bluuebunny/crossref_metadata_2025 huggingface dataset:
Waste By-Product of Grape Seed Oil Production: Chemical Characterization for Use as a Food and Feed Supplement
Authors: D’Eusanio Veronica , Malferrari Daniele , Marchetti Andrea , Roncaglia Fabrizio , Tassi Lorenzo
Published: January 2023

Among the waste materials of wine production, grape seeds constitute an important fraction of the pomace, from which the precious edible oil is extracted. The residual mass from oil extraction, the defatted grape seeds (DGS), can be destined for composting or valorized according to the circular economy rules to produce pyrolytic biochar by gasification or pellets for integral energy recovery. Only a small quantity is used for subsequent extraction of polyphenols and tannins. In this study, we performed a chemical characterization of the DGS, by applying spectroscopic techniques (ICP-OES) to determine the metal content, separation techniques (HS-SPME-GC-MS) to evaluate the volatile fraction, and thermal methods of analysis (TGA-MS-EGA) to identify different matrix constituents. Our main goal is to obtain information about the composition of DGS and identify some bioactive compounds constituting the matrix in view of possible future applications. The results suggest that DGS can be further exploited as a dietary supplement, or as an enriching ingredient in foods, for example, in baked goods. Defatted grape seed flour can be used for both human and animal consumption, as it is a source of functional macro- and micronutrients that help in maintaining optimal health and well-being conditions.
Polyplacophoran Feeding Traces on Mediterranean Pliocene Sirenian Bones: Insights on the Role of Grazing Bioeroders in Shallow-Marine Vertebrate Falls
Authors: Collareta Alberto , Merella Marco , Casati Simone , Di Cencio Andrea , Tinelli Chiara , Bianucci Giovanni
Published: January 2023

Chitons (Polyplacophora) include some of the most conspicuous bioeroders of the present-day shallow seas. Abundant palaeontological evidence for the feeding activity of ancient chitons is preserved in the form of radular traces that are usually found on invertebrate shells and hardgrounds. We report on widespread grazing traces occurring on partial skeletons of the extinct sirenian Metaxytherium subapenninum from the Lower Pliocene (Zanclean) of Arcille (Grosseto Province, Tuscany, Italy). These distinctive ichnofossils are described under the ichnotaxonomic name Osteocallis leonardii isp. nov. and interpreted as reflecting substrate scraping by polyplacophorans. A scrutiny of palaeontological literature reveals that similar traces occur on fossil vertebrates as old as the Upper Cretaceous, suggesting that bone has served as a substrate for chiton feeding for more than 66 million years. Whether these bone modifications reflect algal grazing, carrion scavenging or bone consumption remains unsure, but the first hypothesis appears to be the most parsimonious, as well as the most likely in light of the available actualistic data. As the role of bioerosion in controlling fossilization can hardly be overestimated, further research investigating how grazing organisms contribute to the biostratinomic processes affecting bone promises to disclose new information on how some marine vertebrates manage to become fossils.
Concise, Practical Review on Transthoracic Lung Ultrasound in Prehospital Diagnosis of Dyspnea in Adults
Authors: Kowalczyk Damian , Piotrowski Wojciech J. , Rosiak Oskar , Białas Adam J.
Published: January 2023

Ultrasonography is a relatively young but widely recognized method of imaging parenchymal organs, including the lungs. Our concise, practical review on transthoracic lung ultrasound (LUS) in the prehospital diagnosis of dyspnea in adults attempts to summarize current knowledge in the field. Furthermore, we discussed POCUS protocols in the analyzed context, discussing their usefulness. We concluded that bedside ultrasonography, or point of care (POCUS), is developing rapidly; however, the knowledge about the use of LUS in a pre-hospital setting is scarce, highlighting the need for further research in this field. Additionally, despite the possibility of using various ultrasound protocols in diagnosing a patient with dyspnea, there is no comprehensive and, at the same time, highly sensitive and specific protocol covering a satisfactory saccade of differential diagnosis of this symptom. It seems reasonable to conduct further targeted research to create such a dedicated solution.
High-Density Microarray Analysis of Microbial Community Structures in Membrane Bioreactor at Short Sludge Retention Time
Authors: Li Shilong , Duan Liang , Song Yonghui , Hermanowicz Slawomir
Published: January 2023

Membrane bioreactors (MBR) have become prevalent in wastewater treatment because of their high effluent quality and low sludge generation. Sludge retention time (SRT) is an important parameter in the operation of MBR, and it has a direct effect on the microbial community. In this study, microarrays were used to analyze the microbial communities of three different MBRs at short SRTs. The results showed that MBR at SRT 5 days (CS5) has the highest operational taxonomic units (OTUs) richness, but the lowest diversity and uniformity compared to SRT 3 days at continuous CS3 and the sequencing batch (SS3). Proteobacteria were the dominant phylum of three reactors. Bacteroidetes were the second dominant phylum in MBRs at the continuous model, instead of Actinobacteria at the sequencing model. At the class level, the dominant group of Proteobacteria exhibited a remarkable difference between the three MBRs. γ-Proteobacteria was the dominant group in CS5 and CS3, while α-Proteobacteria was the main group in SS3. The samples from the three MBRs had similar compositions of α-, β- and δ-Proteobacteria. However, γ-Proteobacteria showed different community compositions at the order level between the three MBRs. Enterobacteriales were the dominant group in CS5 and CS3, while Pseudomonadales were the dominant group in SS3. The bacterial community concentration of SRT 5 days was generally higher than that of the other two MBRs. The community composition of CS5 was significantly different from that of CS3 and SS3, and the phylogenetic relationships of the three MBRs were relatively different.
Current Trends and Changes in Use of Membrane Molecular Dynamics Simulations within Academia and the Pharmaceutical Industry
Authors: Watkins Stephan L.
Published: January 2023

