bluuebunny/crossref_metadata_2025 huggingface dataset:
Integration of Mn-ZnFe2O4 with S-g-C3N4 for Boosting Spatial Charge Generation and Separation as an Efficient Photocatalyst
Authors: Javed Mohsin , Khalid Waleed Bin , Iqbal Shahid , Qamar Muhammad Azam , Alrbyawi Hamad , Awwad Nasser S. , Ibrahium Hala A. , Al-Anazy Murefah Mana , Elkaeed Eslam B. , Pashameah Rami Adel , Alzahrani Eman , Farouk Abd-ElAziem
Published: October 2022

The disposal of dyes and organic matter into water bodies has become a significant source of pollution, posing health risks to humans worldwide. With rising water demands and dwindling supplies, these harmful compounds must be isolated from wastewater and kept out of the aquatic environment. In the research presented here, hydrothermal synthesis of manganese-doped zinc ferrites’ (Mn-ZnFe2O4) nanoparticles (NPs) and their nanocomposites (NCs) with sulfur-doped graphitic carbon nitride (Mn-ZnFe2O4/S-g-C3N4) are described. The samples’ morphological, structural, and bonding features were investigated using SEM, XRD, and FTIR techniques. A two-phase photocatalytic degradation study of (0.5, 1, 3, 5, 7, 9, and 11 wt.%) Mn-doped ZnFe2O4 NPs and Mn-ZnFe2O4/(10, 30, 50, 60, and 70 wt.%) S-g-C3N4 NCs against MB was carried out to find the photocatalyst with maximum efficiency. The 9% Mn-ZnFe2O4 NPs and Mn-ZnFe2O4/50% S-g-C3N4 NCs exhibited the best photocatalyst efficiency in phase one and phased two, respectively. The enhanced photocatalytic activity of the Mn-ZnFe2O4/50% S-g-C3N4 NCs could be attributed to synergistic interactions at the Mn-ZnFe2O4/50% S-g-C3N4 NCs interface that resulted in a more effective transfer and separation of photo-induced charges. Therefore, it is efficient, affordable, and ecologically secure to modify ZnFe2O4 by doping with Mn and homogenizing with S-g-C3N4. As a result, our current research suggests that the synthetic ternary hybrid Mn-ZnFe2O4/50% S-g-C3N4 NCs may be an effective photocatalytic system for degrading organic pollutants from wastewater.
Chiral Bis(tetrathiafulvalene)-1,2-cyclohexane-diamides
Authors: Bogdan Alexandra , Moraru Ionuț-Tudor , Auban-Senzier Pascale , Grosu Ion , Pop Flavia , Avarvari Narcis
Published: October 2022

Chiral bis(TTF) diamides have been obtained in good yields (54–74%) from 1,2-cyclohexane-diamine and the corresponding TTF acyl chlorides. The (R,R)-1 and (S,S)-1 enantiomers have been characterized by circular dichroism and the racemic form by single-crystal X-ray diffraction. The neutral racemic bis(TTF)-diamide shows the formation of a pincer-like framework in the solid state, thanks to the intramolecular S···S interactions. The chemical oxidation in a solution using FeCl3 provides stable oxidized species, while the electrocrystallization experiments provided radical cation salts. In particular, single-crystal resistivity measurements on the racemic donor with AsF6− as a counterion demonstrate semiconductor behavior in this material. The DFT and TD-DFT calculations support the structural and chiroptical features of these new chiral TTF donors.
Development of a Highly Selective and Sensitive Fluorescent Probe for Imaging RNA Dynamics in Live Cells
Authors: Fang Lan , Shao Wen , Zeng Shu-Tang , Tang Gui-Xue , Yan Jia-Tong , Chen Shuo-Bin , Huang Zhi-Shu , Tan Jia-Heng , Chen Xiu-Cai
Published: October 2022

RNA imaging is of great importance for understanding its complex spatiotemporal dynamics and cellular functions. Considerable effort has been devoted to the development of small-molecule fluorescent probes for RNA imaging. However, most of the reported studies have mainly focused on improving the photostability, permeability, long emission wavelength, and compatibility with live-cell imaging of RNA probes. Less attention has been paid to the selectivity and detection limit of this class of probes. Highly selective and sensitive RNA probes are still rarely available. In this study, a new set of styryl probes were designed and synthesized, with the aim of upgrading the detection limit and maintaining the selectivity of a lead probe QUID−1 for RNA. Among these newly synthesized compounds, QUID−2 was the most promising candidate. The limit of detection (LOD) value of QUID−2 for the RNA was up to 1.8 ng/mL in solution. This property was significantly improved in comparison with that of QUID−1. Further spectroscopy and cell imaging studies demonstrated the advantages of QUID−2 over a commercially available RNA staining probe, SYTO RNASelect, for highly selective and sensitive RNA imaging. In addition, QUID−2 exhibited excellent photostability and low cytotoxicity. Using QUID−2, the global dynamics of RNA were revealed in live cells. More importantly, QUID−2 was found to be potentially applicable for detecting RNA granules in live cells. Collectively, our work provides an ideal probe for RNA imaging. We anticipate that this powerful tool may create new opportunities to investigate the underlying roles of RNA and RNA granules in live cells.
Natural Compounds in the Battle against Microorganisms—Linalool
Authors: Mączka Wanda , Duda-Madej Anna , Grabarczyk Małgorzata , Wińska Katarzyna
Published: October 2022

