicting this endpoint. Materials and Methods: The medical data of all patients with RCC with supradiaphragmatic IVC/RA thrombus who underwent radical nephrectomy with high thrombectomy, using extracorporeal circulation, between 2004–2018 in the Prof. C. C. Iliescu Emergency Institute for Cardiovascular Diseases, Bucharest, were retrospectively analysed. The patients who died intraoperatively were excluded from the study. The predefined study endpoint was the postoperative AKI3. Preoperative, intraoperative and postoperative data were collected according to the stratification of study population in two subgroups: AKI3-present and AKI3- absent patients. EuroSCORE, EuroSCORE II, Logistic EuroSCORE, NSQIP any-complications and NSQIP serious-complications were analysed. Results: We reviewed 30 patients who underwent this complex surgery between 2004–2018 in our institute. Two patients died intraoperatively. Nine patients (32.14%) presented postoperative AKI3. Age (OR 1.151, CI 95%: 1.009–1.312), preoperative creatinine clearance (OR 1.066, CI 95%: 1.010–1.123) and intraoperative arterial hypotension (OR 13.125, CI 95%: 1.924–89.515) were risk factors for AKI3 (univariable analysis). Intraoperative arterial hypotension emerged as the only independent risk factor in multivariable analysis (OR 11.66, CI 95%: 1.400–97.190). Logistic EuroSCORE (ROC analysis: AUC = 0.813, p = 0.008, CI 95%: 0.633–0.993) best predicted the endpoint. Conclusions: An integrated team effort is essential to avoid intraoperative arterial hypotension, the only independent risk factor of AKI3 in this highly complex surgery. Some risk scores can predict this complication. Further studies are needed.
Effects of Specimen Thickness and Non-Isothermal Process on Creep Behavior of AA2024 Aluminum Alloy
Authors: Wu Xintong , Zhan Lihua , Yang Youliang , Xu Yongqian , Zhang Qiliang , Yang Xiaobo
Published: February 2023

Fiber metal laminate (FML) is a kind of lightweight material that has garnered much attention in recent years due to its excellent properties under tensile, flexure, and impact conditions. However, little attention has been paid to the evolution of aluminum alloy during the FML forming process. In this paper, the effects of specimen thickness and the non-isothermal process on creep behavior of AA2024 aluminum alloy, which is generally used in FMLs, were systematically studied in terms of creep strain, mechanical properties, and microstructure. The results show that the microstructure and mechanical properties of the aluminum alloy layer are greatly affected by the creep age during the FML forming process, but the specimen thickness has little effect on the creep behavior under experimental conditions. During the non-isothermal process, the creep strain generated during the heating stage is about 40% of total strain. Compared with the isothermal process, the creep strain of the non-isothermal process increases by 20–40%, and the apparent activation energy Qc is larger. According to the creep behavior of AA2024 aluminum alloy during the non-isothermal process, a creep constitutive model was established to accurately simulate the deformation of FMLs.
Sensitivity Intensified Ninhydrin-Based Chromogenic System by Ethanol-Ethyl Acetate: Application to Relative Quantitation of GABA
Authors: Li Haixing , Wang Lingqin , Nie Lijuan , Liu Xiaohua , Fu Jinheng
Published: February 2023

Gamma-aminobutyric acid (GABA) is a functional metabolite in various organisms. Herein, a sensitivity intensified ninhydrin-based chromogenic system (SINICS), achieved by ethanol and ethyl acetate, is described for the reliable relative quantitation of GABA. A 2.9 mL SINICS kit comprises 1% ninhydrin, 40% ethanol, 25% ethyl acetate, and 35 μL 0.2 M sodium acetate buffer (pH 5.0). In practice, following the addition of a 0.1 mL sample to the kit, the chromogenic reaction is completed by heating at 70 °C for 30 min. The kit increased the color development sensitivity of L-glutamic acid and GABA, with the detection limits being reduced from 20 mM and 200 mM to 5 mM and 20 mM, respectively. The chromophore was stable for at least 2 h at room temperature, which was sufficient for a routine colorimetric analysis. The absorbance at 570 nm with the deduction of background directly represents the content of amino acid. For a proof-of-concept, the SINICS was adopted to optimize the GABA fermentation process of Levilactobacillus brevis CD0817. The results demonstrated that SINICS is an attractive alternative to the available ninhydrin-based colorimetric methods.
Effects of APOE Genotype and Western Diet on Metabolic Phenotypes in Female Mice
Authors: Christensen Amy , Pike Christian J.
Published: February 2023

