bluuebunny/crossref_metadata_2025 huggingface dataset:
A Compact and Low-Profile Curve-Feed Complementary Split-Ring Resonator Microwave Sensor for Solid Material Detection
Authors: Al-Gburi Ahmed Jamal Abdullah , Zakaria Zahriladha , Abd Rahman Norhanani , Alam Syah , Said Maizatul Alice Meor
Published: February 2023

A compact and low-profile curve-feed complementary split-ring resonator (CSRR) microwave sensor for solid material detection is presented in this article. The curve-feed CSRR sensor was developed based on the CSRR configuration with triple rings (TRs) designed together, utilizing a high-frequency structure simulator (HFSS) microwave studio. The designed curve-feed CSRR sensor resonates at 2.5 GHz, performs in transmission mode, and senses shift in frequency. Four varieties of the sample under tests (SUTs) were simulated and measured. These SUTs are Air (without SUT), Roger 5880, Roger 4350, FR4, and detailed sensitivity analysis is being performed for the resonant band at 2.5 GHz. The finalized CSRR curve-feed sensor was integrated with defective ground structure (DGS) to deliver high-performance characteristics in microstrip circuits, which leads to a high Q-factor magnitude. The presented curve-feed sensor has a Q-factor of 520 at 2.5 GHz, with high sensitivity of about 1.072. The relationship between loss tangent, permittivity, and Q-factor at the resonant frequency has been compared and discussed. These disseminated outcomes make the suggested sensor ideal for characterizing solid materials.
Surface Nanotexturing of Boron-Doped Diamond Films by Ultrashort Laser Pulses
Authors: Mastellone Matteo , Bolli Eleonora , Valentini Veronica , Orlando Stefano , Lettino Antonio , Polini Riccardo , Buijnsters Josephus , Bellucci Alessandro , Trucchi Daniele
Published: February 2023

Polycrystalline boron-doped diamond (BDD) films were surface nanotextured by femtosecond pulsed laser irradiation (100 fs duration, 800 nm wavelength, 1.44 J cm−2 single pulse fluence) to analyse the evolution of induced alterations on the surface morphology and structural properties. The aim was to identify the occurrence of laser-induced periodic surface structures (LIPSS) as a function of the number of pulses released on the unit area. Micro-Raman spectroscopy pointed out an increase in the graphite surface content of the films following the laser irradiation due to the formation of ordered carbon sites with respect to the pristine sample. SEM and AFM surface morphology studies allowed the determination of two different types of surface patterning: narrow but highly irregular ripples without a definite spatial periodicity or long-range order for irradiations with relatively low accumulated fluences (<14.4 J cm−2) and coarse but highly regular LIPSS with a spatial periodicity of approximately 630 nm ± 30 nm for higher fluences up to 230.4 J cm−2.
Selective Sensing of Mixtures of Gases with CMOS-SOI-MEMS Sensor Dubbed GMOS
Authors: Krayden Adir , Shlenkevitch Dima , Blank Tanya , Stolyarova Sara , Nemirovsky Yael
Published: February 2023

The need to achieve digital gas sensing technology, namely, a technology to sense and transmit gas-enabled digital media, has been recognized as highly challenging. This challenge has motivated the authors to focus on complementary metal oxide semiconductor silicon on insulator micro electro-mechanical system (CMOS-SOI-MEMS) technologies, and the result is a new pellistor-like sensor, dubbed GMOS, with integrated signal processing. In this study, we describe the performance of such sensors for the selective detection of mixtures of gases. The novel key ideas of this study are: (i) the use of the GMOS for gas sensing; (ii) applying the Kalman filter to improve the signal-to-noise ratio; (iii) adding artificial intelligence (AI) with tiny edge approach.
Exhaled Biomarkers for Point-of-Care Diagnosis: Recent Advances and New Challenges in Breathomics
Authors: Kiss Helga , Örlős Zoltán , Gellért Áron , Megyesfalvi Zsolt , Mikáczó Angéla , Sárközi Anna , Vaskó Attila , Miklós Zsuzsanna , Horváth Ildikó
Published: February 2023