There has been an almost exponential increase in the use of molecular dynamics simulations in basic research and industry over the last 5 years, with almost a doubling in the number of publications each year. Many of these are focused on neurological membranes, and biological membranes in general, applied to the medical industry. A smaller portion have utilized membrane simulations to answer more basic questions related to the function of specific proteins, chemicals or biological processes. This review covers some newer studies, alongside studies from the last two decades, to determine changes in the field. Some of these are basic, while others are more profound, such as multi-component embedded membrane machinery. It is clear that many facets of the discipline remain the same, while the focus on and uses of the technology are broadening in scope and utilization as a general research tool. Analysis of recent literature provides an overview of the current methodologies, covers some of the recent trends or advances and tries to make predictions of the overall path membrane molecular dynamics will follow in the coming years. In general, the overview presented is geared towards the general scientific community, who may wish to introduce the use of these methodologies in light of these changes, making molecular dynamic simulations more feasible for general scientific or medical research.
Chemical Composition, Biomolecular Analysis, and Nuclear Magnetic Resonance Spectroscopic Fingerprinting of Posidonia oceanica and Ascophyllum nodosum Extracts
Authors: Bruno Angelica , Velders Aldrik H. , Biasone Alessandro , Li Vigni Mario , Mondelli Donato , Miano Teodoro
Published: January 2023

A detailed analysis of the elemental and molecular composition of Posidonia oceanica (PO) and Ascophyllum nodosum (AN) is presented. In particular, an in-depth study of the molecular identification via NMR spectroscopy of aqueous and organic extracts of PO and AN was carried out, exploiting 2D COSY and pseudo-2D DOSY data to aid in the assignment of peaks in complex 1D proton NMR spectra. Many metabolites were identified, such as carbohydrates, amino acids, organic acids, fatty acids, and polyphenols, with NMR complementing the characterization of the two species by standard elemental analysis, HPLC analysis, and colorimetric testing. For PO, different parts of the live plant (roots, rhizomes, and leaves) were analysed, as well as the residues of the dead plant which typically deposit along the coasts. The combination of the various studies made it possible to recognize bioactive compounds naturally present in the two plant species and, in particular, in the PO residues, opening the door for their possible recycling and use in, for example, fertilizer. Furthermore, NMR is proven to be a powerful tool for the metabolomic study of plant species as it allows for the direct identification of specific biomarkers as well as providing a molecular fingerprint of the plant variety.
Regulation of Human Endogenous Metabolites by Drug Transporters and Drug Metabolizing Enzymes: An Analysis of Targeted SNP-Metabolite Associations
Authors: Granados Jeffry C. , Watrous Jeramie D. , Long Tao , Rosenthal Sara Brin , Cheng Susan , Jain Mohit , Nigam Sanjay K.
Published: January 2023

Drug transporters and drug-metabolizing enzymes are primarily known for their role in the absorption, distribution, metabolism, and excretion (ADME) of small molecule drugs, but they also play a key role in handling endogenous metabolites. Recent cross-tissue co-expression network analyses have revealed a “Remote Sensing and Signaling Network” of multispecific, oligo-specific, and monospecific transporters and enzymes involved in endogenous metabolism. This includes many proteins from families involved in ADME (e.g., SLC22, SLCO, ABCC, CYP, UGT). Focusing on the gut−liver−kidney axis, we identified the endogenous metabolites potentially regulated by this network of ~1000 proteins by associating SNPs in these genes with the circulating levels of thousands of small, polar, bioactive metabolites, including free fatty acids, eicosanoids, bile acids, and other signaling metabolites that act in part via G-protein coupled receptors (GPCRs), nuclear receptors, and kinases. We identified 77 genomic loci associated with 7236 unique metabolites. This included metabolites that were associated with multiple, distinct loci, indicating coordinated regulation between multiple genes (including drug transporters and drug-metabolizing enzymes) of specific metabolites. We analyzed existing pharmacogenomic data and noted SNPs implicated in endogenous metabolite handling (e.g., rs4149056 in SLCO1B1) also affecting drug ADME. The overall results support the existence of close relationships, via interactions with signaling metabolites, between drug transporters and drug-metabolizing enzymes that are part of the Remote Sensing and Signaling Network, and with GPCRs and nuclear receptors. These analyses highlight the potential for drug−metabolite interactions at the interfaces of the Remote Sensing and Signaling Network and the ADME protein network.
Metabolic Modeling Identifies a Novel Molecular Type of Glioblastoma Associated with Good Prognosis
Authors: Shen Qiu , Yang Hua , Kong Qing-Peng , Li Gong-Hua , Li Li
Published: January 2023