Western diets high in sugars and saturated fats have been reported to induce metabolic and inflammatory impairments that are associated with several age-related disorders, including Alzheimer’s disease (AD) and type 2 diabetes (T2D). The apolipoprotein E (APOE) genotype is associated with metabolic and inflammatory outcomes that contribute to risks for AD and T2D, with the APOE4 genotype increasing risks relative to the more common APOE3 allele. In this study, we investigated the impacts of the APOE genotype on systemic and neural effects of the Western diet. Female mice with knock-in of human APOE3 or APOE4 were exposed to control or Western diet for 13 weeks. In the control diet, we observed that APOE4 mice presented with impaired metabolic phenotypes, exhibiting greater adiposity, higher plasma leptin and insulin levels, and poorer glucose clearance than APOE3 mice. Behaviorally, APOE4 mice exhibited worse performance in a hippocampal-dependent learning task. In visceral adipose tissue, APOE4 mice exhibited generally higher expression levels of macrophage- and inflammation-related genes. The cerebral cortex showed a similar pattern, with higher expression of macrophage- and inflammation-related genes in APOE4 than APOE3 mice. Exposure to the Western diet yielded modest, statistically non-significant effects on most metabolic, behavioral, and gene expression measures in both APOE genotypes. Interestingly, the Western diet resulted in reduced gene expression of a few macrophage markers, specifically in APOE4 mice. The observed relative resistance to the Western diet suggests protective roles of both female sex and young adult age. Further, the data demonstrate that APOE4 is associated with deleterious systemic and neural phenotypes and an altered response to a metabolic stressor, findings relevant to the understanding of interactions between the APOE genotype and risks for metabolic disorders.
Widely Targeted Metabolomics Reveals Metabolite Diversity in Jalapeño and Serrano Chile Peppers (Capsicum annuum L.)
Authors: Lozada Dennis N. , Pulicherla Sahithi Reddy , Holguin Francisco Omar
Published: February 2023

Chile peppers (Capsicum annuum L.) are good sources of vitamins and minerals that can be included in the diet to mitigate nutritional deficiencies. Metabolomics examines the metabolites involved in biological pathways to understand the genes related to complex phenotypes such as the nutritional quality traits. The current study surveys the different metabolites present in jalapeño (‘NuMex Pumpkin Spice’) and serrano (‘NuMex LotaLutein’) type chile peppers grown in New Mexico using a widely targeted metabolomics approach, with the ‘NuMex LotaLutein’ as control. A total of 1088 different metabolites were detected, where 345 metabolites were differentially expressed; 203 (59%) were downregulated and 142 (41%) were upregulated (i.e., relative metabolite content is higher in ‘NuMex Pumpkin Spice’). The upregulated metabolites comprised mostly of phenolic acids (42), flavonoids (22), and organic acids (13). Analyses of principal component (PC) and orthogonal partial least squares demonstrated clustering based on cultivars, where at least 60% of variation was attributed to the first two PCs. Pathway annotation identified 89 metabolites which are involved in metabolic pathways and the biosynthesis of secondary metabolites. Altogether, metabolomics provided insights into the different metabolites present which can be targeted for breeding and selection towards the improvement of nutritional quality traits in Capsicum.
The Challenges of Micro-Nowcasting and the Women’s Slope Style Event at the PyeongChang 2018 Olympic Winter Games
Authors: Joe Paul , Lee GyuWon , Kim Kwonil
Published: February 2023

The Women’s Slope Style event of 11–12 February 2018 at the PyeongChang 2018 Olympic Winter Games posed considerable challenges to the competitors and decision-makers, requiring sub-kilometer and sub-minute weather predictions in complex terrain. The gusty wind conditions were unfair and unsafe as the competitors could not achieve sufficient speed to initiate or complete their jumps. The term micro-nowcasting is used here to reflect the extreme high-resolution nature of these science and service requirements. The World Meteorological Organization has conducted several research development and forecast demonstration projects to advance, accelerate and promote the art of nowcasting. Data from compact automatic weather stations, located along the field of play, reported every minute and were post-processed using time series, Hovmöller and wavelet transforms to succinctly present the information. The analyses revealed dominant frequencies of about 20 min, presumed to be associated with vortex shedding from the mountain ridges, but were unable to directly capture the gusts that affected the competitors. The systemic challenges from this and previous projects are reviewed. They include the lack of adequate scientific knowledge of microscale processes, gaps in modeling, the need for post-processing, forecast techniques, managing ever-changing service requirements and highlights the role of observations and the critical role of the forecaster. These challenges also apply to future high-resolution operational weather and warning services.
Geochemical Characteristics of Critical Metal Elements in the No. 9 Coal Seam from the Xinyuan Mine, Northern Qinshui Coalfield, Shanxi Province, China
Authors: Li Jian , Zhang Shaowei , Wang Hongdong , Xie Xichao
Published: February 2023

