bluuebunny/crossref_metadata_2025 huggingface dataset:
Multicomponent Transient Electromagnetic Exploration Technology and Its Application
Authors: Wang Xingchun , Zhi Qingquan , Wu Junjie , Deng Xiaohong , Huang Yue , Yang Qi’an , Wang Jinhai
Published: May 2022

To take full advantage of the multicomponent transient electromagnetic method, we summarize the advantages of multicomponent exploration based on simulation calculation. We have carried out experiments on the effectiveness of the method in the known copper-nickel mining area. The results show that the characteristic curve of the horizontal component can effectively point to the central direction of the low-resistivity ore body and reflect the occurrence of the ore body. The degree of coupling between the vertical component and the ore body is high, which is beneficial for quantitative inversion. The results for the horizontal component and vertical component interpretations are consistent, which reduces the limitation of conventional single vertical component interpretation and effectively improves the work efficiency in field work.
Total vs. Partial Acid Digestion Methods for Trace Element Analysis in Archaeological Sediments
Authors: Gallello Gianni , Ramacciotti Mirco , Puchol Oreto García , Lezzerini Marco , McClure Sarah B. , Pastor Agustín
Published: May 2022

Trace element analysis of sediments from archaeological sites is a valuable method to investigate the anthropic impact and obtain information on the functions of different areas and changes in human activities. One of the most used and effective techniques to carry out this kind of analysis is inductively coupled plasma–mass spectrometry. This technique needs a previous dissolution of the sample by acid attack, but the development of the best method is still a discussed issue. In the present work, total and partial digestion methods were carried out in sediment samples of Cueva de la Cocina (Dos Aguas, Spain), and trace elements were measured and statistically compared. Major elements, soil organic matter amount, and pH data were used to evaluate the main drivers of trace element contents. The differences between the results from the two methods were highlighted. Total digestion is more effective for aluminosilicates and heavy minerals, although the partial digestion results suggested that, in most cases, the difference between the two methods is irrelevant for archaeological interpretations. Furthermore, in some cases, the total digestion of the mineral phases related to the geological contribution could mask the anthropic elemental signals.
Comparison of the Effects of Sodium Oleate and Benzohydroxamic Acid on Fine Scheelite and Cassiterite Hydrophobic Flocculation
Authors: Jin Saizhen , Ou Leming
Published: May 2022

Sodium oleate (NaOL) and benzohydroxamic acid (BHA) are commonly used scheelite and cassiterite flotation collectors. Hydrophobic flocculation flotation of fine minerals has been extensively studied and reported under a NaOL system, but not under a BHA system. In this paper, the particle size distribution and flotation behaviour of fine scheelite (−10 μm) and cassiterite (−37 + 10 and −23 μm) after shear stirring in NaOL, BHA, and Pb2+ + BHA systems were studied by laser particle size analysis and flotation tests. The measured particle size distribution results revealed that the fine minerals could aggregate under a NaOL system, and the aggregate size increased with increasing stirring time and speed, with scheelite aggregating faster than cassiterite. BHA did not cause scheelite or cassiterite to form hydrophobic aggregates. At low stirrer speeds, the minerals could form small, weak, and easily broken aggregates when Pb2+ + BHA was added. The results of the flotation tests revealed that increasing the stirring time and speed increased the flotation rate and recovery when NaOL and BHA were added. When Pb2+ + BHA was added, however, the changes in flotation rate and recovery were not noticeable when the stirring conditions were changed.
The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor
Authors: Varadwaj Arpita , Varadwaj Pradeep R. , Marques Helder M. , Yamashita Koichi
Published: May 2022

In chemical systems, the arsenic-centered pnictogen bond, or simply the arsenic bond, occurs when there is evidence of a net attractive interaction between the electrophilic region associated with a covalently or coordinately bound arsenic atom in a molecular entity and a nucleophile in another or the same molecular entity. It is the third member of the family of pnictogen bonds formed by the third atom of the pnictogen family, Group 15 of the periodic table, and is an inter- or intramolecular noncovalent interaction. In this overview, we present several illustrative crystal structures deposited into the Cambridge Structure Database (CSD) and the Inorganic Chemistry Structural Database (ICSD) during the last and current centuries to demonstrate that the arsenic atom in molecular entities has a significant ability to act as an electrophilic agent to make an attractive engagement with nucleophiles when in close vicinity, thereby forming σ-hole or π-hole interactions, and hence driving (in part, at least) the overall stability of the system’s crystalline phase. This overview does not include results from theoretical simulations reported by others as none of them address the signatory details of As-centered pnictogen bonds. Rather, we aimed at highlighting the interaction modes of arsenic-centered σ- and π-holes in the rationale design of crystal lattices to demonstrate that such interactions are abundant in crystalline materials, but care has to be taken to identify them as is usually done with the much more widely known noncovalent interactions in chemical systems, halogen bonding and hydrogen bonding. We also demonstrate that As-centered pnictogen bonds are usually accompanied by other primary and secondary interactions, which reinforce their occurrence and strength in most of the crystal structures illustrated. A statistical analysis of structures deposited into the CSD was performed for each interaction type As···D (D = N, O, S, Se, Te, F, Cl, Br, I, arene’s π system), thus providing insight into the typical nature of As···D interaction distances and ∠R–As···D bond angles of these interactions in crystals, where R is the remainder of the molecular entity.
Synthesis of Four Orthogonally Protected Rare l-Hexose Thioglycosides from d-Mannose by C-5 and C-4 Epimerization
Authors: Demeter Fruzsina , Bereczki Ilona , Borbás Anikó , Herczeg Mihály
Published: May 2022