Cancers, chronic diseases and respiratory infections are major causes of mortality and present diagnostic and therapeutic challenges for health care. There is an unmet medical need for non-invasive, easy-to-use biomarkers for the early diagnosis, phenotyping, predicting and monitoring of the therapeutic responses of these disorders. Exhaled breath sampling is an attractive choice that has gained attention in recent years. Exhaled nitric oxide measurement used as a predictive biomarker of the response to anti-eosinophil therapy in severe asthma has paved the way for other exhaled breath biomarkers. Advances in laser and nanosensor technologies and spectrometry together with widespread use of algorithms and artificial intelligence have facilitated research on volatile organic compounds and artificial olfaction systems to develop new exhaled biomarkers. We aim to provide an overview of the recent advances in and challenges of exhaled biomarker measurements with an emphasis on the applicability of their measurement as a non-invasive, point-of-care diagnostic and monitoring tool.
CMOS Radio Frequency Energy Harvester (RFEH) with Fully On-Chip Tunable Voltage-Booster for Wideband Sensitivity Enhancement
Authors: Li Yizhi , Rajendran Jagadheswaran , Mariappan Selvakumar , Rawat Arvind Singh , Sal Hamid Sofiyah , Kumar Narendra , Othman Masuri , Nathan Arokia
Published: February 2023

Radio frequency energy harvesting (RFEH) is one form of renewable energy harvesting currently seeing widespread popularity because many wireless electronic devices can coordinate their communications via RFEH, especially in CMOS technology. For RFEH, the sensitivity of detecting low-power ambient RF signals is the utmost priority. The voltage boosting mechanisms at the input of the RFEH are typically applied to enhance its sensitivity. However, the bandwidth in which its sensitivity is maintained is very poor. This work implements a tunable voltage boosting (TVB) mechanism fully on-chip in a 3-stage cross-coupled differential drive rectifier (CCDD). The TVB is designed with an interleaved transformer architecture where the primary winding is implemented to the rectifier, while the secondary winding is connected to a MOSFET switch that tunes the inductance of the network. The TVB enables the sensitivity of the rectifier to be maintained at 1V DC output voltage with a minimum deviation of −2 dBm across a wide bandwidth of 3 to 6 GHz of 5G New Radio frequency (5GNR) bands. A DC output voltage of 1 V and a peak PCE of 83% at 3 GHz for −23 dBm input power are achieved. A PCE of more than 50% can be maintained at the sensitivity point of 1 V with the aid of TVB. The proposed CCDD-TVB mechanism enables the CMOS RFEH to be operated for wideband applications with optimum sensitivity, DC output voltage, and efficiency.
Numerical Simulation of Motion and Distribution Characteristics for Electrospray Droplets
Authors: Jiang Jiaxin , Qian Zunxu , Wang Xiang , Chen Huatan , Kang Guoyi , Liu Yifang , Zheng Gaofeng , Li Wenwang
Published: February 2023

Electrospray is a typical technology to prepare large amounts of droplets at micro/nano scale. Establishing the relationship between the processing parameters and the motion and distribution characteristics for electrospray droplets is an effective approach to guide the uniform deposition of the electrospray membrane. In this paper, a dynamic model of electrospray droplets based on the fully resolved direct numerical simulation (FR-DNS) method was constructed, and the spatial motion behaviors of charged droplets were simulated. The coupling effect of electric field force, the charge repulsive force, and the gravity on the motion and distribution of electrospray droplets was studied, and the relationship between processing parameters including the applied voltage and distance from the nozzle to the collecting plate and the spatial distribution of charged droplets was clarified in a direct way. The simulation model provided a good approach for the quantitative description of the motion and distribution behaviors for electrospray droplets, which would help to guide the control of the electrospray jet ejection process.
Study of the Effect of Cell Prestress on the Cell Membrane Penetration Behavior by Atomic Force Microscopy
Authors: Zhang Guocheng , Chang Yufang , Fan Na , Yan Bin , Li Xianmeng , Yang Zihan , Yu Zhenyang
Published: February 2023