The purpose of this article is to present recent studies on the antimicrobial properties of linalool, the mechanism of action on cells and detoxification processes. The current trend of employing compounds present in essential oils to support antibiotic therapy is becoming increasingly popular. Naturally occurring monoterpene constituents of essential oils are undergoing detailed studies to understand their detailed effects on the human body, both independently and in doses correlated with currently used pharmaceuticals. One such compound is linalool, which is commonly found in many herbs and is used to flavor black tea. This compound is an excellent fragrance additive for cosmetics, enhancing the preservative effect of the formulations used in them or acting as an anti-inflammatory on mild skin lesions. Previous studies have shown that it is extremely important due to its broad spectrum of biological activities, i.e., antioxidant, anti-inflammatory, anticancer, cardioprotective and antimicrobial. Among opportunistic hospital strains, it is most active against Gram-negative bacteria. The mechanism of action of linalool against microorganisms is still under intensive investigation. One of the key aspects of linalool research is biotransformation, through which its susceptibility to detoxification processes is determined.
Effect of Culture Conditions on Fatty Acid Profiles of Bacteria and Lipopolysaccharides of the Genus Pseudomonas—GC-MS Analysis on Ionic Liquid-Based Column
Authors: Mező Emerencia , Hartmann-Balogh Fruzsina , Madarászné Horváth Ibolya , Bufa Anita , Marosvölgyi Tamás , Kocsis Béla , Makszin Lilla
Published: October 2022

The profiling of bacterial fatty acids is a well-established technique in identifying and classifying bacteria. Cultivation conditions may affect the biosynthesis, thereby, changing the fatty acid profile in bacteria. The effect of the culture conditions on the fatty acid components of Pseudomonas aeruginosa PAO1, Pseudomonas aeruginosa ATCC 27853, Pseudomonas aeruginosa polyresistant and Pseudomonas putida all are aligned to the genus Pseudomonas. The fatty acids in the lipopolysaccharides of Pseudomonas aeruginosa PAO1 were also examined. The effects of the cultivation conditions were followed by using agar and blood agar media at the characteristic temperatures, 25 °C, 37 °C and 42 °C, respectively, and an analysis was made during the 1st, 3rd and 5th day following inoculation. In addition to quantitative differences, we also experienced qualitative differences in the fatty acid profiles which detect newly appearing fatty acids, due to changes in environmental factors. The application of ionic liquid-based column unveils new possibilities for the analyses of fatty acids in GC-MS experiments for bacterial fatty acid profiling. The validation results (response linearity, limit of detection, limit of quantification, system suitability, intraday and interday repeatability and accuracy) show the high separation efficiency of the ionic liquid-based column in the analyses.
Advances in Thermoelectric Composites Consisting of Conductive Polymers and Fillers with Different Architectures
Authors: Huo Bingchen , Guo Cun-Yue
Published: October 2022

Stretchable wireless power is in increasingly high demand in fields such as smart devices, flexible robots, and electronic skins. Thermoelectric devices are able to convert heat into electricity due to the Seebeck effect, making them promising candidates for wearable electronics. Therefore, high-performance conductive polymer-based composites are urgently required for flexible wearable thermoelectric devices for the utilization of low-grade thermal energy. In this review, mechanisms and optimization strategies for polymer-based thermoelectric composites containing fillers of different architectures will be introduced, and recent advances in the development of such thermoelectric composites containing 0- to 3-dimensional filler components will be presented and outlooked.
Potential Therapeutic Approach of Melatonin against Omicron and Some Other Variants of SARS-CoV-2
Authors: Begum Rahima , Mamun-Or-Rashid A. N. M. , Lucy Tanzima Tarannum , Pramanik Md. Kamruzzaman , Sil Bijon Kumar , Mukerjee Nobendu , Tagde Priti , Yagi Masayuki , Yonei Yoshikazu
Published: October 2022

The Omicron variant (B.529) of COVID-19 caused disease outbreaks worldwide because of its contagious and diverse mutations. To reduce these outbreaks, therapeutic drugs and adjuvant vaccines have been applied for the treatment of the disease. However, these drugs have not shown high efficacy in reducing COVID-19 severity, and even antiviral drugs have not shown to be effective. Researchers thus continue to search for an effective adjuvant therapy with a combination of drugs or vaccines to treat COVID-19 disease. We were motivated to consider melatonin as a defensive agent against SARS-CoV-2 because of its various unique properties. Over 200 scientific publications have shown the significant effects of melatonin in treating diseases, with strong antioxidant, anti-inflammatory, and immunomodulatory effects. Melatonin has a high safety profile, but it needs further clinical trials and experiments for use as a therapeutic agent against the Omicron variant of COVID-19. It might immediately be able to prevent the development of severe symptoms caused by the coronavirus and can reduce the severity of the infection by improving immunity.
Synthesis, Conformational Analysis and Evaluation of the 2-aryl-4-(4-bromo-2-hydroxyphenyl)benzo[1,5]thiazepines as Potential α-Glucosidase and/or α-Amylase Inhibitors
Authors: Nkoana Jackson K. , Maluleka Marole M. , Mphahlele Malose J. , Mampa Richard M. , Choong Yee Siew
Published: October 2022

The ambident electrophilic character of the 5-bromo-2-hydroxychalcones and the binucleophilic nature of 2-aminothiophenol were exploited to construct the 2-aryl-4-(4-bromo-2-hydroxyphenyl)benzo[1,5]thiazepines. The structures and conformation of these 2-aryl-4-(4-bromo-2-hydroxyphenyl)benzo[1,5]thiazepines were established with the use of spectroscopic techniques complemented with a single crystal X-ray diffraction method. Both 1H-NMR and IR spectroscopic techniques confirmed participation of the hydroxyl group in the intramolecular hydrogen-bonding interaction with a nitrogen atom. SC-XRD confirmed the presence of a six-membered intramolecularly hydrogen-bonded pseudo-aromatic ring, which was corroborated by the DFT method on 2b as a representative example in the gas phase. Compounds 2a (Ar = -C6H5), 2c (Ar = -C6H4(4-Cl)) and 2f (Ar = -C6H4(4-CH(CH3)2) exhibited increased inhibitory activity against α-glucosidase compared to acarbose (IC50 = 7.56 ± 0.42 µM), with IC50 values of 6.70 ± 0.15 µM, 2.69 ± 0.27 µM and 6.54 ± 0.11 µM, respectively. Compound 2f, which exhibited increased activity against α-glucosidase, also exhibited a significant inhibitory effect against α-amylase (IC50 = 9.71 ± 0.50 µM). The results of some computational approaches on aspects such as noncovalent interactions, calculated binding energies for α-glucosidase and α-amylase, ADME (absorption, distribution, metabolism and excretion) and bioavailability properties, gastrointestinal absorption and blood–brain barrier permeability are also presented.
High-Throughput Preparation and Machine Learning Screening of a Blue-Phase Liquid Crystal Based on Inkjet Printing
Authors: He Wan-Li , Cui Yong-Feng , Luo Shi-Guang , Hu Wen-Tuo , Wang Kai-Nan , Yang Zhou , Cao Hui , Wang Dong
Published: October 2022