As one of the main fossil fuels globally, coal can be enriched with a variety of critical metal elements in specific geological conditions. This paper investigates the mineral compositions and concentrations of major and minor element oxides and trace elements in the No. 9 coal from the Xinyuan mine of the northern Qinshui coalfield, China, and discusses the modes of occurrence and enrichment mechanisms of critical metal elements such as Li, Ga, Th and REY. The mineral compositions of the No. 9 coal are primarily represented by clay minerals and quartz, with a small amount of calcite, siderite, anatase, etc. The major element oxides in the No. 9 coal are dominated by SiO2 and Al2O3. Compared with world hard coal, the No. 9 coal of the Xinyuan mine is rich in Li (CC = 8.00) and Th, slightly enriched with Pb, Sc, Ga, Y, La, Ce, Tb, Dy, Er, Yb and Hg, and depleted in Mn, Co, Ni, Rb, Cs and Tl. The critical metal elements such as Li, Ga, Th and REY that enriched No. 9 coal mainly occur in aluminum silicates. The genetic type of the critical metal elements in the No. 9 coal from the Xinyuan mine is source rock-controlled type. The critical metal minerals and solutions from the source area were transported to the study area by the action of water. Due to the change of swamp water conditions, the critical metal elements were combined with clay minerals and enriched the coal.
Standardization of the Optimum Effects of Indole 3-Butyric Acid (IBA) to Control Root Knot Nematode, Meloidogyne enterolobii, in Guava (Psidium guajava L.)
Authors: Natarajan Ashokkumar , Selvam Dharani , Palaniappan Kalaiarasan , Subbaiah Balamurali Akshaya , Perumal Chandrasekaran , Durai Rameshkumar , Sadasivam Shakila , Asokan Akino , Sivalingam Ramadass , Subiramaniyan Ashok
Published: February 2023

Guava is an important revenue generating crop for small, medium, and commercial guava cultivators all over the world. Nematode infestation is one of the factors that cause declines in fruit production. Researches have proven that the application of plant growth regulators induces the synthesis of defense-related proteins in Guava. IBA is one such plant growth regulator, and its effects on guava plants has not yet been elucidated. Thus, this research is focused on the optimization of IBA concentrations, which results in the induction and production of maximum defense-related proteins to defend against root knot nematode. The present study includes the application of IBA on M. enterolobii-infested experimental guava plants at different concentrations ranging from 100 ppm to 2000 ppm. The synthesis of defense-related proteins is identified with 1000 ppm of IBA. At this concentration, IBA influences the morphological, physiological, and biochemical characteristics and enhances the induction of defense-related proteins in M. enterolobii-infested experimental guava plants. Thus, 1000 ppm of IBA prevents nematode infestation in Lucknow-49 guava plants.
Reliable N-Glycan Analysis–Removal of Frequently Occurring Oligosaccharide Impurities by Enzymatic Degradation
Authors: Burock Robert , Cajic Samanta , Hennig René , Buettner Falk F. R. , Reichl Udo , Rapp Erdmann
Published: February 2023

Glycosylation, especially N-glycosylation, is one of the most common protein modifications, with immense importance at the molecular, cellular, and organismal level. Thus, accurate and reliable N-glycan analysis is essential in many areas of pharmaceutical and food industry, medicine, and science. However, due to the complexity of the cellular glycosylation process, in-depth glycoanalysis is still a highly challenging endeavor. Contamination of samples with oligosaccharide impurities (OSIs), typically linear glucose homo-oligomers, can cause further complications. Due to their physicochemical similarity to N-glycans, OSIs produce potentially overlapping signals, which can remain unnoticed. If recognized, suspected OSI signals are usually excluded in data evaluation. However, in both cases, interpretation of results can be impaired. Alternatively, sample preparation can be repeated to include an OSI removal step from samples. However, this significantly increases sample amount, time, and effort necessary. To overcome these issues, we investigated the option to enzymatically degrade and thereby remove interfering OSIs as a final sample preparation step. Therefore, we screened ten commercially available enzymes concerning their potential to efficiently degrade maltodextrins and dextrans as most frequently found OSIs. Of these enzymes, only dextranase from Chaetomium erraticum and glucoamylase P from Hormoconis resinae enabled a degradation of OSIs within only 30 min that is free of side reactions with N-glycans. Finally, we applied the straightforward enzymatic degradation of OSIs to N-glycan samples derived from different standard glycoproteins and various stem cell lysates.
Effects of Long-Term Intervention with Losartan, Aspirin and Atorvastatin on Vascular Remodeling in Juvenile Spontaneously Hypertensive Rats
Authors: Liu Qi , Dong Shuai , Zhou Xue , Zhao Yubo , Dong Bin , Shen Jing , Yang Kang , Li Linsen , Zhu Dan
Published: February 2023

Hypertension in adolescents is associated with adverse cardiac and vascular events. In addition to lowering blood pressure, it is not clear whether pharmacological therapy in early life can improve vascular remodeling. This study aimed to evaluate the effects of long-term administration of losartan, aspirin, and atorvastatin on vascular remodeling in juvenile spontaneously hypertensive rats (SHRs). Losartan, aspirin, and atorvastatin were administered via gavage at doses of 20, 10, and 10 mg/kg/day, respectively, on SHRs aged 6–22 weeks. Paraffin sections of the blood vessels were stained with hematoxylin-eosin (H&E) and Sirius Red to evaluate the changes in the vascular structure and the accumulation of different types of collagen. The plasma levels of renin, angiotensin II (Ang II), aldosterone (ALD), endothelin-1 (ET-1), interleukin-6 (IL-6), and neutrophil elastase (NE) were determined using ELISA kits. After the 16-week treatment with losartan, aspirin, and atorvastatin, the wall thickness of the thoracic aorta and carotid artery decreased. The integrity of the elastic fibers in the tunica media was maintained in an orderly manner, and collagen deposition in the adventitia was retarded. The plasma levels of renin, ALD, ET-1, IL-6, and NE in the SHRs also decreased. These findings suggest that losartan, aspirin, and atorvastatin could improve vascular remodeling beyond their antihypertensive, anti-inflammatory, and lipid-lowering effects. Many aspects of the protection provided by pharmacological therapy are important for the prevention of cardiovascular diseases in adults and older adults.
Kinetic Resolution of β-Alkyl Phenylethylamine Derivatives through Palladium-Catalyzed, Nosylamide-Directed C−H Olefination
Authors: Zhao Zeng , Wang Jinxin , Du Zhiteng , Li Yuzhu , Sun Qingyan , Jin Huizi
Published: February 2023