In recent years, atomic force microscopes have been used for cell transfection because of their high-precision micro-indentation mode; however, the insertion efficiency of the tip of AFM into cells is extremely low. In this study, NIH3T3 mouse fibroblast cells cultured on a flexible dish with micro-groove patterns were subjected to various substrate strains at 5%, 10%, 15%, and 20%. It was found that the cell stiffness depends on the prestress of the cell membrane, and that the insertion rate of AFM tips into the cell membrane is proportional to the stiffness through the AFM indentation experiment. The finite element analysis proves that prestress increases the bending stiffness of the cytoskeleton, allowing it to better support the cell membrane, which realizes the stress concentration in the contact area between the AFM tip and the cell membrane. The results indicate that the prestress contributes to the mechanical properties of the cell and suggest that the insertion efficiency could be greatly improved with an increase of the prestress of the cell membrane.
Preconcentration of Fluorescent Dyes in Electromembrane Systems via Electrophoretic Migration
Authors: Kim Minsung , Kim Bumjoo
Published: February 2023

Microfluidic preconcentration enables the collection or extraction of low-abundance analytes at specific locations. It has attracted considerable attention as an essential technology in bioengineering, particularly for detection and diagnosis. Herein, we investigated the key parameters in the preconcentration of fluorescent dyes based on electrophoresis in a microfluidic electromembrane system. Commercial ion-exchange membrane (IEM)-integrated polydimethylsiloxane microfluidic devices were fabricated, and Alexa Fluor 488 and Rhodamine 6G were used as fluorescent dyes for sample preconcentration. Through experimental studies, the effect of the channel concentration ratio (CCR, concentration ratio of the main and buffer channels) on the performance of the sample preconcentration was studied. The results show that the preconcentration of the target sample occurs more effectively for a high CCR or high salt concentration of the main channel when the CCR is constant. We also demonstrate a phenomenon that the salt concentration in the electrolyte solution increases as the preconcentration progresses. Our results provide consolidated conditions for electrophoresis-based sample preconcentration in electromembrane systems.
A 3C-SiC-on-Insulator-Based Integrated Photonic Platform Using an Anodic Bonding Process with Glass Substrates
Authors: Li Jiayang , Poon Andrew W.
Published: February 2023

Various crystalline silicon carbide (SiC) polytypes are emerging as promising photonic materials due to their wide bandgap energies and nonlinear optical properties. However, their wafer forms cannot readily provide a refractive index contrast for optical confinement in the SiC layer, which makes it difficult to realize a SiC-based integrated photonic platform. In this paper, we demonstrate a 3C-SiC-on-insulator (3C-SiCoI)-based integrated photonic platform by transferring the epitaxial 3C-SiC layer from a silicon die to a borosilicate glass substrate using anodic bonding. By fine-tuning the fabrication process, we demonstrated nearly 100% area transferring die-to-wafer bonding. We fabricated waveguide-coupled microring resonators using sulfur hexafluoride (SF6)-based dry etching and demonstrated a moderate loaded quality (Q) factor of 1.4 × 105. We experimentally excluded the existence of the photorefractive effect in this platform at sub-milliwatt on-chip input optical power levels. This 3C-SiCoI platform is promising for applications, including large-scale integration of linear, nonlinear and quantum photonics.
Single-Well Push–Pull Tracer Test Analyses to Determine Aquifer Reactive Transport Parameters at a Former Uranium Mill Site (Grand Junction, Colorado)
Authors: Johnson Raymond H. , Paradis Charles J. , Kent Ronald D. , Tigar Aaron D. , Reimus Paul W.
Published: February 2023