Glioblastoma (GBM) is one of the most aggressive forms of cancer. Although IDH1 mutation indicates a good prognosis and a potential target for treatment, most GBMs are IDH1 wild-type. Identifying additional molecular markers would help to generate personalized therapies and improve patient outcomes. Here, we used our recently developed metabolic modeling method (genome-wide precision metabolic modeling, GPMM) to investigate the metabolic profiles of GBM, aiming to identify additional novel molecular markers for this disease. We systematically analyzed the metabolic reaction profiles of 149 GBM samples lacking IDH1 mutation. Forty-eight reactions showing significant association with prognosis were identified. Further analysis indicated that the purine recycling, nucleotide interconversion, and folate metabolism pathways were the most robust modules related to prognosis. Considering the three pathways, we then identified the most significant GBM type for a better prognosis, namely N+P−. This type presented high nucleotide interconversion (N+) and low purine recycling (P−). N+P−-type exhibited a significantly better outcome (log-rank p = 4.7 × 10−7) than that of N−P+. GBM patients with the N+P−-type had a median survival time of 19.6 months and lived 65% longer than other GBM patients. Our results highlighted a novel molecular type of GBM, which showed relatively high frequency (26%) in GBM patients lacking the IDH1 mutation, and therefore exhibits potential in GBM prognostic assessment and personalized therapy.
Metabolite Profiling of Premium Civet Luwak Bio-Transformed Coffee Compared with Conventional Coffee Types, as Analyzed Using Chemometric Tools
Authors: Farag Mohamed A. , Mohamed Tarik A. , El-Hawary Enas A. , Abdelwareth Amr
Published: January 2023

Luwak (civet) coffee is one of the most precious and exotic coffee commodities in the world. It has garnered an increasing reputation as the rarest and most expensive coffee, with an annual production. Many targeted analytical techniques have been reported for the discrimination of specialty coffee commodities, such as Luwak coffee, from other ordinary coffee. This study presents the first comparative metabolomics approach for Luwak coffee analysis compared to other coffee products, targeting secondary and aroma metabolites using nuclear magnetic resonance (NMR), gas chromatography (GC), or liquid chromatography (LC) coupled with mass spectrometry (MS). Chemometric modeling of these datasets showed significant classification among all samples and aided in identifying potential novel markers for Luwak coffee from other coffee samples. Markers have indicated that C. arabica was the source of Luwak coffee, with several new markers being identified, including kahweol, chlorogenic acid lactones, and elaidic acid. Aroma profiling using solid-phase micro-extraction (SPME) coupled with GC/MS revealed higher levels of guaiacol derivatives, pyrazines, and furans in roasted Luwak coffee compared with roasted C. arabica. Quantification of the major metabolites was attempted using NMR for Luwak coffee to enable future standardization. Lower levels of alkaloids (caffeine 2.85 µg/mg, trigonelline 0.14 µg/mg, and xanthine 0.03 µg/mg) were detected, compared with C. arabica. Other metabolites that were quantified in civet coffee included kahweol and difurfuryl ether at 1.37 and 0.15 µg/mg, respectively.
Tree-Based Machine Learning Models with Optuna in Predicting Impedance Values for Circuit Analysis
Authors: Lai Jung-Pin , Lin Ying-Lei , Lin Ho-Chuan , Shih Chih-Yuan , Wang Yu-Po , Pai Ping-Feng
Published: January 2023

The transmission characteristics of the printed circuit board (PCB) ensure signal integrity and support the entire circuit system, with impedance matching being critical in the design of high-speed PCB circuits. Because the factors affecting impedance are closely related to the PCB production process, circuit designers and manufacturers must work together to adjust the target impedance to maintain signal integrity. Five machine learning models, including decision tree (DT), random forest (RF), extreme gradient boosting (XGBoost), categorical boosting (CatBoost), and light gradient boosting machine (LightGBM), were used to forecast target impedance values. Furthermore, the Optuna algorithm is used to determine forecasting model hyperparameters. This study applied tree-based machine learning techniques with Optuna to predict impedance. The results revealed that five tree-based machine learning models with Optuna can generate satisfying forecasting accuracy in terms of three measurements, including mean absolute percentage error (MAPE), root mean square error (RMSE), and coefficient of determination (R2). Meanwhile, the LightGBM model with Optuna outperformed the other models. In addition, by using Optuna to tune the parameters of machine learning models, the accuracy of impedance matching can be increased. Thus, the results of this study suggest that the tree-based machine learning techniques with Optuna are a viable and promising alternative for predicting impedance values for circuit analysis.
Design and Experimental Study of a Stepping Piezoelectric Actuator with Large Stroke and High Speed
Authors: Duan Qirui , Zheng Yajun , Jin Jun , Hu Ningdong , Zhang Zenglei , Hu Hongping
Published: January 2023

A stepping piezoelectric actuator is proposed with large stroke and high speed. The piezoelectric actuator consists of two symmetrical stators and a mover. The actuator can operate with a “double-drive, four-clamp” mode. The proposed actuator solves the problems of short stroke, low speed, and small load inherent in the currently published stepping piezoelectric actuators. By combining Workbench software with APDL language, finite element simulation and statics and dynamics analysis are carried out to guide the design of the actuator. The new piezoelectric simulation method can solve the difficulties regarding parameter setting and loading voltage on multiple interfaces for a complex piezoelectric model. Therefore, the novel method is helpful to develop the simulation of multilayer thin piezoelectric devices. The prototype of the actuator is developed and tested. Experimental results show that the actuator can run stably in the range of 0 to 600 Hz. The driving stroke is greater than 85 mm, the resolution can reach 535 nm, the maximum driving speed is 6.11 mm/s, and the maximum load is 49 N.
Reduction of Viral and Bacterial Activity by Using a Self-Powered Variable-Frequency Electrical Stimulation Device
Authors: Tsai Hsin-Yi , Lin Yu-Hsuan , Huang Kuo-Cheng , Yang Ching-Ching , Chou Chun-Han , Chao Liang-Chieh
Published: January 2023