l-Hexoses are important components of biologically relevant compounds and precursors of some therapeuticals. However, they typically cannot be obtained from natural sources and due to the complexity of their synthesis, their commercially available derivatives are also very expensive. Starting from one of the cheapest d-hexoses, d-mannose, using inexpensive and readily available chemicals, we developed a reaction pathway to obtain two orthogonally protected l-hexose thioglycoside derivatives, l-gulose and l-galactose, through the corresponding 5,6-unsaturated thioglycosides by C-5 epimerization. From these derivatives, the orthogonally protected thioglycosides of further two l-hexoses (l-allose and l-glucose) were synthesized by C-4 epimerization. The preparation of the key intermediates, the 5,6-unsaturated derivatives, was systematically studied using various protecting groups. By the method developed, we are able to produce highly functionalized l-gulose derivatives in 9 steps (total yields: 21–23%) and l-galactose derivatives in 12 steps (total yields: 6–8%) starting from d-mannose.
The Antioxidant and Hypolipidemic Effects of Mesona Chinensis Benth Extracts
Authors: Xiao Luhua , Lu Xiaoying , Yang Huilin , Lin Cuiqing , Li Le , Ni Chen , Fang Yuan , Mo Suifen , Zhan Ruoting , Yan Ping
Published: May 2022

In this study, the antioxidant and hypolipidemic effects of Mesona Chinensis Benth (MCB) extracts were evaluated. Seven fractions (F0, F10, F20, F30, F40, F50 and MTF) were obtained from the MCB ethanol extracts. Compared to the commercial antioxidants (vitamin C), MTF and F30 exhibited higher antioxidant activities in the antiradical activity test and the FRAP assay. The half-inhibition concentration (IC50) for MTF and F30 were 5.323 µg/mL and 5.278 µg/mL, respectively. MTF at 200 µg/mL significantly decreased the accumulation of TG in oleic acid (OA)-induced HepG2 cells and reversed the inhibitory effect of Compound C on AMPK (MTF and F30 significantly increased the glucose utilization of insulin-induced HepG2 cells). In addition, the components of MTF were identified by HPLC-MS, which were caffeic acid, quercetin 3-O-galactoside, isoquercetin, astragalin, rosmarinic acid, aromadendrin-3-O-rutinoside, rosmarinic acid-3-O-glucoside and kaempferol-7-O-glucoside. Through statistical correlations by Simca P software, it was found that the main antioxidant and hypolipidemic components of MCB might be caffeic acid, kaempferol-7-O-glucoside, rosmarinic acid-3-O-glucoside and aromadendrin-3-O-rutinoside, which may play important roles in the AMPK pathway. MTF and F30 in MCB could be potential health products for the treatment of hyperlipidemia.
Action Sites and Clinical Application of HIF-1α Inhibitors
Authors: Xu Renfeng , Wang Fan , Yang Hongqin , Wang Zhengchao
Published: May 2022

Hypoxia-inducible factor-1α (HIF-1α) is widely distributed in human cells, and it can form different signaling pathways with various upstream and downstream proteins, mediate hypoxia signals, regulate cells to produce a series of compensatory responses to hypoxia, and play an important role in the physiological and pathological processes of the body, so it is a focus of biomedical research. In recent years, various types of HIF-1α inhibitors have been designed and synthesized and are expected to become a new class of drugs for the treatment of diseases such as tumors, leukemia, diabetes, and ischemic diseases. This article mainly reviews the structure and functional regulation of HIF-1α, the modes of action of HIF-1α inhibitors, and the application of HIF-1α inhibitors during the treatment of diseases.
The Role of Side Chains in the Fine-Tuning of the Metal-Binding Ability of Multihistidine Peptides
Authors: Székely Enikő , Csire Gizella , Balogh Bettina Diána , Erdei Judit Zsuzsa , Király Judit Mária , Kocsi Judit , Pinkóczy Júlia , Várnagy Katalin
Published: May 2022

The systematic studies of copper(II), nickel(II) and zinc(II) ion complexes of protected multihistidine peptides containing amino acids with different side chains (Ac-SarHAH-NH2, Ac-HADH-NH2, Ac-HDAH-NH2, Ac-HXHYH-NH2 X, Y = A, F, D or K, Ac-HXHAHXH-NH2, X = F or D) have provided information about the metal ion and protein interaction and have made it possible to draw conclusions regarding general trends in the coordination of metal complexes of multihistidine peptides. The stability of the metal complexes significantly depends on the position of the histidines and amino acids, which are present in the neighbourhood of the histidine amino acids as well. The most significant effect was observed on peptides containing aspartic acid or phenylalanine. The redox parameters of complexes, however, depend on the number and position of histidines, and the other side chain donor atoms have practically no effect on the electrochemical properties of imidazole-coordinated species. However, the presence of aspartic acid side chains results in a more distorted geometry of amide-coordinated species and increases the reducibility of these complexes.
Biochemical, Kinetic and Biological Properties of Group V Phospholipase A2 from Dromedary
Authors: Alonazi Mona , Karray Aida , Jallouli Raida , Ben Bacha Abir
Published: May 2022