Blue-phase liquid crystal (BPLC) is considered as the next-generation liquid crystal display material, but its practical application is seriously affected by a narrow temperature range and a long research period. In this paper, we used inkjet printing technology to prepare BPLC materials with high throughput, and try to use machine vision technology to test BPLC with high throughput. The “standard curve method” for establishing each printing channel and the “vector matching method” for searching the chromaticity value of the minimum distance were proposed to improve the accuracy of inkjet printing BPLC materials. For a large number of sample-phase images, we propose a machine learning method to identify the liquid crystal phase. In this paper, for the first time, the high-throughput preparation and high-throughput detection of 1080 BPLC samples with five common components by a comprehensive experimental method has been successfully realized. The results are helpful to improve the research efficiency of blue-phase materials and provide a theoretical basis and practical guidance for rapid screening of multi-component BPLC materials.
Multiple-Gene Regulation for Enhanced Antitumor Efficacy with Branch-PCR-Assembled TP53 and MYC Gene Nanovector
Authors: Cheng Longhuai , Lu Liqing , Chen Ziyi , Ma Dejun , Xi Zhen
Published: October 2022

Multiple proteins are involved in network regulation through the crosstalk of different signaling pathways in cancers. Here, we propose a novel strategy of genome therapy with branch-PCR-assembled gene nanovectors to perform network-based gene regulation at multiple levels for cancer therapy. To validate network-based multiplex-gene regulation for genome therapy, we chose to simultaneously target one tumor suppressor gene (TP53) and one oncogene (MYC) in two different signaling pathways. The results showed that, compared to gene nanovectors targeting single genes (NP-TP53 and NP-shMYC), branch-PCR-assembled gene nanovectors simultaneously expressing p53 proteins and MYC shRNA arrays (NP-TP53-shMYC) showed enhanced antitumor efficacy in both MDA-MB-231 cancer cells and an MDA-MB-231-tumor-bearing mouse model. These findings indicate the feasibility and effectiveness of genome therapy in cancer therapy.
UHPLC-Q-Exactive Orbitrap MS/MS-Based Untargeted Metabolomics and Molecular Networking Reveal the Differential Chemical Constituents of the Bulbs and Flowers of Fritillaria thunbergii
Authors: Li Xin , Wang Pan , Tong Yingpeng , Liu Jie , Shu Guowei
Published: October 2022

Both the bulbs and flowers of Fritillaria thunbergii Miq. (BFT and FFT) are widely applied as expectorants and antitussives in traditional Chinese medicine, but few studies have been conducted to compare the chemical compositions of these plant parts. In this study, 50% methanol extracts of BFT and FFT were analyzed via UHPLC-Q-Exactive Orbitrap MS/MS, and the feasibility of using non-targeted UHPLC-HRMS metabolomics and molecular networking to address the authentication of bulb and flower samples was evaluated. Principal component analysis (PCA), Orthogonal Partial Least Squares-Discriminant Analysis (OPLS-DA), and heat map analysis showed there were dissimilar metabolites in BFT and FFT. As a result, 252 and 107 peaks in positive ion mode and negative mode, respectively, were considered to represent significant difference variables between BFT and FFT. Then, MS/MS-based molecular networking of BFT and FFT was constructed to perform an in-depth characterization of the peaks using different variables. A total of 31 alkaloids with significant differences were annotated in this paper, including seven cis-D/E-vevanine without C20-OH and one trans-D/E-cevanine with C20-OH, thirteen trans-D/E-cevanine without C20-OH, five cevanine N-oxide, and five veratramine. Among the 31 alkaloids, eight alkaloids had higher FFT than BFT contents, while all the flavonoids identified in our work had greater FFT than BFT contents. The influence of different ingredients on the pharmacological activities of BFT and FFT should be investigated in future studies.
Elaboration, Characterization and Thermal Decomposition Kinetics of New Nanoenergetic Composite Based on Hydrazine 3-Nitro-1,2,4-triazol-5-one and Nanostructured Cellulose Nitrate
Authors: Tarchoun Ahmed Fouzi , Trache Djalal , Abdelaziz Amir , Harrat Abdelatif , Boukecha Walid Oussama , Hamouche Mohamed Abderrahim , Boukeciat Hani , Dourari Mohammed
Published: October 2022