Palladium-catalyzed C-H activation reactions have attracted the attention of organic researchers due to their unique high selectivity, broad functional group tolerance, and high efficiency, and they are widely used in natural products and asymmetric synthesis. Here, we report an example of enantioselective C-H alkenylation between β-alkyl phenylethylamine compounds and styrenes with Boc-L-lle-OH as the ligand and nosylamide as the directing group. This reaction is applicable to styrene containing various electron-deficient and electron-donating substitutions and may be utilized for the synthesis of benzoazepine compounds.
Synthesis and Cytotoxic Activity of the Derivatives of N-(Purin-6-yl)aminopolymethylene Carboxylic Acids and Related Compounds
Authors: Krasnov Victor P. , Vozdvizhenskaya Olga A. , Baryshnikova Maria A. , Pershina Alexandra G. , Musiyak Vera V. , Matveeva Tatyana V. , Nevskaya Kseniya V. , Brikunova Olga Y. , Gruzdev Dmitry A. , Levit Galina L.
Published: February 2023

Testing a number of N-[omega-(purin-6-yl)aminoalkanoyl] derivatives of 7,8-difluoro-3,4-dihydro-3-methyl-2H-[1,4]benzoxazine in a panel of nine tumor cell lines has shown that the studied compounds exhibit high cytotoxic activity, especially against 4T1 murine mammary carcinoma, COLO201 human colorectal adenocarcinoma, SNU-1 human gastric carcinoma, and HepG2 human hepatocellular carcinoma cells. Synthesis and study of structural analogs of these compounds made it possible to find that the presence of both a difluorobenzoxazine fragment and a purine residue bound via a linker of a certain length is crucial for the manifestation of the cytotoxic activity of this group of compounds. The study of the effect of the most promising compound on the cell cycle of the human tumor cell lines, the most sensitive and least sensitive to cytotoxic action (MDA-MB-231 breast adenocarcinoma and COLO201 colorectal adenocarcinoma, respectively), allows us to conclude that this compound is an inhibitor of DNA biosynthesis. The found group of purine conjugates may be of interest in the design of new antitumor agents.
Functionalized Sulfur-Containing Heterocyclic Analogs Induce Sub-G1 Arrest and Apoptotic Cell Death of Laryngeal Carcinoma In Vitro
Authors: Haridevamuthu B. , Manjunathan Tamilvelan , Wilson Alphonse Carlton Ranjith , Kumar Rajendran Saravana , Thanigaivel Sundaram , Chandra Kishore Somasundaram , Sundaram Vickram , Gopinath Pushparathinam , Arockiaraj Jesu , Bellucci Stefano
Published: February 2023

In this study, we speculate that the hydroxyl-containing benzo[b]thiophene analogs, 1-(3-hydroxybenzo[b]thiophen-2-yl) ethanone (BP) and 1-(3-hydroxybenzo[b]thiophen-2-yl) propan-1-one hydrate (EP), might possess antiproliferative activity against cancer cells. Hydroxyl-containing BP and EP show selectivity towards laryngeal cancer cells (HEp2), with IC50 values of 27.02 ± 1.23 and 35.26 ± 2.15 µM, respectively. The hydroxyl group present in the third position is responsible for the anticancer activity and is completely abrogated when the hydroxyl group is masked. BP and EP enhance the antioxidant enzyme activity and reduce the ROS production, which are correlated with the antiproliferative effect in HEp-2 cells. An increase in the BAX/BCL-2 ratio occurs during the BP and EP treatment and activates the caspase cascade, resulting in apoptosis stimulation. It also arrests the cells in the Sub-G1 phase, indicating the induction of apoptosis. The molecular docking and simulation studies predicted a strong interaction between BP and the CYP1A2 protein, which could aid in combinational therapy by enhancing the bioavailability of the drugs. BP and EP possess an antioxidant property with low antiproliferative effects (~5.18 µg/mL and ~7.8 µg/mL) as a standalone drug, therefore, they can be combined with other drugs for effective chemotherapy that might trigger the effect of pro-oxidant drug on healthy cells.
Intensifying Effect of Instant Controlled Pressure Drop (DIC) Pre-Treatment on Hesperidin Recovery from Orange Byproducts: In Vitro Antioxidant and Antidiabetic Activities of the Extracts
Authors: Ben Abdallah Mariem , Chadni Morad , M’hiri Nouha , Brunissen Fanny , Rokbeni Nesrine , Allaf Karim , Besombes Colette , Ioannou Irina , Boudhrioua Nourhene
Published: February 2023