Secretory group V phospholipase A2 (PLA2-V) is known to be involved in inflammatory processes in cellular studies, nevertheless, the biochemical and the enzymatic characteristics of this important enzyme have been unclear yet. We reported, as a first step towards understanding the biochemical properties, catalytic characteristics, antimicrobial and cytotoxic effects of this PLA2, the production of PLA2-V from dromedary. The obtained DrPLA2-V has an absolute requirement for Ca2+ and NaTDC for enzymatic activity with an optimum pH of 9 and temperature of 45 °C with phosphatidylethanolamine as a substrate. Kinetic parameters showed that Kcat/Kmapp is 2.6 ± 0.02 mM−1 s−1. The enzyme was found to display potent Gram-positive bactericidal activity (with IC50 values of about 5 µg/mL) and antifungal activity (with IC50 values of about 25 µg/mL)in vitro. However, the purified enzyme did not display a cytotoxic effect against cancer cells.
Statistical Methods in the Study of Protein Binding and Its Relationship to Drug Bioavailability in Breast Milk
Authors: Wanat Karolina , Brzezińska Elżbieta
Published: May 2022

Protein binding (PB) is indicated as the factor most severely limiting distribution in the organism, reducing the bioavailability of the drug, but also minimizing the penetration of xenobiotics into the fetus or the body of a breastfed child. Therefore, PB is an important aspect to be analyzed and monitored in the design of new drug substances. In this paper, several statistical analyses have been introduced to find the relationship between protein binding and the amount of drug in breast milk and to select molecular descriptors responsible for both pharmacokinetic phenomena. Along with descriptors related to the physicochemical properties of drugs, chromatographic descriptors from TLC and HPLC experiments were also used. Both methods used modification of the stationary phase, using bovine serum albumin (BSA) in TLC and human serum albumin (HSA) in HPLC. The use of the chromatographic data in the protein binding study was found to be positive —the most effective application of normal-phase TLC and HPLCHSA data was found. Statistical analyses also confirmed the prognostic value of affinity chromatography data and protein binding itself as the most important parameters in predicting drug excretion into breast milk.
Biphenyl Ether Analogs Containing Pomalidomide as Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction
Authors: Shaabani Shabnam , Gadina Louis , Surmiak Ewa , Wang Zefeng , Zhang Bidong , Butera Roberto , Zarganes-Tzitzikas Tryfon , Rodriguez Ismael , Kocik-Krol Justyna , Magiera-Mularz Katarzyna , Skalniak Lukasz , Dömling Alexander , Holak Tad A.
Published: May 2022

New biphenyl-based chimeric compounds containing pomalidomide were developed and evaluated for their activity to inhibit and degrade the programmed cell death-1/programmed cell death- ligand 1 (PD-1/PD-L1) complex. Most of the compounds displayed excellent inhibitory activity against PD-1/PD-L1, as assessed by the homogenous time-resolved fluorescence (HTRF) binding assay. Among them, compound 3 is one of the best with an IC50 value of 60 nM. Using an ex vivo PD-1/PD-L1 blockade cell line bioassay that expresses human PD-1 and PD-L1, we show that compounds 4 and 5 significantly restore the repressed immunity in this co-culture model. Western blot data, however, demonstrated that these anti-PD-L1/pomalidomide chimeras could not reduce the protein levels of PD-L1.
Synthesis of Xylan-Click-Quaternized Chitosan via Click Chemistry and Its Application in the Preparation of Nanometal Materials
Authors: Luo Yuqiong , Cai Jihai , Huang Yanan , Luo Jiwen
Published: May 2022

For the high-valued utilization of hemicelluloses and for realizing the controllable synthesis of NPs, this paper’s aim is to combine xylan, chitosan and nanometal materials at the same time. In this research study, firstly, propargyl xylan was synthesized via nucleophilic substitution reaction between xylan and propargyl bromide in NaOH solution. On the other hand, a tosyl group was introduced onto the 6th position of synthesized quaternized chitosan (QCS), and the azide group replaced the tosyl group to obtain 6-amido-QCS (QCS-N3). The synthesis conditions of the above reactions were optimized. Subsequently, the novel xylan-click-QCS polymer was obtained via click reaction between terminal alkyne groups on the xylan chains and azide groups on QCS. Then, AgNPs and AuNPs were synthesized by adopting the xylan-click-QCS polymer as the reducing and stabilizing agent, and the reaction conditions were optimized to obtain well-dispersed and highly stable nanoparticles. There were two kinds of Ag nanomaterials, with diameters of 10~20 nm and 2~5 nm, respectively, indicating the formation of Ag nanoclusters, except for Ag nanoparticles, in this reaction. The diameter of the synthesized AuNPs was 20~30 nm, which possessed a more uniform size distribution. The Ag nanoclusters with a smaller size (2~5 nm) could inhibit MCF-7 cell proliferation effectively, indicating their application potential in cancer therapy. The study gives a new approach to the high-value utilization of biopolymers.
Isoquercitrin Attenuates Osteogenic Injury in MC3T3 Osteoblastic Cells and the Zebrafish Model via the Keap1-Nrf2-ARE Pathway
Authors: Li Xue , Zhou Dongyue , Yang Di , Fu Yunhua , Tao Xingyu , Hu Xuan , Dai Yulin , Yue Hao
Published: May 2022