At a former uranium mill site where tailings have been removed, prior work has determined several potential ongoing secondary uranium sources. These include locations with uranium sorbed to organic carbon, uranium in the unsaturated zone, and uranium associated with the presence of gypsum. To better understand uranium mobility controls at the site, four single-well push–pull tests (with a drift phase) were completed with the goal of deriving aquifer flow and contaminant transport parameters for inclusion in a future sitewide reactive transport model. This goes beyond the traditional use of a constant sorption distribution coefficient (Kd) and allows for the evaluation of alternative remedial injection fluids, which can produce variable Kd values. Dispersion was first removed from the resulting data to determine possible reactions before conducting reactive transport simulations. These initial analyses indicated the potential need to include cation exchange, uranium sorption, and gypsum dissolution. A reactive transport model using multiple layers to account for partially penetrating wells was completed using the PHT-USG reactive transport modeling code and calibrated using PEST. The model results quantify the hydraulic conductivity and dispersion parameters using the injected tracer concentrations. Uranium sorption, cation exchange, and gypsum dissolution parameters were quantified by comparing the simulated versus observed geochemistry. All simulations required some cation exchange and calcite equilibrium, and one simulation required gypsum dissolution to improve the model fit for calcium and sulfate. Uranium sorption parameters were not strongly influenced by the other parameter values but were highly influenced by uranium concentrations during the drift phase, with possible kinetic rate limitations. Thus, a future recommendation for such push–pull tests is to collect more geochemical data during the drift phase. The final uranium sorption parameters were within the range of values determined from prior column testing. The flow and transport parameters derived from these single-well push–pull tests will provide initial parameters for any future sitewide reactive transport model.
Synthesis and Optical Properties of a Series of Push-Pull Dyes Based on Pyrene as the Electron Donor
Authors: Bui Thanh-Tuân , Péralta Sébastien , Dumur Frédéric
Published: February 2023

Fifteen push-pull dyes comprising the tetracyclic polyaromatic pyrene have been designed and synthesized. The optical properties of the fifteen dyes have been examined in twenty-two solvents of different polarities. Surprisingly, contrarily to what is classically observed for push-pull dyes of D-π-A structures, a negative solvatochromism could be found for numerous dyes. The photoluminescence and thermal properties of the dyes were also examined. Theoretical calculations were carried out to support the experimental results.
Identification of New L-Fucosyl and L-Galactosyl Amides as Glycomimetic Ligands of TNF Lectin Domain of BC2L-C from Burkholderia cenocepacia
Authors: Mazzotta Sarah , Antonini Giulia , Vasile Francesca , Gillon Emilie , Lundstrøm Jon , Varrot Annabelle , Belvisi Laura , Bernardi Anna
Published: February 2023

The inhibition of carbohydrate-lectin interactions is being explored as an efficient approach to anti adhesion therapy and biofilm destabilization, two alternative antimicrobial strategies that are being explored against resistant pathogens. BC2L-C is a new type of lectin from Burkholderia cenocepacia that binds (mammalian) fucosides at the N-terminal domain and (bacterial) mannosides at the C-terminal domain. This double carbohydrate specificity allows the lectin to crosslink host cells and bacterial cells. We have recently reported the design and generation of the first glycomimetic antagonists of BC2L-C, β-C- or β-N-fucosides that target the fucose-specific N-terminal domain (BC2L-C-Nt). The low water solubility of the designed N-fucosides prevented a full examination of this promising series of ligands. In this work, we describe the synthesis and biophysical evaluation of new L-fucosyl and L-galactosyl amides, designed to be water soluble and to interact with BC2L-C-Nt. The protein–ligand interaction was investigated by Saturation Transfer Difference NMR, Isothermal Titration Calorimetry and crystallographic studies. STD-NMR experiments showed that both fucosyl and galactosyl amides compete with α-methyl fucoside for lectin binding. A new hit compound was identified with good water solubility and an affinity for BC2L-C-Nt of 159 μM (ITC), which represents a one order of magnitude gain over α-methyl fucoside. The x-ray structure of its complex with BC2L-C-Nt was solved at 1.55 Å resolution.
Synthesis of Novel 1-Oxo-2,3,4-trisubstituted Tetrahydroisoquinoline Derivatives, Bearing Other Heterocyclic Moieties and Comparative Preliminary Study of Anti-Coronavirus Activity of Selected Compounds
Authors: Kandinska Meglena I. , Burdzhiev Nikola T. , Cheshmedzhieva Diana V. , Ilieva Sonia V. , Grozdanov Peter P. , Vilhelmova-Ilieva Neli , Nikolova Nadya , Lozanova Vesela V. , Nikolova Ivanka
Published: February 2023