This research aims to develop new high-energy dense ordinary- and nano-energetic composites based on hydrazine 3-nitro-1,2,4-triazol-5-one (HNTO) and nitrated cellulose and nanostructured nitrocellulose (NC and NMCC). The elaborated energetic formulations (HNTO/NC and HNTO/NMCC) were fully characterized in terms of their chemical compatibility, morphology, thermal stability, and energetic performance. The experimental findings implied that the designed HNTO/NC and HNTO/NMCC formulations have good compatibilities with attractive characteristics such as density greater than 1.780 g/cm3 and impact sensitivity around 6 J. Furthermore, theoretical performance calculations (EXPLO5 V6.04) displayed that the optimal composition of the as-prepared energetic composites yielded excellent specific impulses and detonation velocities, which increased from 205.7 s and 7908 m/s for HNTO/NC to 209.6 s and 8064 m/s for HNTO/NMCC. Moreover, deep insight on the multi-step kinetic behaviors of the as-prepared formulations was provided based on the measured DSC data combined with isoconversional kinetic methods. It is revealed that both energetic composites undergo three consecutive exothermic events with satisfactory activation energies in the range of 139–166 kJ/mol for HNTO/NC and 119–134 kJ/mol for HNTO/NMCC. Overall, this research displayed that the new developed nanoenergetic composite based on nitrated cellulose nanostructure could serve as a promising candidate for practical applications in solid rocket propellants and composite explosives.
AgCu NP Formation by the Ag NP Catalysis of Cu Ions at Room Temperature and Their Antibacterial Efficacy: A Kinetic Study
Authors: Tao Yujie , Zhou Fang , Wang Kaixin , Yang Dequan , Sacher Edward
Published: October 2022

Although a facile route to prepare AgCu nanoalloys (NAs) with enhanced antibacterial efficacy using Ag NP catalysis of Cu ions at elevated temperatures was previously developed, its detailed reaction process is still unclear due to the fast reaction process at higher temperatures. This work found that AgCu NAs can also be synthesized by the same process but at room temperature. AgCu NAs formation kinetics have been studied using UV–Visible spectra and Transmission Electron Microscopy (TEM), where formation includes Cu2+ deposition onto the Ag NP surface and Ag+ release, reduction, and agglomeration to form new Ag NPs; this is followed by a redistribution of the NA components and coalescence to form larger AgCu NPs. It is found that SPR absorption is linear with time early in the reaction, as expected for both pseudo-first-order (PFO) and pseudo-second-order (PSO) kinetics; neither model is followed subsequently due to contributions from newly formed Ag NPs and AgCu NAs. The antibacterial efficacy of the AgCu NAs thus formed was estimated, with a continuous increase over the whole alloying process, demonstrating the correlation of antibacterial efficacy with the extent of AgCu NA formation and Ag+ release.
Exploration of Antimicrobial Ingredients in Psoralea corylifolia L. Seed and Related Mechanism against Methicillin-Resistant Staphylococcus aureus
Authors: Sun Liqiong , Tang Zhijuan , Wang Minxin , Shi Jun , Lin Yajuan , Sun Tiefeng , Zou Zhilu , Weng Zebin
Published: October 2022

With the abuse of antibiotics, bacterial antibiotic resistance is becoming a major public healthcare issue. Natural plants, especially traditional Chinese herbal medicines, which have antibacterial activity, are important sources for discovering potential bacteriostatic agents. This study aimed to develop a fast and reliable method for screening out antimicrobial compounds targeting the MRSA membrane from Psoralea corylifolia Linn. seed. A UPLC-MS/MS method was applied to identify the prenylated flavonoids in major fractions from the extracts of Psoralea corylifolia Linn. seed. The broth microdilution method was used to determine the minimum inhibitory concentrations (MICs) of different fractions and compounds. The morphological and ultrastructural changes of MRSA were determined by scanning electron microscopy (SEM). The membrane-targeting mechanism of the active ingredients was explored by membrane integrity assays, membrane fluidity assays, membrane potential assays, ATP, and ROS determination. We identified eight prenylated flavonoids in Psoralea corylifolia Linn. seed. The antibacterial activity and mechanism studies showed that this type of compound has a unique destructive effect on MRSA cell membranes and does not result in drug resistance. The results revealed that prenylated flavonoids in Psoralea corylifolia Linn. seeds are promising candidates for the development of novel antibiotic agents to combat MRSA-associated infections.
Mitsunobu Reaction: A Powerful Tool for the Synthesis of Natural Products: A Review
Authors: Munawar Saba , Zahoor Ameer Fawad , Ali Shafaqat , Javed Sadia , Irfan Muhammad , Irfan Ali , Kotwica-Mojzych Katarzyna , Mojzych Mariusz
Published: October 2022

The Mitsunobu reaction plays a vital part in organic chemistry due to its wide synthetic applications. It is considered as a significant reaction for the interconversion of one functional group (alcohol) to another (ester) in the presence of oxidizing agents (azodicarboxylates) and reducing agents (phosphines). It is a renowned stereoselective reaction which inverts the stereochemical configuration of end products. One of the most important applications of the Mitsunobu reaction is its role in the synthesis of natural products. This review article will focus on the contribution of the Mitsunobu reaction towards the total synthesis of natural products, highlighting their biological potential during recent years.
Structure, Oxygen Content and Electric Properties of Titanium Nitride Electrodes in TiNx/La:HfO2/TiNx Stacks Grown by PEALD on SiO2/Si
Authors: Suvorova Elena I. , Uvarov Oleg V. , Chizh Kirill V. , Klimenko Alexey A. , Buffat Philippe A.
Published: October 2022