Isoquercitrin (IQ) widely exists in natural products, with a variety of pharmacological activities. In this study, the anti-apoptotic and antioxidative activities of IQ were evaluated. IQ showed protective activity against 2, 2′-azobis [2-methylpropionamidine] dihydrochloride (AAPH)-induced cell damage, as well as a marked reduction in reactive oxygen species (ROS). The evidence of IQ regulating Keap1-Nrf2-ARE and the mitochondrial-mediated Caspase 3 pathway were found in the MC3T3 osteoblastic cell line. Furthermore, IQ significantly decreased ROS production, apoptosis, and lipid peroxidation in AAPH-treated 72 h post-fertilization (hpf) zebrafish, as observed via DCFH-DA, acridine orange (AO), and a 1,3-bis(diphenylphosphino) propane (DPPP) probe, respectively. In AAPH-treated 9 day post-fertilization (dpf) zebrafish, IQ strongly promoted osteogenic development, with increased concentrations by calcein staining, compared with the untreated group. In a molecular docking assay, among all signal proteins, Keap1 showed the strongest affinity with IQ at −8.6 kcal/mol, which might be the reason why IQ regulated the Keap1-Nrf2-ARE pathway in vitro and in vivo. These results indicated that IQ promotes bone development and repairs bone injury, which is valuable for the prevention and treatment of bone diseases.
MALDI Mass Spectrometry Imaging for the Distinction of Adenocarcinomas of the Pancreas and Biliary Tree
Authors: Bollwein Christine , Gonҫalves Juliana Pereira Lopes , Utpatel Kirsten , Weichert Wilko , Schwamborn Kristina
Published: May 2022

Pancreatic ductal adenocarcinoma and cholangiocarcinoma constitute two aggressive tumor types that originate from the epithelial lining of the excretory ducts of the pancreatobiliary tract. Given their close histomorphological resemblance, a correct diagnosis can be challenging and almost impossible without clinical information. In this study, we investigated whether mass spectrometric peptide features could be employed to distinguish pancreatic ductal adenocarcinoma from cholangiocarcinoma. Three tissue microarrays of formalin-fixed and paraffin-embedded material (FFPE) comprising 41 cases of pancreatic ductal adenocarcinoma and 41 cases of cholangiocarcinoma were analyzed by matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI). The derived peptide features and respective intensities were used to build different supervised classification algorithms: gradient boosting (GB), support vector machine (SVM), and k-nearest neighbors (KNN). On a pixel-by-pixel level, a classification accuracy of up to 95% could be achieved. The tentative identification of discriminative tryptic peptide signatures revealed proteins that are involved in the epigenetic regulation of the genome and tumor microenvironment. Despite their histomorphological similarities, mass spectrometry imaging represents an efficient and reliable approach for the distinction of PDAC from CC, offering a promising complementary or alternative approach to the existing tools used in diagnostics such as immunohistochemistry.
α-Aminophosphonates, -Phosphinates, and -Phosphine Oxides as Extraction and Precipitation Agents for Rare Earth Metals, Thorium, and Uranium: A Review
Authors: Kukkonen Esa , Virtanen Emilia Josefiina , Moilanen Jani Olavi
Published: May 2022

α-Aminophosphonates, -phosphinates, and -phosphine oxides are a group of organophosphorus compounds that were investigated as extraction agents for rare earth (RE) metals and actinoids for the first time in the 1960s. However, more systematic investigations of their extraction properties towards REs and actinoids were not started until the 2010s. Indeed, recent studies have shown that these α-amino-functionalized compounds can outperform the commercial organophosphorus extraction agents in RE separations. They have also proven to be very efficient extraction and precipitation agents for recovering Th and U from RE concentrates. These actinoids coexist with REs in some of the commercially important RE-containing minerals. The efficient separation and purification of REs is becoming more and more important every year as these elements have a pivotal role in many existing technologies. If one also considers the facile synthesis of α-amino-functionalized organophosphorus extractants and precipitation agents, it is expected that they will be increasingly utilized in the extraction chemistry of REs and actinoids in the future. This review collates α-aminophosphonates, -phosphinates, and -phosphine oxides that have been utilized in the separation chemistry of REs and actinoids, including their most relevant synthetic routes and molecular properties. Their extraction and precipitation properties towards REs and actinoids are also discussed.
New Coordination Compounds Based on a Pyrazine Derivative: Design, Characterization, and Biological Study
Authors: Climova Alina , Pivovarova Ekaterina , Rogalewicz Bartłomiej , Raducka Anita , Szczesio Małgorzata , Korona-Głowniak Izabela , Korga-Plewko Agnieszka , Iwan Magdalena , Gobis Katarzyna , Czylkowska Agnieszka
Published: May 2022

New coordination compounds of Mn(II), Fe(III), Co(II), and Ni(II) and the biologically active ligand L (N′-benzylidenepyrazine-2-carbohydrazonamide) were synthesized and characterized by appropriate analytical techniques: elemental analysis (EA), thermogravimetric analysis (TG–DTG), infrared spectroscopy (FTIR), and flame-atomic absorption spectrometry (F-AAS). The biological activity of the obtained compounds was then comprehensively investigated. Rational use of these compounds as potential drugs was proven by ADME analysis. All obtained compounds were screened in vitro for antibacterial, antifungal, and anticancer activities. Some of the studied complexes exhibited significantly higher activity than the ligand alone.
Targeting Akt/NF-κB/p53 Pathway and Apoptosis Inducing Potential of 1,2-Benzenedicarboxylic Acid, Bis (2-Methyl Propyl) Ester Isolated from Onosma bracteata Wall. against Human Osteosarcoma (MG-63) Cells
Authors: Kumar Ajay , Kaur Sandeep , Dhiman Sukhvinder , Singh Prithvi Pal , Bhatia Gaurav , Thakur Sharad , Tuli Hardeep Singh , Sharma Upendra , Kumar Subodh , Almutary Abdulmajeed G. , Alnuqaydan Abdullah M. , Hussain Arif , Haque Shafiul , Dhama Kuldeep , Kaur Satwinderjeet
Published: May 2022