The orange byproduct is a widely accessible and valuable source of functional phenolic compounds, particularly hesperidin. Hesperidin extraction remains a challenging phase in its valorization chain due to its low solubility and limited extractability in solvents. This work aims to examine the effect of conventional solvent extraction (CSE) compared to emerging and innovative extraction methods: accelerated solvent extraction (ASE) and ultrasound-assisted extraction (UAE) when applied with or without a pretreatment process of instant controlled pressure drop (DIC) to intensify extraction, antioxidant, and antidiabetic activities. The total phenols, flavonoids, hesperidin contents, radical scavenging activities, iron chelating activity, and in vitro α-amylase inhibition of the extracts were determined for CSE (80%, 70 °C), UAE (ethanol 80%, 70 °C, 200 W), and ASE (ethanol 60%, 100 °C, 100 bars) with or without DIC pretreatment (pressure = 0.4 MPa, total thermal time = 30 s). The hesperidin amounts obtained were 0.771 ± 0.008 g/100 g DM, 0.823 ± 0.054 g/100 g DM, and 1.368 ± 0.058 g/100 g DM, for CSE, UAE, and ASE, respectively. DIC pretreatment of orange byproducts increased hesperidin recovery by 67%, 25.6%, and 141% for DIC-CSE, DIC-UAE, and DIC-ASE, respectively. The DPPH and ABTS radical scavenging and iron chelating activities of extracts were also significantly enhanced, and the in vitro antidiabetic activity of extracts was preserved.
Designing Next-Generation Drug-like Molecules for Medicinal Applications
Authors: Khan Imtiaz , Zaib Sumera
Published: February 2023

The development of new drugs/drug candidates for medical treatment remains an exciting but challenging process as only a limited number of synthetic compounds fit well into the discovery and development process after multiple experiments and screening for their preclinical properties [...]
Calix[4]arene Derivative for Iodine Capture and Effect on Leaching of Iodine through Packaging
Authors: Ferreri Loredana , Rapisarda Marco , Leanza Melania , Munzone Cristina , D’Antona Nicola , Consoli Grazia Maria Letizia , Rizzarelli Paola , Spina Emanuela Teresa Agata
Published: February 2023

A hydrophobic calix[4]arene derivative was investigated for its iodine (I2) capture efficiency from gaseous and liquid phase. The iodine uptake was followed by UV-vis spectroscopy. Additionally, the influence of the calix[4]arene derivative–polyolefin system on the leaching of iodine through packaging from a povidone-iodine-based (PVP-I) formulation was evaluated. In fact, iodine is a low-cost, multi-target, and broad-spectrum antiseptic. However, it is volatile, and the extended storage of I2-based formulations is challenging in plastic packaging. Here, we investigated the possibility of reducing the loss of I2 from an iodophor formulation by incorporating 4-tert-butylcalix [4]arene-tetraacetic acid tetraethyl ester (CX) and its iodine complex in high-density polyethylene (HDPE) or polypropylene (PP) via a swelling procedure. Surface and bulk changes were monitored by contact angle, thermogravimetric analysis (TGA), and UV-vis diffuse reflectance spectra. The barrier effect of the different polymeric systems (embedded with CX, iodine-CX complex, or I2) was evaluated by monitoring the I2 retention in a buffered PVP-I solution by UV-vis spectroscopy. Overall, experimental data showed the capability of the calix[4]arene derivative to complex iodine in solution and the solid state and a significant reduction in the iodine leaching by the PP-CX systems.
Modification of Multiwalled Carbon Nanotubes and Their Mechanism of Demanganization
Authors: Zhou Yuan , He Yingying , Wang Ruixue , Mao Yongwei , Bai Jun , Dou Yan
Published: February 2023

Multiwalled carbon nanotubes (MWCNTs) were modified by oxidation and acidification with concentrated HNO3 and H2SO4, and the modified multiwalled carbon nanotubes (M-MWCNTs) and raw MWCNTs were characterized by several analytical techniques. Then the demanganization effects of MWCNTs and M-MWCNTs were well investigated and elucidated. The experimental data demonstrated that the adsorption efficiency of Mn(II) could be greatly promoted by M-MWCNTs from about 20% to 75%, and the optimal adsorption time was 6 h and the optimal pH was 6. The results of the kinetic model studies showed that Mn(II) removal by M-MWCNTs followed the pseudo-second-order model. Isothermal studies were conducted and the results demonstrated that the experimental data fitted well with the three models. The reliability of the experimental results was well verified by PSO–BP simulation, and the present conclusion could be used as a condition for further simulation. The research results provide a potential technology for promoting the removal of manganese from wastewater; at the same time, the application of various mathematical models also provides more scientific ideas for the research of the mechanism of adsorption of heavy metals by nanomaterials.
Molecular Modes of Action of an Aqueous Nerium oleander Extract in Cancer Cells In Vitro and In Vivo
Authors: Rashan Luay J. , Özenver Nadire , Boulos Joelle C. , Dawood Mona , Roos Wynand P. , Franke Katrin , Papasotiriou Ioannis , Wessjohann Ludger A. , Fiebig Heinz-Herbert , Efferth Thomas
Published: February 2023