Viruses and bacteria, which can rapidly spread through droplets and saliva, can have serious effects on people’s health. Viral activity is traditionally inhibited using chemical substances, such as alcohol or bleach, or physical methods, such as thermal energy or ultraviolet-light irradiation. However, such methods cannot be used in many applications because they have certain disadvantages, such as causing eye or skin injuries. Therefore, in the present study, the electrical stimulation method is used to stimulate a virus, namely, coronavirus 229E, and two types of bacteria, namely, Escherichia coli and Staphylococcus aureus, to efficiently reduce their infectivity of healthy cells (such as the Vero E6 cell in a viral activity-inhibition experiment). The infectivity effects of the aforementioned virus and bacteria were examined under varying values of different electrical stimulation parameters, such as the stimulation current, frequency, and total stimulation time. The experimental results indicate that the activity of coronavirus 229E is considerably inhibited through direct-current pulse stimulation with a current of 25 mA and a frequency of 2 or 20 Hz. In addition, E. coli activity was reduced by nearly 80% in 10 s through alternating-current pulse stimulation with a current of 50 mA and a frequency of 25 Hz. Moreover, a self-powered electrical stimulation device was constructed in this study. This device consists of a solar panel and battery to generate small currents with variable frequencies, which has advantages of self-powered and variable frequencies, and the device can be utilized on desks, chairs, or elevator buttons for the inhibition of viral and bacterial activities.
Influence of Cathode Channel Parameters and Fan Duty Ratio on Low Power Forced-Convection Open-Cathode Proton Exchange Membrane Fuel Cell Stack
Authors: Zhou Jiaxu , Deng Huichao , Xue Rui , Zhang Yufeng
Published: January 2023

The open-cathode forced-convection proton exchange membrane fuel cell has emerged as a viable option for portable energy sources. The forced-convection open-cathode mode, however, makes the cell’s performance sensitive to changes in the cathode channel and fan parameters. In this study, small fuel cell stacks with varying cathode channel depths, widths, and width–rib ratios were assembled, and the effects of different cathode channel parameters and fan duty ratios on cell performance were investigated. The experimental results show that changing the cathode channel parameters has a significant impact on oxidant supply. When the channel width is increased, the cell performance increases first, then decreases. The cell performance decreases as the channel width–rib ratio increases. The performance of the cell improves as the cathode channel depth increases. Furthermore, the experimental results show that decreasing the duty ratio of the fan and using moderate heating improves cell performance.
Fabrication of Substrate-Integrated Waveguide Using Micromachining of Photoetchable Glass Substrate for 5G Millimeter-Wave Applications
Authors: Chung Seung-Han , Shin Jae-Hyun , Kim Yong-Kweon , Baek Chang-Wook
Published: January 2023

A millimeter-wave substrate-integrated waveguide (SIW) was firstly demonstrated using the micromachining of photoetchable glass (PEG) for 5G applications. A PEG substrate was used as a dielectric material of the SIW, and its photoetchable properties were used to fabricate through glass via (TGV) holes. Instead of the conventional metallic through glass via (TGV) array structures that are typically used for the SIW, two continuous empty TGV holes with metallized sidewalls connecting the top metal layer to the bottom ground plane were used as waveguide walls. The proposed TGV walls were fabricated by using optical exposure, heat development and anisotropic HF (hydrofluoric acid) etching of the PEG substrate, followed by a metal sputtering technique. The SIW was fed by microstrip lines connected to the waveguide through tapered microstrip-to-waveguide transitions. The top metal layer, including these feedlines and transitions, was fabricated by selective metal sputtering through a silicon shadow mask, which was prefabricated by a silicon deep-reactive ion-etching (DRIE) technique. The developed PEG-based process provides a relatively simple, wafer-level manufacturing method to fabricate the SIW in a low-cost glass dielectric substrate, without the formation of individual of TGV holes, complex time-consuming TGV filling processes and repeated photolithographic steps. The fabricated SIW had a dimension of 6 × 10 × 0.42 mm3 and showed an average insertion loss of 2.53 ± 0.55 dB in the Ka-band frequency range from 26.5 GHz to 40 GHz, with a return loss better than 13.86 dB. The proposed process could be used not only for SIW-based devices, but also for various millimeter-wave applications where a glass substrate with TGV structures is required.
Bottom-Up Cu Filling of High-Aspect-Ratio through-Diamond vias for 3D Integration in Thermal Management
Authors: Zhao Kechen , Zhao Jiwen , Wei Xiaoyun , Guan Xiaoyu , Deng Chaojun , Dai Bing , Zhu Jiaqi
Published: January 2023

Three-dimensional integrated packaging with through-silicon vias (TSV) can meet the requirements of high-speed computation, high-density storage, low power consumption, and compactness. However, higher power density increases heat dissipation problems, such as severe internal heat storage and prominent local hot spots. Among bulk materials, diamond has the highest thermal conductivity (≥2000 W/mK), thereby prompting its application in high-power semiconductor devices for heat dissipation. In this paper, we report an innovative bottom-up Cu electroplating technique with a high-aspect-ratio (10:1) through-diamond vias (TDV). The TDV structure was fabricated by laser processing. The electrolyte wettability of the diamond and metallization surface was improved by Ar/O plasma treatment. Finally, a Cu-filled high-aspect-ratio TDV was realized based on the bottom-up Cu electroplating process at a current density of 0.3 ASD. The average single-via resistance was ≤50 mΩ, which demonstrates the promising application of the fabricated TDV in the thermal management of advanced packaging systems.
Controlling Drain Side Tunneling Barrier Width in Electrically Doped PNPN Tunnel FET
Authors: Shan Chan , Yang Lan , Liu Ying , Liu Zi-Meng , Zheng Han
Published: January 2023