This work reports experimental results of the quantitative determination of oxygen and band gap measurement in the TiNx electrodes in planar TiNx top/La:HfO2/TiNx bottom MIM stacks obtained by plasma enhanced atomic layer deposition on SiO2. Methodological aspects of extracting structural and chemical information from (scanning) transmission electron microscopy imaging (bright field and high angular annular dark field), energy dispersive X-ray spectrometry and electron energy loss spectroscopy are thoroughly considered. The study shows that the oxygen concentration is higher in the TiNxOy bottom electrode (about 14.2 ± 0.1 at. %) compared to the TiNxOy top electrode (about 11.4 ± 0.5 at. %). The following average stoichiometric formulas are TiN0.52O0.20 top and TiN0.54O0.26 bottom for top and bottom electrodes, respectively. The amount of oxygen incorporated into TiNx during PEALD because of oxygen impurities in the plasma is minor compared to that because of diffusion from SiO2 and HfO2. This asymmetry, together with results on a sample grown on a Si substrate, shows that incorporating oxygen impurity from the plasma itself is a minor part compared to diffusion from the SiO2 substrate and HfO2 dielectric during the PEALD growth. We observe the presence of TiO2 at the interface between the Hf oxide layer and the Ti nitride electrodes as well as at the SiO2 interface. EELS analysis led to a band gap ranging from 2.2 to 2.5 eV for the bottom TiNxOy and 1.7–2.2 eV for the top TiNxOy, which is in fair agreement with results obtained on the top TiNx electrode (1.6 ± 01 eV) using optical absorption spectra. Measurement of sheet resistance, resistivity and temperature coefficient of resistance by a four-point probe on the top TiNxOy electrode from 20 to 100 °C corresponds to the typical values for semiconductors.
Surface-Enhanced Raman Spectroscopy Chips Based on Silver Coated Gold Nanostars
Authors: Parmigiani Miriam , Albini Benedetta , Pellegrini Giovanni , Genovesi Marco , De Vita Lorenzo , Pallavicini Piersandro , Dacarro Giacomo , Galinetto Pietro , Taglietti Angelo
Published: October 2022

Surface-enhanced Raman scattering (SERS) is becoming widely used as an analytical tool, and the search for stable and highly responsive SERS substrates able to give ultralow detection of pollutants is a current challenge. In this paper we boosted the SERS response of Gold nanostars (GNS) demonstrating that their coating with a layer of silver having a proper thickness produces a 7-fold increase in SERS signals. Glass supported monolayers of these GNS@Ag were then prepared using simple alcoxyliane chemistry, yielding efficient and reproducible SERS chips, which were tested for the detection of molecules representative of different classes of pollutants. Among them, norfloxacin was detected down to 3 ppb, which is one of the lowest limits of detection obtained with this technique for the analyte.
TiO2 Gas Sensors Combining Experimental and DFT Calculations: A Review
Authors: Yan Zirui , Zhang Yaofang , Kang Weimin , Deng Nanping , Pan Yingwen , Sun Wei , Ni Jian , Kang Xiaoying
Published: October 2022

Gas sensors play an irreplaceable role in industry and life. Different types of gas sensors, including metal-oxide sensors, are developed for different scenarios. Titanium dioxide is widely used in dyes, photocatalysis, and other fields by virtue of its nontoxic and nonhazardous properties, and excellent performance. Additionally, researchers are continuously exploring applications in other fields, such as gas sensors and batteries. The preparation methods include deposition, magnetron sputtering, and electrostatic spinning. As researchers continue to study sensors with the help of modern computers, microcosm simulations have been implemented, opening up new possibilities for research. The combination of simulation and calculation will help us to better grasp the reaction mechanisms, improve the design of gas sensor materials, and better respond to different gas environments. In this paper, the experimental and computational aspects of TiO2 are reviewed, and the future research directions are described.
The Complexity of Comparative Adsorption of C6 Hydrocarbons (Benzene, Cyclohexane, n-Hexane) at Metal–Organic Frameworks
Authors: Jansen Christian , Assahub Nabil , Spieß Alex , Liang Jun , Schmitz Alexa , Xing Shanghua , Gökpinar Serkan , Janiak Christoph
Published: October 2022

The relatively stable MOFs Alfum, MIL-160, DUT-4, DUT-5, MIL-53-TDC, MIL-53, UiO-66, UiO-66-NH2, UiO-66(F)4, UiO-67, DUT-67, NH2-MIL-125, MIL-125, MIL-101(Cr), ZIF-8, ZIF-11 and ZIF-7 were studied for their C6 sorption properties. An understanding of the uptake of the larger C6 molecules cannot simply be achieved with surface area and pore volume (from N2 sorption) but involves the complex micropore structure of the MOF. The maximum adsorption capacity at p p0−1 = 0.9 was shown by DUT-4 for benzene, MIL-101(Cr) for cyclohexane and DUT-5 for n-hexane. In the low-pressure range from p p0−1 = 0.1 down to 0.05 the highest benzene uptake is given by DUT-5, DUT-67/UiO-67 and MIL-101(Cr), for cyclohexane and n-hexane by DUT-5, UiO-67 and MIL-101(Cr). The highest uptake capacity at p p0−1 = 0.02 was seen with MIL-53 for benzene, MIL-125 for cyclohexane and DUT-5 for n-hexane. DUT-5 and MIL-101(Cr) are the MOFs with the widest pore window openings/cross sections but the low-pressure uptake seems to be controlled by a complex combination of ligand and pore-size effect. IAST selectivities between the three binary mixtures show a finely tuned and difficult to predict interplay of pore window size with (critical) adsorptive size and possibly a role of electrostatics through functional groups such as NH2.
Covalent Organic Frameworks with Ionic Liquid-Moieties (ILCOFs): Structures, Synthesis, and CO2 Conversion
Authors: Zhang Ruina , Zhang Zekai , Ke Quanli , Zhou Bing , Cui Guokai , Lu Hanfeng
Published: October 2022