Cancer drug resistance remains a major obstacle in clinical oncology. As most anticancer drugs are of natural origin, we investigated the anticancer potential of a standardized cold-water leaf extract from Nerium oleander L., termed Breastin. The phytochemical characterization by nuclear magnetic resonance spectroscopy (NMR) and low- and high-resolution mass spectrometry revealed several monoglycosidic cardenolides as major constituents (adynerin, neritaloside, odoroside A, odoroside H, oleandrin, and vanderoside). Breastin inhibited the growth of 14 cell lines from hematopoietic tumors and 5 of 6 carcinomas. Remarkably, the cellular responsiveness of odoroside H and neritaloside was not correlated with all other classical drug resistance mechanisms, i.e., ATP-binding cassette transporters (ABCB1, ABCB5, ABCC1, ABCG2), oncogenes (EGFR, RAS), tumor suppressors (TP53, WT1), and others (GSTP1, HSP90, proliferation rate), in 59 tumor cell lines of the National Cancer Institute (NCI, USA), indicating that Breastin may indeed bypass drug resistance. COMPARE analyses with 153 anticancer agents in 74 tumor cell lines of the Oncotest panel revealed frequent correlations of Breastin with mitosis-inhibiting drugs. Using tubulin-GFP-transfected U2OS cells and confocal microscopy, it was found that the microtubule-disturbing effect of Breastin was comparable to that of the tubulin-depolymerizing drug paclitaxel. This result was verified by a tubulin polymerization assay in vitro and molecular docking in silico. Proteome profiling of 3171 proteins in the NCI panel revealed protein subsets whose expression significantly correlated with cellular responsiveness to odoroside H and neritaloside, indicating that protein expression profiles can be identified to predict the sensitivity or resistance of tumor cells to Breastin constituents. Breastin moderately inhibited breast cancer xenograft tumors in vivo. Remarkably, in contrast to what was observed with paclitaxel monotherapy, the combination of paclitaxel and Breastin prevented tumor relapse, indicating Breastin’s potential for drug combination regimens.
Electron Paramagnetic Resonance Studies of Irradiated Grape Snails (Helix pomatia) and Investigation of Biophysical Parameters
Authors: Nasibova Aygun , Khalilov Rovshan , Bayramov Mahammad , Mustafayev İslam , Eftekhari Aziz , Abbasov Mirheydar , Kavetskyy Taras , Rosić Gvozden , Selakovic Dragica
Published: February 2023

A study of grape snails (Helix pomatia) using the electron paramagnetic resonance (EPR) spectroscopy method, where shells were exposed to ionizing gamma radiation, indicated that the effect of radiation up to certain doses results in the emergence of magnetic properties in the organism. The identification of the EPR spectra of the body and shell parts of the control and irradiated grape snails separately showed that more iron oxide magnetic nanoparticles are generated in the body part of the grape snail compared to the shells. A linear increase in free radical signals (g = 2.0023) in the body and shell parts of grape snails, and a non-monotonic change in the broad EPR signal (g = 2.32) characterizing iron oxide magnetic nanoparticles was determined depending on the dose of ionizing gamma radiation. Additionally, the obtained results showed that grape snails can be used as bioindicators for examining the ecological state of the environment. At the same time, the radionuclide composition of the body and shell parts of the grape snails and their specific activities were determined by CANBERRA gamma spectroscopy. The FTIR spectra of mucin, a liquid secreted by snails, were recorded.
Study on Synthesizing Isobornyl Acetate/Isoborneol from Camphene Using α-Hydroxyl Carboxylic Acid Composite Catalyst
Authors: Meng Zhong-Lei , Qin Rong-Xiu , Wen Ru-Si , Li Gui-Qing , Liang Zhong-Yun , Xie Jun-Kang , Zhou Yong-Hong , Yang Zhang-Qi
Published: February 2023