Onosma bracteata Wall. is an important medicinal and immunity-enhancing herbs. This plant is commonly used in the preparation of traditional Ayurvedic drugs to treat numerous diseases. Inspired by the medicinal properties of this plant, the present study aimed to investigate the antiproliferative potential and the primary molecular mechanisms of the apoptotic induction against human osteosarcoma (MG-63) cells. Among all the fractions isolated from O. bracteata, ethyl acetate fraction (Obea) showed good antioxidant activity in superoxide radical scavenging assay and lipid peroxidation assay with an EC50 value of 95.12 and 80.67 µg/mL, respectively. Silica gel column chromatography of ethyl acetate (Obea) fraction of O. bracteata yielded a pure compound, which was characterized by NMR, FTIR, and HR-MS analysis and was identified as 1,2-benzene dicarboxylic acid, bis (2-methyl propyl) ester (BDCe fraction). BDCe fraction was evaluated for the antiproliferative potential against human osteosarcoma MG-63, human neuroblastoma IMR-32, and human lung carcinoma A549 cell lines by MTT assay and exhibited GI50 values of 37.53 μM, 56.05 μM, and 47.12 μM, respectively. In MG-63 cells, the BDCe fraction increased the level of ROS and simultaneously decreased the mitochondria membrane potential (MMP) potential by arresting cells at the G0/G1 phase, suggesting the initiation of apoptosis. Western blotting analysis revealed the upregulation of p53, caspase3, and caspase9 while the expressions of p-NF-κB, p-Akt and Bcl-xl were decreased. RT-qPCR studies also showed upregulation in the expression of p53 and caspase3 and downregulation in the expression of CDK2, Bcl-2 and Cyclin E genes. Molecular docking analysis displayed the interaction between BDCe fraction with p53 (−151.13 kcal/mol) and CDK1 (−133.96 kcal/mol). The results of the present work suggest that the BDCe fraction has chemopreventive properties against osteosarcoma (MG-63) cells through the induction of cell cycle arrest and apoptosis via Akt/NF-κB/p53 pathways. This study contributes to the understanding of the utilization of BDCe fraction in osteosarcoma treatment.
Investigation of the Formation of Squalene Oligomers Exposed to Ultraviolet Light and Changes in the Exposed Squalene as a Potential Skin Model
Authors: Zecchini Matteo , Lucas Robert A. , Robertson Cameron , Coban Tomris , Thatti Ravtej , Le Gresley Adam
Published: May 2022

UV-induced oligomerisation of squalene was undertaken to indicate the potential for squalene-containing biological systems to exhibit rheology changes. DOSY NMR enabled the determination of the molecular weight (MW) range using Stokes–Einstein Gierer–Wirtz Estimation (SEGWE Calculator, University of Manchester). This approach was validated by Atmospheric Solids Analysis Probe Time of Flight Mass Spectrometry (ASAP TOF MS). To demonstrate the principle, both benzoyl peroxide and AIBN were used, separately, to initiate rapid, radical oligomerisation. Subsequent experiments in the absence of initiators compared the influence of UV wavelength and time on the resulting oligomer formation. To further model a relevant biological implication of this potentially chaotic UV oligomerisation, both saturated and unsaturated free fatty acids were added to squalene and exposed to UV at 285 nm and 300 nm to determine if cross oligomerisation could be observed. This representation of sebum evidenced the formation of a distribution of higher MW oligomers. Internal viscosity was normalised using the DMSO solvent, but to confirm that changes in rheology did not affect diffusion, a final experiment where fresh squalene was added to our oligomer mixture, representative of sebum, showed that unchanged squalene possessed the anticipated monomeric diffusion coefficient and hence MW. This work suggests, at least qualitatively, that UV-induced squalene oligomerisation can occur over time and that this may have a role in the behaviour of squalene on the skin.
In Vitro Antithrombotic, Hematological Toxicity, and Inhibitor Studies of Protocatechuic, Isovanillic, and p-Hydroxybenzoic Acids from Maclura tricuspidata (Carr.) Bur
Authors: Choi Jun-Hui , Kim Seung
Published: May 2022

In blood coagulation, circulating platelets and coagulation factors are crucial for the primary process because thrombi are generated by fibrin clotting with fibrinogen, thrombin, FXIIIa, and platelet activation. Therefore, strategies to reduce the activity of key coagulation factors, or interfere with their functions and delay the activation of platelets can be used as important tools to suppress excessive blood clot formation and platelet hyperactivation. This study examined the antithrombotic activity and hematological toxicity of PA, IVA, and 4-HA isolated from M. tricuspidata (Carr.) Bur in several in vitro experiments and inhibitor assays. We found that PA, IVA, and 4-HA attenuated the formation of fibrin polymers/clots and degraded the blood clots. These compounds inhibited the activities of procoagulant proteases and fibrinoligase, and prolonged the coagulation time. There was a significant reduction in platelet function and ATP or serotonin levels in thrombin-activated platelets. An inhibitor study showed that PA exhibited a mixed inhibition type for thrombin, an uncompetitive inhibition type for FXa, and a non-competitive inhibition type for FXIIIa and IVA, while 4-HA exhibited an uncompetitive inhibition type for thrombin and non-competitive inhibition type for FXa and FXIIIa. These three compounds (up to 50 μg/mL) were not toxic to blood cells.
Nanosafety: An Evolving Concept to Bring the Safest Possible Nanomaterials to Society and Environment
Authors: Lebre Filipa , Chatterjee Nivedita , Costa Samantha , Fernández-de-Gortari Eli , Lopes Carla , Meneses João , Ortiz Luís , Ribeiro Ana R. , Vilas-Boas Vânia , Alfaro-Moreno Ernesto
Published: May 2022