CO2, an acidic gas, is usually emitted from the combustion of fossil fuels and leads to the formation of acid rain and greenhouse effects. CO2 can be used to produce kinds of value-added chemicals from a viewpoint based on carbon capture, utilization, and storage (CCUS). With the combination of unique structures and properties of ionic liquids (ILs) and covalent organic frameworks (COFs), covalent organic frameworks with ionic liquid-moieties (ILCOFs) have been developed as a kind of novel and efficient sorbent, catalyst, and electrolyte since 2016. In this critical review, we first focus on the structures and synthesis of different kinds of ILCOFs materials, including ILCOFs with IL moieties located on the main linkers, on the nodes, and on the side chains. We then discuss the ILCOFs for CO2 capture and conversion, including the reduction and cycloaddition of CO2. Finally, future directions and prospects for ILCOFs are outlined. This review is beneficial for academic researchers in obtaining an overall understanding of ILCOFs and their application of CO2 conversion. This work will open a door to develop novel ILCOFs materials for the capture, separation, and utilization of other typical acid, basic, or neutral gases such as SO2, H2S, NOx, NH3, and so on.
Curcumin Nanodiscs Improve Solubility and Serve as Radiological Protectants against Ionizing Radiation Exposures in a Cell-Cycle Dependent Manner
Authors: Evans Angela C. , Martin Kelly A. , Saxena Manoj , Bicher Sandra , Wheeler Elizabeth , Cordova Emilio J. , Porada Christopher D. , Almeida-Porada Graça , Kato Takamitsu A. , Wilson Paul F. , Coleman Matthew A.
Published: October 2022

Curcumin, a natural polyphenol derived from the spice turmeric (Curcuma longa), contains antioxidant, anti-inflammatory, and anti-cancer properties. However, curcumin bioavailability is inherently low due to poor water solubility and rapid metabolism. Here, we further refined for use curcumin incorporated into “biomimetic” nanolipoprotein particles (cNLPs) consisting of a phospholipid bilayer surrounded by apolipoprotein A1 and amphipathic polymer scaffolding moieties. Our cNLP formulation improves the water solubility of curcumin over 30-fold and produces nanoparticles with ~350 µg/mL total loading capacity for downstream in vitro and in vivo applications. We found that cNLPs were well tolerated in AG05965/MRC-5 human primary lung fibroblasts compared to cultures treated with curcumin solubilized in DMSO (curDMSO). Pre-treatment with cNLPs of quiescent G0/G1-phase MRC-5 cultures improved cell survival following 137Cs gamma ray irradiations, although this finding was reversed in asynchronously cycling log-phase cell cultures. These findings may be useful for establishing cNLPs as a method to improve curcumin bioavailability for administration as a radioprotective and/or radiomitigative agent against ionizing radiation (IR) exposures in non-cycling cells or as a radiosensitizing agent for actively dividing cell populations, such as tumors.
Thermophysical Properties of Vegetable Oil-Based Hybrid Nanofluids Containing Al2O3-TiO2 Nanoparticles as Insulation Oil for Power Transformers
Authors: Wanatasanappan Vignesh Vicki , Rezman Munirah , Abdullah Mohd Zulkifly
Published: October 2022

The massive demand in the electrical power sector has resulted in a large demand for reliable, cost efficient, and environmentally friendly insulation oil to reduce the dependency on mineral oil. The hybridization of nanoparticles in vegetable oil is a novel method to enhance the thermal properties of vegetable oil. This study focuses on the experimental investigation of the thermophysical properties of coconut oil, soybean oil, and palm oil-based hybrid nanofluids suspended with Al2O3-TiO2 nanoparticles at a mass concentration of 0.2, 0.4, and 0.6%. The ratio between Al2O3 and TiO2 nanoparticles was maintained constant at 50:50. The main purpose of the study is to evaluate the thermal conductivity, dynamic viscosity, and density of different vegetable base oils suspended with Al2O3-TiO2 in the temperature range of 30 to 60 °C. The influence of temperature on the augmentation of thermophysical properties for different vegetable oil-based hybrid nanofluids is investigated experimentally. The experimental results for thermal conductivity for the three types of base fluids show that the effect of nanoparticle mass concentration in thermal conductivity enhancement is less significant for temperatures more than 50 °C. The palm oil with a 0.6% Al2O3-TiO2 nanoparticle concentration exhibited the highest thermal conductivity with a 27.5% thermal conductivity enhancement relative to the base oil. The effect of nanofluid temperature on density and viscosity augmentation is more distinct compared with the impact of Al2O3-TiO2 nanoparticles concentrations. Among all three types of hybrid nanofluids, palm oil based nanofluids were found to have superior thermophysical properties compared with coconut oil and soybean oil, with the highest thermal conductivity of 0.628 W/m·k and lowest viscosity of 17.772 mPa·s.
Recent Advances in g-C3N4 for the Application of Perovskite Solar Cells
Authors: Yang Jian , Ma Yuhui , Yang Jianping , Liu Wei , Li Xing’ao
Published: October 2022

In this study, graphitic carbon nitride (g-C3N4) was extensively utilized as an electron transport layer or interfacial buffer layer for simultaneously realizing photoelectric performance and stability improvement of perovskite solar cells (PSCs). This review covers the different g-C3N4 nanostructures used as additive and surface modifier layers applied to PSCs. In addition, the mechanism of reducing the defect state in PSCs, including improving the crystalline quality of perovskite, passivating the grain boundaries, and tuning the energy level alignment, were also highlighted in this review. Currently, the power conversion efficiency of PSCs based on modified g-C3N4 has been increased up to 22.13%, and its unique two-dimensional (2D) package structure has enhanced the stability of PSCs, which can remain stable in the dark for over 1500 h. Finally, the potential challenges and perspectives of g-C3N4 incorporated into perovskite-based optoelectronic devices are also included in this review.
Investigating the Absorption Spectra of a Plasmonic Metamaterial Absorber Based on Disc-in-Hole Nanometallic Structure
Authors: Mahros Amr M. , Alharbi Yara
Published: October 2022