This study examined the preparation of isobornyl acetate/isoborneol from camphene using an α-hydroxyl carboxylic acid (HCA) composite catalyst. Through the study of the influencing factors, it was found that HCA and boric acid exhibited significant synergistic catalysis. Under optimal conditions, when tartaric acid–boric acid was used as the catalyst, the conversion of camphene and the gas chromatography (GC) content and selectivity of isobornyl acetate were 92.9%, 88.5%, and 95.3%, respectively. With the increase in the ratio of water to acetic acid, the GC content and selectivity of isobornol in the product increased, but the conversion of camphene decreased. The yield of isobornol was increased by adding ethyl acetate or titanium sulfate/zirconium sulfate to form a ternary composite catalyst. When a ternary complex of titanium sulfate, tartaric acid, and boric acid was used as the catalyst, the GC content of isobornol in the product reached 55.6%. Under solvent-free conditions, mandelic acid–boric acid could catalyze the hydration reaction of camphene, the GC content of isoborneol in the product reached 26.1%, and the selectivity of isoborneol was 55.9%. The HCA–boric acid composite catalyst can use aqueous acetic acid as a raw material, which is also beneficial for the reuse of the catalyst.
Zwitterionic or Not? Fast and Reliable Structure Determination by Combining Crystal Structure Prediction and Solid-State NMR
Authors: Bravetti Federica , Russo Raffaele E. , Bordignon Simone , Gallo Angelo , Rossi Federica , Nervi Carlo , Gobetto Roberto , Chierotti Michele R.
Published: February 2023

When it comes to crystal structure determination, computational approaches such as Crystal Structure Prediction (CSP) have gained more and more attention since they offer some insight on how atoms and molecules are packed in the solid state, starting from only very basic information without diffraction data. Furthermore, it is well known that the coupling of CSP with solid-state NMR (SSNMR) greatly enhances the performance and the accuracy of the predictive method, leading to the so-called CSP-NMR crystallography (CSP-NMRX). In this paper, we present the successful application of CSP-NMRX to determine the crystal structure of three structural isomers of pyridine dicarboxylic acid, namely quinolinic, dipicolinic and dinicotinic acids, which can be in a zwitterionic form, or not, in the solid state. In a first step, mono- and bidimensional SSNMR spectra, i.e., 1H Magic-Angle Spinning (MAS), 13C and 15N Cross Polarisation Magic-Angle Spinning (CPMAS), 1H Double Quantum (DQ) MAS, 1H-13C HETeronuclear CORrelation (HETCOR), were used to determine the correct molecular structure (i.e., zwitterionic or not) and the local molecular arrangement; at the end, the RMSEs between experimental and computed 1H and 13C chemical shifts allowed the selection of the correct predicted structure for each system. Interestingly, while quinolinic and dipicolinic acids are zwitterionic and non-zwitterionic, respectively, in the solid state, dinicotinic acid exhibits in its crystal structure a “zwitterionic-non-zwitterionic continuum state” in which the proton is shared between the carboxylic moiety and the pyridinic nitrogen. Very refined SSNMR experiments were carried out, i.e., 14N-1H Phase-Modulated (PM) pulse and Rotational-Echo Saturation-Pulse Double-Resonance (RESPDOR), to provide an accurate N–H distance value confirming the hybrid nature of the molecule. The CSP-NMRX method showed a remarkable match between the selected structures and the experimental ones. The correct molecular input provided by SSNMR reduced the number of CSP calculations to be performed, leading to different predicted structures, while RMSEs provided an independent parameter with respect to the computed energy for the selection of the best candidate.
Effects of Antioxidant Combinations on the Renal Toxicity Induced Rats by Gold Nanoparticles
Authors: Alshammari Ghedeir M. , Al-Ayed Mohammed S. , Abdelhalim Mohamed Anwar , Al-Harbi Laila Naif , Yahya Mohammed Abdo
Published: February 2023

This study investigated some possible mechanisms underlying the nephrotoxic effect of gold nanoparticles (AuNPs) in rats and compared the protective effects of selected known antioxidants—namely, melanin, quercetin (QUR), and α-lipoic acid (α-LA). Rats were divided into five treatment groups (eight rats per group): control, AuNPs (50 nm), AuNPs + melanin (100 mg/kg), AuNPs + QUR (200 mg/kg), and AuNPs + α-LA (200 mg/kg). All treatments were administered i.p., daily, for 30 days. AuNPs promoted renal glomerular and tubular damage and impaired kidney function, as indicated by the higher serum levels of creatinine (Cr), urinary flow, and urea and albumin/Cr ratio. They also induced oxidative stress by promoting mitochondrial permeability transition pore (mtPTP) opening, the expression of NOX4, increasing levels of malondialdehyde (MDA), and suppressing glutathione (GSH), superoxide dismutase (SOD), and catalase (CAT). In addition, AuNPs induced renal inflammation and apoptosis, as evidenced by the increase in the total mRNA and the cytoplasmic and nuclear levels of NF-κB, mRNA levels of Bax and caspase-3, and levels of tumor necrosis factor-α (TNF-α) and interleukin-6 (IL-6). Treatment with melanin, QUR, and α-lipoic acid (α-LA) prevented the majority of these renal damage effects of AuNPs and improved kidney structure and function, with QUR being the most powerful. In conclusion, in rats, AuNPs impair kidney function by provoking oxidative stress, inflammation, and apoptosis by suppressing antioxidants, promoting mitochondrial uncoupling, activating NF-κB, and upregulating NOX4. However, QUR remains the most powerful drug to alleviate this toxicity by reversing all of these mechanisms.
Characterization of the Glucan-Branching Enzyme GlgB Gene from Swine Intestinal Bacteria
Authors: Shao Yuqi , Wang Weilan , Hu Ying , Gänzle Michael G.
Published: February 2023