The use of nanomaterials has been increasing in recent times, and they are widely used in industries such as cosmetics, drugs, food, water treatment, and agriculture. The rapid development of new nanomaterials demands a set of approaches to evaluate the potential toxicity and risks related to them. In this regard, nanosafety has been using and adapting already existing methods (toxicological approach), but the unique characteristics of nanomaterials demand new approaches (nanotoxicology) to fully understand the potential toxicity, immunotoxicity, and (epi)genotoxicity. In addition, new technologies, such as organs-on-chips and sophisticated sensors, are under development and/or adaptation. All the information generated is used to develop new in silico approaches trying to predict the potential effects of newly developed materials. The overall evaluation of nanomaterials from their production to their final disposal chain is completed using the life cycle assessment (LCA), which is becoming an important element of nanosafety considering sustainability and environmental impact. In this review, we give an overview of all these elements of nanosafety.
Accelerated Formation of 2D Ruddlesden—Popper Perovskite Thin Films by Lewis Bases for High Efficiency Solar Cell Applications
Authors: Gowdru Swathi M. , Lin Jou-Chun , Wang Szu-Tan , Chen Yi-Chia , Wu Kuan-Chang , Jiang Cheng-Nan , Chen Yu-Dian , Li Shao-Sian , Chang Yuan Jay , Wang Di-Yan
Published: May 2022

Various types of 2D organic–inorganic perovskite solar cells have been developed and investigated due to better electron transport behavior and environmental stability. Controlling the formation of phases in the 2D perovskite films has been considered to play an important role in influencing the stability of perovskite materials and their performance in optoelectronic applications. In this work, Lewis base urea was used as an effective additive for the formation of 2D Ruddlesden—Popper (RP) perovskite (BA)2(MA)n−1PbnI3n+1 thin film with mixed phases (n = 2~4). The detailed structural morphology of the 2D perovskite thin film was investigated by in situ X-ray diffraction (XRD), grazing-incidence small-angle X-ray scattering (GISAXS) and photoluminescence mapping. The results indicated that the urea additive could facilitate the formation of 2D RP perovskite thin film with larger grain size and high crystallinity. The 2D RP perovskite thin films for solar cells exhibited a power conversion efficiency (PCE) of 7.9% under AM 1.5G illumination at 100 mW/cm2.
Influence of Temperature Parameters on Morphological Characteristics of Plasma Deposited Zinc Oxide Nanoparticles
Authors: Sazanova Tatyana Sergeevna , Mochalov Leonid Alexandrovich , Logunov Alexander Alexandrovich , Kudryashov Mikhail Alexandrovich , Fukina Diana Georgievna , Vshivtsev Maksim Anatolevich , Prokhorov Igor Olegovich , Yunin Pavel Andreevich , Smorodin Kirill Alexandrovich , Atlaskin Artem Anatolevich , Vorotyntsev Andrey Vladimirovich
Published: May 2022

Zinc oxide nanoparticles were obtained by plasma-enhanced chemical vapor deposition (PECVD) under optical emission spectrometry control from elemental high-purity zinc in a zinc–oxygen–hydrogen plasma-forming gas mixture with varying deposition parameters: a zinc source temperature, and a reactor temperature in a deposition zone. The size and morphological parameters of the zinc oxide nanopowders, structural properties, and homogeneity were studied. The study was carried out with use of methods such as scanning electron microscopy, X-ray structural analysis, and Raman spectroscopy, as well as statistical methods for processing and analyzing experimental data. It was established that to obtain zinc oxide nanoparticles with a given size and morphological characteristics using PECVD, it is necessary (1) to increase the zinc source temperature to synthesize more elongated structures in one direction (and vice versa), and (2) to decrease the reactor temperature in the deposition zone to reduce the transverse size of the deposited structures (and vice versa), taking into account that at relatively low temperatures instead of powder structures, films can form.
Nanocomposite Film Development Based on Chitosan/Polyvinyl Alcohol Using ZnO@Montmorillonite and ZnO@Halloysite Hybrid Nanostructures for Active Food Packaging Applications
Authors: Giannakas Aris E. , Salmas Constantinos E. , Moschovas Dimitrios , Baikousi Maria , Kollia Eleni , Tsigkou Vasiliki , Karakassides Anastasios , Leontiou Areti , Kehayias George , Avgeropoulos Apostolos , Proestos Charalampos
Published: May 2022

The global turn from the linear to the circular economy imposes changes in common activities such as food packaging. The use of biodegradable materials such as polyvinyl alcohol, natural raw materials such as clays, and food byproducts such as chitosan to develop novel food packaging films attracts the interest of industrial and institutional research centers. In this study, novel hybrid nanostructures were synthesized via the growth of zinc oxide nanorods on the surface of two nanoclays. The obtained nanostructures were incorporated with chitosan/polyvinyl alcohol composite either as nanoreinforcement or as an active agent to develop packaging films. The developed films were characterized via XRD, FTIR, mechanical, water-vapor diffusion, water sorption, and oxygen permeability measurements. Antimicrobial activity measurements were carried out against four different pathogen microorganisms. XRD indicated the formation of an intercalated nanocomposite structure for both types of nanoclays. Furthermore, improved tensile, water/oxygen barrier, and antimicrobial properties were recorded for all films compared to the pure chitosan/polyvinyl alcohol film. Overall, the results indicated that the use of the bio-based developed films led to an extension of food shelf life and could be used as novel active food packaging materials. Among them, the most promising film was the 6% wt. ZnO@halloysite.
Nanomaterials with Excellent Adsorption Characteristics for Sample Pretreatment: A Review
Authors: Liu Wen-Xin , Song Shuang , Ye Ming-Li , Zhu Yan , Zhao Yong-Gang , Lu Yin
Published: May 2022