In this paper, we propose and investigate an electrically doped (ED) PNPN tunnel field effect transistor (FET), in which the drain side tunneling barrier width is effectively controlled to obtain a suppressed ambipolar current. We present that the proposed PNPN tunnel FETs can be realized without chemically doped junctions by applying the polarity bias concept to a doped N+/P− starting structure. Using numerical device simulations, we demonstrate how the tunneling barrier width on the drain side can be influenced by several design parameters, such as the gap length between the channel and the drain (Lgap), the working function of the polarity gate, and the dielectric material of the spacer. The simulation results show that an ED PNPN tunneling FET with an ED drain, which has been explored for the first time, exhibits a low ambipolar current of 5.87 × 10−16 A/µm at a gap length of 20 nm. The ambipolar current is reduced by six orders of magnitude compared to that which occurs with a conventional ED PNPN tunnel FET with a uniformly doped drain, while the average subthreshold slope and the ON state and OFF state currents remained nearly identical.
Effects of Ti Containing Cu-Based Alloy on Sintering Mechanism, Element Diffusion Behavior and Physical Properties of Glass-Ceramic Bond for Cubic Boron Nitride Abrasive Tool Materials
Authors: Meng Xianglong , Xiao Bing , Wu Hengheng
Published: January 2023

Ti containing Cu-based (TC) alloy reinforced glass-ceramic bond was fabricated for cubic boron nitride (CBN) abrasive tool materials, and its crystal composition, phase transformation, sintering activation energy, microstructure, element diffusion mathematical model, physical properties, and the bonding mechanism between the TC alloy reinforced glass-ceramic bond and the CBN grains were systematically investigated. The results showed that the structure, composition and sintering behavior of glass-ceramic were influenced by TC alloy adding. The generated TiO2 affected obviously the precipitation of β-quartz solid solution Li2Al2Si3O10, thus improving the relative crystallinity, mechanical strength and thermal properties. By establishing the mathematical model for element diffusion, the element diffusion coefficients of Ti and Cu were 7.82 and 6.98 × 10−11 cm2/s, respectively, which indicated that Ti diffused better than Cu in glass-ceramic. Thus, Ti4+ formed a strong Ti–N chemical bond on the CBN surface, which contributed to improving the wettability and bonding strength between CBN and glass-ceramic bond. After adding TC alloy, the physical properties of the composite were optimized. The porosity, bulk density, flexural strength, Rockwell hardness, CTE, and thermal conductivity of the composites were 5.8%, 3.16 g/cm3, 175 MPa, 90.5 HRC, 3.74 × 10−6 °C−1, and 5.84 W/(m·k), respectively.
RETRACTED: Lamine, S.; Saunders, I. Phytoremediation of Heavy-Metals-Contaminated Soils: A Short-Term Trial Involving Two Willow Species from Gloucester WillowBank in the UK. Minerals 2022, 12, 519
Authors: Lamine Salim , Saunders Ian
Published: January 2023

The journal retracts the article “Phytoremediation of Heavy-Metals-Contaminated Soils: A Short-Term Trial Involving Two Willow Species from Gloucester WillowBank in the UK” [...]
Biochar-Based Photothermal Hydrogel for Efficient Solar Water Purification
Authors: Wang Liang , Wei Jilei , Fang Kun , Zhou Chen , Yang Shengyang
Published: January 2023

The development of technology for solar interface evaporation has a significant meaning for the sustainable use of water resources in remote regions. However, establishing a solar evaporator with a high evaporation rate and favorable water treatment capabilities remains challenging. In this work, we reported a silver nanoparticle (AgNP)@carbonized cattail (CC)/polyvinyl alcohol (PVA) composite hydrogel (ACPH) membrane. Because of the successfully loaded AgNPs, which have a photothermal synergy with the CC, the ACPH-10 membrane obtained an excellent photothermal conversion performance. Additionally, the hydrophilicity of the ACPH-10 membrane ensures a sustainable water supply which is necessary for the improvement of the evaporation rate. Therefore, the ACPH-10 membrane achieves an evaporation rate of 1.66 kg m−2 h−1 and an efficiency of 88.0%, attributed to the remarkable photothermal conversion and water transmission. More importantly, the membrane exhibits superior purification ability in a variety of sewage. Pollutant removal rates in heavy metal and organic dye sewage have exceeded 99.8%. As a result, the ACPH membrane holds great promise for wastewater recovery and seawater desalination, which can aid in resolving the water crisis issue.
Chiral Separation of Cannabichromene, Cannabicyclol, and Their Acidic Analogs on Polysaccharide Chiral Stationary Phases
Authors: Ferraro John M. , Umstead Weston J.
Published: January 2023