In this work, we present and explore the characteristics of a plasmonic metamaterial absorber based on a metal–insulator–metal functional stack. The proposed structure consists of glass “sandwiched” between a silver reflector and a titanium metallic disc, embedded inside a Ti periodic nano-hole array, as an outside layer. In the visible and infrared regimes, the optical absorption spectra of such structures have been investigated using the finite difference time domain method. The impact of modifying nano-hole and embedded disc diameters on the absorber’s performance has been investigated. Changing these two distinct structural parameters tunes the coupling effect between the localized and propagating surface plasmons. The adequate bandwidth, average spectral absorption rate, and short circuit current density are calculated to determine the performance of the designated absorber. The proposed structure of the plasmonic metamaterial absorber reaches an average absorption of over 94% in a bandwidth of 0.81 µm and near-perfect absorption of 98% around the wavelength of 0.7 µm, with an almost 100% relative absorption bandwidth and 41 mA/cm2 short circuit current density. In addition, the results show that the disc-in-hole absorber’s structural parameters can be changed precisely and facilely to tailor to the absorption spectra.
Highly Sensitive Electrochemical Detection of Paraquat in Environmental Water Samples Using a Vertically Ordered Mesoporous Silica Film and a Nanocarbon Composite
Authors: Zheng Weiran , Su Ruobing , Yu Guoguang , Liu Lin , Yan Fei
Published: October 2022

Herein, we demonstrate a sensitive and rapid electrochemical method for the detection of paraquat (PQ) using a glassy carbon electrode (GCE) modified with vertically ordered mesoporous silica films (VMSF) and a nanocarbon composite. The three-dimensional graphene-carbon nanotube (3DG-CNT) nanocarbon composite has a 3D network structure, a large electroactive area and oxygen-containing groups, promoting electron transfer between PQ and the underlying electrode and providing a suitable microenvironment for the stable growth of VMSF. This VMSF/3DG-CNT nanocomposite film could be prepared on the GCE’s surface by a two-step electrochemical method with good controllability and convenience. Owing to the synergistic effect of the electrocatalytic ability of 3DG-CNT and the electrostatically enriched capacity of VMSF, the proposed VMSF/3DG-CNT/GCE has superior analytical sensitivity compared with the bare GCE. Furthermore, VMSF has excellent anti-fouling ability that makes the fabricated sensor exhibit satisfactory performance for direct analysis of PQ in environmental water samples.
Dietary Fats and Cardio-Metabolic Outcomes in a Cohort of Italian Adults
Authors: Currenti Walter , Godos Justyna , Alanazi Amer M. , Grosso Giuseppe , Cincione Raffaele Ivan , La Vignera Sandro , Buscemi Silvio , Galvano Fabio
Published: October 2022

Background: Dietary fats, and especially saturated fatty acid (SFA), have been blamed for being the culprit in the dramatic increase in obesity and its associated diseases. However multiple systematic reviews and recent meta-analyses do not support the association between SFA and cardiovascular diseases. Thus, the objective of this study was to test whether specific types and subtypes of dietary fats are associated with metabolic outcomes in a cohort of Italian adults. Methods: Nutritional and demographic data of 1936 adults living in the south of Italy were examined. Food frequency questionnaires (FFQs) were administered to assess the intake of total dietary fat and each specific class of dietary fat, such as SFA, monounsaturated fatty acid (MUFA) and polyunsaturated fatty acid (PUFA). The intake of fatty acids was also examined according to the carbon-chain length of each individual class. Cases of hypertension, type-2 diabetes and dyslipidemias were collected from previous doctor-confirmed diagnosis records (or direct measurement of blood pressure). Results: After adjustment for potential confounding factors, individuals reporting higher intakes of total and saturated fats were associated with lower likelihood of having hypertension (odds ratio (OR) = 0.57, 95% CI: 0.35, 0.91 and OR = 0.55, 95% CI: 0.34, 0.89, respectively). Moreover, higher intake of short-chain saturated fatty acids (SCSFAs) and medium-chain saturated fatty acids (MCSFAs) was inversely associated with dyslipidemia and diabetes (OR = 0.43, 95% CI: 0.23, 0.82 and OR = 0.25, 95% CI: 0.09, 0.72, respectively). Among MUFAs, C18:1 was inversely associated with hypertension and diabetes (OR = 0.52, 95% CI: 0.30, 0.92 and OR = 0.21, 95% CI: 0.07, 0.67, respectively), while C14:1 intake was inversely associated only with hypertension (OR = 0.57, 95% CI: 0.37, 0.88). In contrast, C20:1 intake was associated with dyslipidemia (OR = 3.35, 95% CI: 1.33, 8.42). Regarding PUFA, C18:2 and 20:5 were inversely associated with hypertension (OR = 0.33, 95% CI: 0.18, 0.60 and OR = 0.30, 95% CI: 0.10, 0.89, respectively). Conclusions: The consumption of SFA does not seem to be harmful to cardio-metabolic health and, on the contrary, SCSFA may exert beneficial effects. Further studies are needed to clearly validate the results of the present study.
Effects of Lactiplantibacillus plantarum OLL2712 on Memory Function in Older Adults with Declining Memory: A Randomized Placebo-Controlled Trial
Authors: Sakurai Keisuke , Toshimitsu Takayuki , Okada Erika , Anzai Saya , Shiraishi Izumi , Inamura Noriko , Kobayashi Satoru , Sashihara Toshihiro , Hisatsune Tatsuhiro
Published: October 2022