Sample pretreatment in analytical chemistry is critical, and the selection of materials for sample pretreatment is a key factor for high enrichment ability, good practicality, and satisfactory recoveries. In this review, the recent progress of the sample pretreatment methods based on various nanomaterials (i.e., carbon nanomaterials, porous nanomaterials, and magnetic nanomaterials) with excellent adsorption efficiency, selectivity, and reproducibility, as well as their applications, are presented. Due to the unique nanoscale physical–chemical properties, magnetic nanomaterials have been used for the extraction of target analytes by easy-to-handle magnetic separation under a magnetic field, which can avoid cumbersome centrifugation and filtration steps. This review also highlights the preparation process and reaction mechanism of nanomaterials used in the sample pretreatment methods, which have been applied for the extraction organophosphorus pesticides, fluoroquinolone antibiotics, phenoxy carboxylic acids, tetracycline antibiotics, hazardous metal ions, and rosmarinic acid. In addition, the remaining challenges and future directions for nanomaterials used as sorbents in the sample pretreatment are discussed.
Repurposing N-Doped Grape Marc for the Fabrication of Supercapacitors with Theoretical and Machine Learning Models
Authors: Wickramaarachchi Kethaki , Minakshi Manickam , Aravindh S. Assa , Dabare Rukshima , Gao Xiangpeng , Jiang Zhong-Tao , Wong Kok Wai
Published: May 2022

Porous carbon derived from grape marc (GM) was synthesized via carbonization and chemical activation processes. Extrinsic nitrogen (N)-dopant in GM, activated by KOH, could render its potential use in supercapacitors effective. The effects of chemical activators such as potassium hydroxide (KOH) and zinc chloride (ZnCl2) were studied to compare their activating power toward the development of pore-forming mechanisms in a carbon electrode, making them beneficial for energy storage. GM carbon impregnated with KOH for activation (KAC), along with urea as the N-dopant (KACurea), exhibited better morphology, hierarchical pore structure, and larger surface area (1356 m2 g−1) than the GM carbon activated by ZnCl2 (ZnAC). Moreover, density functional theory (DFT) investigations showed that the presence of N-dopant on a graphite surface enhances the chemisorption of O adsorbates due to the enhanced charge-transfer mechanism. KACurea was tested in three aqueous electrolytes with different ions (LiOH, NaOH, and NaClO4), which delivered higher specific capacitance, with the NaOH electrolyte exhibiting 139 F g−1 at a 2 mA current rate. The NaOH with the alkaline cation Na+ offered the best capacitance among the electrolytes studied. A multilayer perceptron (MLP) model was employed to describe the effects of synthesis conditions and physicochemical and electrochemical parameters to predict the capacitance and power outputs. The proposed MLP showed higher accuracy, with an R2 of 0.98 for capacitance prediction.
An In Vitro Evaluation of Selenium Nanoparticles on Osteoblastic Differentiation and Antimicrobial Properties against Porphyromonas gingivalis
Authors: Hou Jason , Tamura Yukihiko , Lu Hsin-Ying , Takahashi Yuta , Kasugai Shohei , Nakata Hidemi , Kuroda Shinji
Published: May 2022

Despite numerous treatment methods, there is no gold standard for the treatment of peri-implantitis—an infectious peri-implant disease. Here, we examined selenium nanoparticles (SeNPs) at a wide range of concentrations to investigate their cytotoxicity, regulation of osteoblastic differentiation, and assessed the antibacterial effect against Porphyromonas gingivalis. SeNPs (mean size: 70 nm; shape: near-spherical; concentration: 0–2048 ppm) were tested against the MC3T3-E1 osteoblast precursor cell line and P. gingivalis red complex pathogen. Reverse transcriptase quantitative polymerase chain reaction (RT-qPCR) analysis was used to evaluate the bone morphogenetic protein 2 (BMP-2) signaling pathway. SeNPs at concentrations of 2–16 ppm showed no obvious cytotoxicity and promoted good mineralization and calcification. SeNPs at concentrations 64 ppm and below influenced gene expression promoting osteoblastic differentiation, whereas at high concentrations inhibited the expression of Runt-related transcription factor 2 (Runx2). The growth of P. gingivalis was significantly inhibited at SeNP concentrations of more than 4 ppm. SeNPs at low concentrations promoted osteoblastic differentiation while strongly inhibiting peri-implantitis pathogen growth. This study represents one of the few in vitro assessments of SeNPs against a red complex pathogen and the regulatory effect on osteoblastic differentiation. The findings demonstrate SeNPs could potentially be used for future application on implant coating.
Recent Advances in Antimicrobial Nano-Drug Delivery Systems
Authors: Zong Tong-Xin , Silveira Ariane Pandolfo , Morais José Athayde Vasconcelos , Sampaio Marina Carvalho , Muehlmann Luis Alexandre , Zhang Juan , Jiang Cheng-Shi , Liu Shan-Kui
Published: May 2022