Until recently, chirality has not been a major focus in the study of cannabinoids, as most cannabinoids of interest, such as cannabidiol and tetrahydrocannabinol, exist as a single isomer from natural sources. However, this is changing as more cannabinoids are identified, and compounds such as cannabichromene and cannabicyclol are emerging as potential investigatory candidates for varying indications. Because these molecules are chiral, the separation and study of the individual enantiomers’ biological and physiological effects should therefore be of interest. The purpose of this study was to identify analytical separation conditions and then adapt those conditions to preparative separation. This was accomplished with a column-screening approach on Daicel’s immobilized polysaccharide chiral stationary phases using non-traditional mobile phases, which included dichloromethane, ethyl acetate, and methyl tert-butyl ether under high-performance liquid chromatography conditions. CHIRALPAK® IK was found to separate all four compounds well with mobile phases containing hexane-dichloromethane (with or without an acidic additive). From these methods, the separation productivities were calculated to better visualize the separation scalability, which shows that the kilogram-scale separations of each are feasible.
Antimicrobial Activity of Some Steroidal Hydrazones
Authors: Merlani Maia , Nadaraia Nanuli , Amiranashvili Lela , Petrou Anthi , Geronikaki Athina , Ciric Ana , Glamoclija Jasmina , Carevic Tamara , Sokovic Marina
Published: January 2023

Twelve steroid based hydrazones were in silico evaluated using computer program PASS as antimicrobial agents. The experimental evaluation revealed that all compounds have low to moderate antibacterial activity against all bacteria tested, except for B. cereus with MIC at a range of 0.37–3.00 mg/mL and MBC at 0.75–6.00 mg/mL. The most potent appeared to be compound 11 with MIC/MBC of 0.75/1.5 mg/mL, respectively. The evaluation of antibacterial activity against three resistant strains MRSA, E. coli and P. aeruginosa demonstrated superior activity of compounds against MRSA compared with ampicillin, which did not show bacteriostatic or bactericidal activities. All compounds exhibited good antifungal activity with MIC of 0.37–1.50 mg/mL and MFC of 1.50–3.00 mg/mL, but with different sensitivity against fungi tested. According to docking studies, 14-alpha demethylase inhibition may be responsible for antifungal activity. Two compounds were evaluated for their antibiofilm activity. Finally, drug-likeness and docking prediction were performed.
Photocatalytic Degradation of Inherent Pharmaceutical Concentration Levels in Real Hospital WWTP Effluents Using g-C3N4 Catalyst on CPC Pilot Scale Reactor
Authors: Rapti Ilaeira , Kourkouta Theodora , Malisova Evrydiki-Maria , Albanis Triantafyllos , Konstantinou Ioannis
Published: January 2023

The objective of this work was to evaluate the efficiency of a solar photocatalytic process using g-C3N4 as photocatalyst on the degradation of pharmaceutical compounds detected in hospital wastewater treatment plant secondary effluents. A compound parabolic collector pilot plant, established in the secondary effluent stream of the Ioannina city hospital wastewater treatment plant, was used for the photocatalytic experiments. The analysis of the samples before and after the photocatalytic treatment was accomplished using solid phase extraction (SPE), followed by UHPLC-LTQ/Orbitrap HRMS. Initial effluent characterization revealed the presence of ten pharmaceutical compounds. Among these, amisulpride, O-desmethyl venlafaxine, venlafaxine and carbamazepine were detected in all experiments. Initial concentrations ranged from 73 ng L−1 for citalopram to 2924.53 ng L−1 for O-desmethyl venlafaxine. The evolution of BOD5 and COD values were determined before and after the photocatalytic treatment. All detected pharmaceuticals were removed in percentages higher than 54% at an optimum catalyst loading ranging between 200 and 300 mg L−1. The potential of the catalyst to be reused without any treatment for two consecutive cycles was studied, showing a significant efficiency decrease.
Quantitative 1H Nuclear Magnetic Resonance (qNMR) of Aromatic Amino Acids for Protein Quantification
Authors: Tchipilov Teodor , Meyer Klas , Weller Michael G.
Published: January 2023

Hydrolysis of protein samples into amino acids facilitates the use of NMR spectroscopy for protein and peptide quantification. Different conditions have been tested for quantifying aromatic amino acids and proteins. The pH-dependent signal shifts in the aromatic region of amino acid samples were examined. A pH of 12 was found to minimize signal overlap of the four aromatic amino acids. Several aromatic compounds, such as terephthalic acid, sulfoisophthalic acid, and benzene tricarboxylic acid, were applied as internal standards. The quantification of amino acids from an amino acid standard was performed. Using the first two suggested internal standards, recovery was ~97% for histidine, phenylalanine, and tyrosine at a concentration of approximately 1 mM in solution. Acidic hydrolysis of a certified reference material (CRM) of bovine serum albumin (BSA) and subsequent quantification of Phe and Tyr yielded recoveries of 98% ± 2% and 88% ± 4%, respectively, at a protein concentration of 16 g/L or 250 µM.
Viewing Aggregation-Induced Emission of Metal Nanoclusters from Design Strategies to Applications
Authors: Li Tingting , Zhu Haifeng , Wu Zhennan
Published: January 2023