Starch hydrolysis by gut microbiota involves a diverse range of different enzymatic activities. Glucan-branching enzyme GlgB was identified as the most abundant glycosidase in Firmicutes in the swine intestine. GlgB converts α-(1→4)-linked amylose to form α-(1→4,6) branching points. This study aimed to characterize GlgB cloned from a swine intestinal metagenome and to investigate its potential role in formation of α-(1→4,6)-branched α-glucans from starch. The branching activity of purified GlgB was determined with six different starches and pure amylose by quantification of amylose after treatment. GlgB reduced the amylose content of all 6 starches and amylose by more than 85% and displayed a higher preference towards amylose. The observed activity on raw starch indicated a potential role in the primary starch degradation in the large intestine as an enzyme that solubilizes amylose. The oligosaccharide profile showed an increased concentration of oligosaccharide introduced by GlgB that is not hydrolyzed by intestinal enzymes. This corresponded to a reduced in vitro starch digestibility when compared to untreated starch. The study improves our understanding of colonic starch fermentation and may allow starch conversion to produce food products with reduced digestibility and improved quality.
Permethrin as a Potential Furin Inhibitor through a Novel Non-Competitive Allosteric Inhibition
Authors: Feng Dongyan , Ren Le , Wu Jiaqi , Guo Lingling , Han Zhitao , Yang Jingjing , Xie Wei , Wang Yanbing , Xu Fanxing , Su Xin , Li Dahong , Cao Hao
Published: February 2023

Furin is a potential target protein associated with numerous diseases; especially closely related to tumors and multiple viral infections including SARS-CoV-2. Most of the existing efficient furin inhibitors adopt a substrate analogous structure, and other types of small molecule inhibitors need to be discovered urgently. In this study, a high-throughput screening combining virtual and physical screening of natural product libraries was performed, coupled with experimental validation and preliminary mechanistic assays at the molecular level, cellular level, and molecular simulation. A novel furin inhibitor, permethrin, which is a derivative from pyrethrin I generated by Pyrethrum cinerariifolium Trev. was identified, and this study confirmed that it binds to a novel allosteric pocket of furin through non-competitive inhibition. It exhibits a very favorable protease-selective inhibition and good cellular activity and specificity. In summary, permethrin shows a new parent nucleus with a new mode of inhibition. It could be used as a highly promising lead compound against furin for targeting related tumors and various resistant viral infections, including SARS-CoV-2.
Hybrid Composite of Sn(IV)-Porphyrin and Mesoporous Structure for Enhanced Visible Light Photocatalytic Degradation of Organic Dyes
Authors: Shee Nirmal Kumar , Park Beom-Hyeok , Kim Hee-Joon
Published: February 2023

Two hybrid composites (SnP@MCM−41 and SnP@SiO2) were fabricated by chemical adsorption of (trans-dihydroxo)(5,10,15,20-tetraphenylporphyrinato)tin(IV) (SnP) on mesoporous structured Mobil Composition of Matter No. 41 (MCM−41) and SiO2 nanoparticles. These materials were characterized by Fourier-transform infrared spectroscopy, ultraviolet–visible spectroscopy, fluorescence spectroscopy, transmission electron microscopy, and field-emission scanning electron microscopy techniques. The incorporation of SnP into MCM−41 and SiO2 supports efficient photocatalytic degradation of the anionic erioglaucine, cationic rhodamine B, and neutral m-cresol purple dyes under visible light irradiation in an aqueous solution. The performances of degradation of these dyes by these photocatalysts under visible light irradiation varied from 87 to 95%. The pseudo-first-order degradation rate constant of organic dyes for SnP@MCM−41 was higher than those of SnP@SiO2 and SnP. These visible light photocatalysts showed remarkable stability and reliable reusability.
Electrospun Zr-Doped CaO Sorbent for CO2 Capture
Authors: Rodaev Vyacheslav V. , Razlivalova Svetlana S. , Tyurin Alexander I. , Vasyukov Vladimir M.
Published: February 2023

A Zr-doped CaO sorbent for high-temperature CO2 capture was fabricated using electrospinning. The nanofiber sorbent with an average filament diameter of about 160 nm is characterized by an initial CO2 uptake capacity of 12.1 mmol/g, a specific surface area of 79 m2/g, an indentation Young’s modulus of 520 MPa, and a hardness of 1.6 MPa. After 50 carbonation/decarbonation cycles, the sorbent has a decent CO2 uptake capacity of 9.7 mmol/g due to the uniform distribution of CaZrO3 in the CaO nanofibers to prevent CaO grain growth caused by CaCO3 sintering. It is revealed that the sorbent CO2 uptake capacity decreases both with an increase in the decarbonation temperature and with an increase in the CO2 concentration in the gas flow upon carbonation, where the sorbent CO2 uptake capacity is more sensitive to the decarbonation temperature than to the CO2 concentration in the gaseous stream during carbonation. It is assumed that the electrospun regenerable Zr-doped CaO sorbent is effective for removing CO2 from flue gases.