Infectious diseases are among the major health issues of the 21st century. The substantial use of antibiotics over the years has contributed to the dissemination of multidrug resistant bacteria. According to a recent report by the World Health Organization, antibacterial (ATB) drug resistance has been one of the biggest challenges, as well as the development of effective long-term ATBs. Since pathogens quickly adapt and evolve through several strategies, regular ATBs usually may result in temporary or noneffective treatments. Therefore, the demand for new therapies methods, such as nano-drug delivery systems (NDDS), has aroused huge interest due to its potentialities to improve the drug bioavailability and targeting efficiency, including liposomes, nanoemulsions, solid lipid nanoparticles, polymeric nanoparticles, metal nanoparticles, and others. Given the relevance of this subject, this review aims to summarize the progress of recent research in antibacterial therapeutic drugs supported by nanobiotechnological tools.
Porous Hexagonal Boron Nitride as Solid-Phase Microextraction Coating Material for Extraction and Preconcentration of Polycyclic Aromatic Hydrocarbons from Soil Sample
Authors: Li Dan , Li Mengyuan , Zhu Shiping , Gao Yanmei , Mu Mengyao , Zhang Ning , Wang Youmei , Lu Minghua
Published: May 2022

Sample pretreatment plays important role in the analysis and detection of trace pollutants in complex matrices, such as environmental and biological samples. The adsorption materials of sample pretreatment receive considerable attention, which has a significant effect on the sensitivity and selectivity of the analytical method. In this work, the porous hexagonal boron nitride (h-BN) was utilized as a coating material of solid-phase microextraction (SPME) to extract and preconcentrate polycyclic aromatic hydrocarbons (PAHs) prior to separation and detection with GC-FID. Attributed to the multiple interactions including hydrophobicity, hydrogen bonding and strong π–π interaction, the h-BN coating showed excellent extraction performance for PAHs. Under the optimal conditions, the method showed the linear relationship in the range of 0.1–50 ng mL−1 for acenaphthene, 0.05–50 ng mL−1 for pyrene, and 0.02–50 ng mL−1 for fluorene, phenanthrene and anthracene with a correlation coefficient (R2) not lower than 0.9910. The enrichment factors were achieved between 1526 and 4398 for PAHs with h-BN as SPME fiber coating. The detection limits were obtained in the range of 0.004–0.033 ng mL−1, which corresponds to 0.08–0.66 ng g−1 for soil. The method was successfully applied to analysis of real soil samples. The recoveries were determined between 78.0 and 120.0% for two soil samples. The results showed that h-BN material provided a promising alternative in sample pretreatment and analysis.
Psychometric Properties of the Caring Behaviors Inventory-16 in Ethiopia
Authors: Ferede Abebaw Jember , Erlandsson Kerstin , Gezie Lemma Derseh , Geda Biftu , Wettergren Lena
Published: May 2022

Background: The Caring Behaviors Inventory-16 (CBI-16) is a comprehensive instrument measuring caring behaviors as experienced by patients. The study aimed to translate, culturally adapt and evaluate the psychometric properties of the CBI-16 among adult patients who speak the Amharic language. Methods: The measure was completed by 304 hospitalized patients. Construct validity was evaluated via exploratory factor analysis (EFA), confirmatory factor analysis (CFA), and contrasted groups’ validity. Total CBI-16 scores were compared between groups that differed in self-rated satisfaction with care (Patient Satisfaction Instrument) to examine the contrasted groups’ validity. Reliability was assessed using internal consistency (Cronbach’s alpha). Results: The EFA suggested a four-factor model accounting for 66.1% of the total variance. The items loaded onto the subscales were similar to the CBI-24. The CFA supported the four-factor model with acceptable fit indices: normed Chi-square value 2.65 (X2 = 259.60, df = 98), SRMR = 0.06, and RMSEA = 0.07, CFI = 0.88 and TLI = 0.86. The contrasted groups’ validity was supported by significantly higher CBI-16 scores reported by patients more satisfied with their care (t = 3.66, p < 0.001). The reliability of the instrument was satisfactory (Cronbach’s alpha = 0.83). Conclusions: The Amharic version of the CBI-16 displayed a four-factor solution and was shown to be a valid and reliable instrument for the assessment of the perceptions of caring behaviors in Ethiopia.
Talus Fractures in Snowboarders: A Case Series
Authors: Luger Nancy M. , Pascual-Garrido Cecilia , Haus Andrew , Swanson Britta L. , Swanson Kyle E.
Published: May 2022

Fractures of the lateral process of the talus have been associated with snowboarding, so much so that they have earned the nickname “snowboarder’s ankle”; these typically occur with relatively low-energy injuries when compared with fractures of the talar head, neck, and body. We have observed that snowboarding portends a higher risk of talus fractures when compared with skiing and can include higher energy injury patterns. This study describes a series of talar head, neck, and body fractures caused by snowboarding, their treatment, and outcomes. A retrospective chart review was performed on all surgical cases collected from 2007 to 2012 to include talar head, neck, body, or lateral process fractures sustained while snowboarding. Radiographs were reviewed and the fractures were characterized. Questionnaires, including the Foot and Ankle Disability Index (FADI), were mailed to the patients. The pre-operative reports, surgical treatments, and outcomes were evaluated. Nine patients were identified with fractures of the talus caused by a snowboarding injury. One patient sustained an isolated talar head fracture, three sustained isolated talar neck fractures, one patient had an isolated talar body fracture, and two patients had isolated lateral process fractures. Two patients had a combination of talar injuries. At 2.5 years mean follow-up (range 6 months to 5 years), none of the patients developed avascular necrosis, nonunion/malunion, or required subsequent surgery. FADI scores indicated good to excellent results post-operatively.