Aggregation-induced emission (AIE)-type metal nanoclusters (NCs) represent an innovative type of luminescent metal NCs whose aggregates exhibit superior performance over that of individuals, attracting wide attention over the past decade. Here, we give a concise overview of the progress made in this area, from design strategies to applications. The representative design strategies, including solvent-induction, cation-induction, crystallization-induction, pH-induction, ligand inheritance, surface constraint, and minerals- and MOF-confinement, are first discussed. We then present the typical practical applications of AIE-type metal NCs in the various sectors of bioimaging, biological diagnosis and therapy (e.g., antibacterial agents, cancer radiotherapy), light-emitting diodes (LEDs), detection assays, and circularly polarized luminescence (CPL). To this end, we present our viewpoints on the promises and challenges of AIE-type metal NCs, which may shed light on the design of highly luminescent metal NCs, stimulating new vitality and serving as a continuous boom for the metal NC community in the future.
Crosswise Stream of Cu-H2O Nanofluid with Micro Rotation Effects: Heat Transfer Analysis
Authors: Mehmood Rashid , Tabassum Rabil , Ali Mohamed R. , Muhammad Taseer
Published: January 2023

The present study focuses on a crosswise stream of liquid-holding nano-sized particles over an elongating (stretching) surface. Tiny particles of copper are added into base liquid (water). The influence of the micro rotation phenomenon is also considered. By means of appropriate transformations non-linear coupled ordinary differential equations are attained that govern the flow problem. The Runge–Kutta–Fehlberg scheme, together with the shooting method, is engaged to acquire results numerically. Micropolar coupling parameter, microelements concentration and nanoparticles volume fraction effects are examined over the profiles of velocity, temperature and micro-rotation. Moreover, heat flux and shear stress are computed against pertinent parameters and presented through bar graphs. Outcomes revealed that material constant has increasing effects on normal components of flow velocity; however, it decreasingly influences the tangential velocity, micro-rotation components and temperature profile. Temperature profile appeared to be higher for weak concentration of microelements. It is further noticed that normal velocity profile is higher in magnitude for the case of strong concentration (n = 0) of microelements, whereas tangential velocity profile is higher near the surface for the case of weak concentration (n = 0.5) of microelements. An increase of 3.74% in heat flux is observed when the volume fraction of nanoparticles is increased from 1 to 5%.
Influence of Isothermal Annealing on Microstructure, Morphology and Oxidation Behavior of AlTiSiN/TiSiN Nanocomposite Coatings
Authors: Šulhánek Patrik , Ďuriška Libor , Palcut Marián , Babincová Paulína , Sahul Martin , Čaplovič Ľubomír , Kusý Martin , Orovčík Ľubomír , Nagy Štefan , Satrapinskyy Leonid , Haršáni Marián , Černičková Ivona
Published: January 2023

The present work investigates the influence of isothermal annealing on the microstructure and oxidation behavior of nanocomposite coatings. AlTiSiN/TiSiN coatings with TiSiN adhesive layer were deposited onto a high-speed steel substrate via physical vapor deposition. The coatings were investigated in the as-deposited state as well as after annealing in air at 700, 800, 900 and 1000 °C, respectively. The microstructure and morphology of the coatings were observed using scanning electron microscopy and transmission electron microscopy. The chemical composition and presence of oxidation products were studied by energy-dispersive X-ray spectroscopy. The phase identification was performed by means of X-ray diffraction. In the microstructure of the as-deposited coating, the (Ti1−xAlx)N particles were embedded in an amorphous Si3N4 matrix. TiO2 and SiO2 were found at all annealing temperatures, and Al2O3 was additionally identified at 1000 °C. It was found that, with increasing annealing temperature, the thickness of the oxide layer increased, and its morphology and chemical composition changed. At 700 and 800 °C, a Ti-Si-rich surface oxide layer was formed. At 900 and 1000 °C, an oxidized part of the coating was observed in addition to the surface oxide layer. Compared to the as-deposited sample, the oxidized samples exhibited considerably worse mechanical properties.
Nano-Conversion of Ineffective Cephalosporins into Potent One against Resistant Clinical Uro-Pathogens via Gold Nanoparticles
Authors: Rizvi Syed Mohd Danish , Hussain Talib , Alshammari Farhan , Sonbol Hana , Ahmad Nabeel , Faiyaz Syed Shah Mohammed , Kamal Mohammad Amjad , Khafagy El-Sayed , Moin Afrasim , Abu Lila Amr Selim
Published: January 2023

Infections caused by resistant bacterial pathogens have increased the complications of clinicians worldwide. The quest for effective antibacterial agents against resistant pathogens has prompted researchers to develop new classes of antibiotics. Unfortunately, pathogens have acted more smartly by developing resistance to even the newest class of antibiotics with time. The culture sensitivity analysis of the clinical samples revealed that pathogens are gaining resistance toward the new generations of cephalosporins at a very fast rate globally. The current study developed gold nanoparticles (AuNPs) that could efficiently deliver the 2nd (cefotetan-CT) and 3rd (cefixime-CX) generation cephalosporins to resistant clinical pathogens. In fact, both CT and CX were used to reduce and stabilize AuNPs by applying a one-pot synthesis approach, and their characterization was performed via spectrophotometry, dynamic light scattering and electron microscopy. Moreover, the synthesized AuNPs were tested against uro-pathogenic resistant clinical strains of Escherichia coli and Klebsiella pneumoniae. CT-AuNPs characteristic SPR peak was observed at 542 nm, and CX-AuNPs showed the same at 522 nm. The stability measurement showed ζ potential as −24.9 mV and −25.2 mV for CT-AuNPs and CX-AuNPs, respectively. Scanning electron microscopy revealed the spherical shape of both the AuNPs, whereas, the size by transmission electron microscopy for CT-AuNPs and CX-AuNPs were estimated to be 45 ± 19 nm and 35 ± 17 nm, respectively. Importantly, once loaded onto AuNPs, both the cephalosporin antibiotics become extremely potent against the resistant strains of E. coli and K. pneumoniae with MIC50 in the range of 0.5 to 0.8 μg/mL. The findings propose that old-generation unresponsive antibiotics could be revived into potent nano-antibiotics via AuNPs. Thus, investing efforts, intellect, time and funds for a nano-antibiotic strategy might be a better approach to overcome resistance than investing the same in the development of newer antibiotic molecule(s).
Enhanced NH3 Sensing Performance of Mo Cluster-MoS2 Nanocomposite Thin Films via the Sulfurization of Mo6 Cluster Iodides Precursor
Authors: Zhang Meiqi , Grasset Fabien , Masubuchi Yuji , Shimada Toshihiro , Nguyen Thi Kim Ngan , Dumait Noée , Renaud Adèle , Cordier Stéphane , Berthebaud David , Halet Jean-François , Uchikoshi Tetsuo
Published: January 2023