The use of probiotics is expected to be an intervention in neurodegenerative conditions that cause dementia owing to their ability to modulate neuroinflammatory responses via the microbiome-gut–brain axis. Therefore, we selected Lactiplantibacillus plantarum OLL2712 (OLL2712), the optimal anti-inflammatory lactic acid bacteria strain with high IL-10-inducing activity in immune cells, and aimed to verify its protective effects on memory function in older adults. A 12-week, randomized, double-blind, placebo-controlled trial was performed with older adults over the age of 65 years with declining memory. The participants consumed either powder containing heat-treated OLL2712 cells or placebo. Memory function was assessed using a computer-assisted cognitive test, Cognitrax. Daily dietary nutrient intake was assessed using the Brief-type Self-administered Diet History Questionnaire (BDHQ). The composition of the gut microbiota was analyzed by fecal DNA extraction and 16S rDNA sequencing. Data from 78 participants who completed the entire procedure were analyzed, and significant improvements in composite memory and visual memory scores were observed in the active group, after accounting for the effect of daily nutritional intake (p = 0.044 and p = 0.021, respectively). In addition, the active group had a lower abundance ratio of Lachnoclostridium, Monoglobus, and Oscillibacter genera, which have been reported to be involved in inflammation. The present study suggests that OLL2712 ingestion has protective effects against memory function decline in older adults.
Assessment of Iodine Concentration in Human Milk from Donors: Implications for Preterm Infants
Authors: Ureta-Velasco Noelia , Keller Kristin , Escuder-Vieco Diana , Serrano José C. E. , García-Lara Nadia Raquel , Pallás-Alonso Carmen R.
Published: October 2022

Preterm infants are particularly vulnerable to developing iodine deficiency. Donor human milk (DHM) is the preferred feeding option if the mother’s own milk (MOM) is not available, but information on DHM iodine concentration (DHMIC) is lacking. Hence, we aimed to assess DHMIC to further evaluate the adequacy of iodine provision in preterm infants. Finally, associations that might influence DHMIC were studied. In 113 donors, we measured iodine intake by evaluating dietary records for five consecutive days with the DIAL® Software. From the second day of dietary record, donors provided human milk samples (at least one per day) for four consecutive days. Daily human milk samples were analyzed for DHMIC. A DHMIC ≥ 200 µg/L was considered an adequate iodine content for preterm infants. DHMIC and urine iodine concentration (UIC) were determined using ICP-MS. In our study, 83.2% of donors had a full-term infant. Breastfeeding time range was 1.5–49.4 months. During the dietary record, 55.8% took iodine-containing supplements, providing 40–200 µg/day of iodine. The medians (p25, p75) UIC and DHMIC were 112.4 (75.8, 160.1) and 148.5 (97.6, 206.1) µg/L, respectively. In this iodine-sufficient population, 70% had a DHMIC of <200 µg/L. Donors’ intake of iodine-containing supplements was associated with higher DHMIC.
Home Artificial Nutrition and Energy Balance in Cancer Patients: Nutritional and Clinical Outcomes
Authors: Ruggeri Enrico , Ostan Rita , Varani Silvia , Pannuti Raffaella , Biasco Guido
Published: October 2022

Malnutrition is one of the main factors determining cachexia syndrome, which negatively impacts the quality of life and survival. In cancer patients, artificial nutrition is considered as an appropriate therapy when the impossibility of an adequate oral intake worsened nutritional and clinical conditions. This study aims to verify, in a home palliative care setting for cancer patients, if home artificial nutrition (HAN) supplies a patient’s energy requirement, improving nutritional and performance status. A nutritional service team performed counseling at a patient’s home and assessed nutritional status (body mass index, weight loss in the past 6 months), resting energy expenditure (REE), and oral food intake; Karnofsky Performance Status (KPS); cachexia degree; and survival. From 1990 to 2021, 1063 patients started HAN. Among these patients, 101 suspended artificial nutrition for oral refeeding. Among the 962 patients continuing HAN until death, 226 patients (23.5%) survived 6 weeks or less. HAN allowed to achieve a positive energy balance in 736 patients who survived more than 6 weeks, improving body weight and KPS when evaluated after 1 month of HAN. Advanced cancer and cachexia degree at the entry of the study negatively affected the positive impact of HAN.
A Six-Week Follow-Up Study on the Sustained Effects of Prolonged Water-Only Fasting and Refeeding on Markers of Cardiometabolic Risk
Authors: Gabriel Sahmla , Ncube Mackson , Zeiler Evelyn , Thompson Natasha , Karlsen Micaela , Goldman David , Glavas Zrinka , Beauchesne Andrew , Scharf Eugene , Goldhamer Alan , Myers Toshia
Published: October 2022

(1) Background: Chronic inflammation and insulin resistance are associated with cardiometabolic diseases, such as cardiovascular disease, type 2 diabetes mellitus, and non-alcoholic fatty liver disease. Therapeutic water-only fasting and whole-plant-food refeeding was previously shown to improve markers of cardiometabolic risk and may be an effective preventative treatment but sustained outcomes are unknown. We conducted a single-arm, open-label, observational study with a six-week post-treatment follow-up visit to assess the effects of water-only fasting and refeeding on markers of cardiometabolic risk. (2) Methods: Patients who had voluntarily elected and were approved to complete a water-only fast were recruited from a single-center residential medical facility. The primary endpoint was to describe changes to Homeostatic Model Assessment of Insulin Resistance (HOMA-IR) scores between the end-of-refeed visit and the six-week follow-up visit. Additionally, we report on changes in anthropometric measures, blood lipids, high-sensitivity C-reactive protein (hsCRP), and fatty liver index (FLI). Observations were made at baseline, end-of-fast (EOF), end-of-refeed (EOR), and six-week follow-up (FU). (3) Results: The study enrolled 40 overweight/obese non-diabetic participants, of which 33 completed the full study protocol. Median fasting, refeeding, and follow-up lengths were 14, 6, and 45 days, respectively. At the FU visit, body weight (BW), body mass index (BMI), abdominal circumference (AC), systolic blood pressure (SBP), diastolic blood pressure (DBP), total cholesterol (TC), low-density lipoprotein (LDL), hsCRP, and FLI were significantly decreased from baseline. Triglycerides (TG) and HOMA-IR scores, which had increased at EOR, returned to baseline values at the FU visit. (4) Conclusion: Water-only fasting and whole-plant-food refeeding demonstrate potential for long-term improvements in markers of cardiovascular risk including BW, BMI, AC, SBP, DBP, blood lipids, FLI, and hsCRP.