The high-performance defect-rich MoS2 dominated by sulfur vacancies as well as Mo-rich environments have been extensively studied in many fields, such as nitrogen reduction reactions, hydrogen evolution reactions, as well as sensing devices for NH3, which are attributed to the under-coordinated Mo atoms playing a significant role as catalytic sites in the defect area. In this study, the Mo cluster-MoS2 composite was creatively synthesized through a one-step sulfurization process via H2/H2S gas flow. The Mo6 cluster iodides (MIs) coated on the fluorine-doped tin oxide (FTO) glass substrate via the electrophoretic deposition method (i.e., MI@FTO) were used as a precursor to form a thin-film nanocomposite. Investigations into the structure, reaction mechanism, and NH3 gas sensing performance were carried out in detail. The results indicated that during the gas flowing, the decomposed Mo6 cluster iodides played the role of template and precursor, forming complicated Mo cluster compounds and eventually producing MoS2. These Mo cluster-MoS2 thin-film nanocomposites were fabricated and applied as gas sensors for the first time. It turns out that after the sulfurization process, the response of MI@FTO for NH3 gas increased three times while showing conversion from p-type to n-type semiconductor, which enhances their possibilities for future device applications.
Conferring Antioxidant Activity to an Antibacterial and Bioactive Titanium Surface through the Grafting of a Natural Extract
Authors: Gamna Francesca , Yamaguchi Seiji , Cochis Andrea , Ferraris Sara , Kumar Ajay. , Rimondini Lia , Spriano Silvia
Published: January 2023

The main unmet medical need of bone implants is multifunctional activity, including their ability to induce rapid and physiological osseointegration, counteract bacterial biofilm formation, and prevent in situ chronic inflammation at the same time. This research starts from an already developed c.p. titanium surface with proven bioactive (in vitro hydroxyl apatite precipitation) and antibacterial activities, due to a calcium titanate layer with nano- and micro-scale roughness and loaded with iodine ions. Here, antioxidant ability was added to prevent chronic inflammation by grafting polyphenols of a green tea extract onto the surface, without compromising the other functionalities of the surface. The surface was characterized before and after functionalization through XPS analysis, zeta potential titrations, ion release measurements, in vitro bioactivity tests, SEM and fluorescence microscopy, and Folin–Ciocalteu and biological tests. The presence of grafted polyphenols as a homogeneous layer was proven. The grafted polyphenols maintained their antioxidant ability and were anchored to the surface through the linking action of Ca2+ ions added to the functionalizing solution. Iodine ion release, cytocompatibility towards human mesenchymal stem cells (hMSC), and antibacterial activity were maintained even after functionalization. The antioxidant ability of the functionalized surface was effective in preserving hMSC viability in a chemically induced pro-inflammatory environment, thus showing a scavenger activity towards toxic active species responsible for inflammation.
IoT and Blockchain Integration: Applications, Opportunities, and Challenges
Authors: Adhikari Naresh , Ramkumar Mahalingam
Published: January 2023

During the recent decade, two variants of evolving computing networks have augmented the Internet: (i) The Internet of Things (IoT) and (ii) Blockchain Network(s) (BCNs). The IoT is a network of heterogeneous digital devices embedded with sensors and software for various automation and monitoring purposes. A Blockchain Network is a broadcast network of computing nodes provisioned for validating digital transactions and recording the “well-formed” transactions in a unique data storage called a blockchain ledger. The power of a blockchain network is that (ideally) every node maintains its own copy of the ledger and takes part in validating the transactions. Integrating IoT and BCNs brings promising applications in many areas, including education, health, finance, agriculture, industry, and the environment. However, the complex, dynamic and heterogeneous computing and communication needs of IoT technologies, optionally integrated by blockchain technologies (if mandated), draw several challenges on scaling, interoperability, and security goals. In recent years, numerous models integrating IoT with blockchain networks have been proposed, tested, and deployed for businesses. Numerous studies are underway to uncover the applications of IoT and Blockchain technology. However, a close look reveals that very few applications successfully cater to the security needs of an enterprise. Needless to say, it makes less sense to integrate blockchain technology with an existing IoT that can serve the security need of an enterprise. In this article, we investigate several frameworks for IoT operations, the applicability of integrating them with blockchain technology, and due security considerations that the security personnel must make during the deployment and operations of IoT and BCN. Furthermore, we discuss the underlying security concerns and recommendations for blockchain-integrated IoT networks.