A series of novel 1-oxo-2,3,4-trisubstituted tetrahydroisoquinoline (THIQ) derivatives bearing other heterocyclic moieties in their structure were synthesized based on the reaction between homophthalic anhydride and imines. Initial studies were carried out to establish the anti-coronavirus activity of some of the newly obtained THIQ-derivatives against two strains of human coronavirus-229E and OC-43. Their antiviral activity was compared with that of their close analogues, piperidinones and thiomorpholinones, previously synthesized in our group, with aim to expand the range of the tested representative sample and to obtain valuable preliminary information about biological properties of a wider variety of compounds.
Organometallic Chemistry within the Structured Environment Provided by the Macrocyclic Cores of Carbaporphyrins and Related Systems
Authors: Lash Timothy D.
Published: February 2023

The unique environment within the core of carbaporphyrinoid systems provides a platform to explore unusual organometallic chemistry. The ability of these structures to form stable organometallic derivatives was first demonstrated for N-confused porphyrins but many other carbaporphyrin-type systems were subsequently shown to exhibit similar or complementary properties. Metalation commonly occurs with catalytically active transition metal cations and the resulting derivatives exhibit widely different physical, chemical and spectroscopic properties and range from strongly aromatic to nonaromatic and antiaromatic species. Metalation may trigger unusual, highly selective, oxidation reactions. Alkyl group migration has been observed within the cavity of metalated carbaporphyrins, and in some cases ring contraction of the carbocyclic subunit takes place. Over the past thirty years, studies in this area have led to multiple synthetic routes to carbaporphyrinoid ligands and remarkable organometallic chemistry has been reported. An overview of this important area is presented.
Effect of Wide-Spectrum Monochromatic Lights on Growth, Phytochemistry, Nutraceuticals, and Antioxidant Potential of In Vitro Callus Cultures of Moringa oleifera
Authors: Bajwa Muhammad Naeem , Khanum Mehnaz , Zaman Gouhar , Ullah Muhammad Asad , Farooq Umar , Waqas Muhammad , Ahmad Nisar , Hano Christophe , Abbasi Bilal Haider
Published: February 2023

Moringa oleifera, also called miracle tree, is a pharmaceutically important plant with a multitude of nutritional, medicinal, and therapeutic attributes. In the current study, an in-vitro-based elicitation approach was used to enhance the commercially viable bioactive compounds in an in vitro callus culture of M. oleifera. The callus culture was established and exposed to different monochromatic lights to assess the potentially interactive effects on biomass productions, biosynthesis of pharmaceutically valuable secondary metabolites, and antioxidant activity. Optimum biomass production (16.7 g/L dry weight), total phenolic contents (TPC: 18.03 mg/g), and flavonoid contents (TFC: 15.02 mg/g) were recorded in callus cultures placed under continuous white light (24 h), and of other light treatments. The highest antioxidant activity, i.e., ABTS (550.69 TEAC µM) and FRAP (365.37 TEAC µM), were also noted under white light (24 h). The analysis of phytochemicals confirmed the significant impact of white light exposures on the enhanced biosynthesis of plant secondary metabolites. The enhanced levels of secondary metabolites, i.e., kaempferol (1016.04 µg/g DW), neochlorogenic acid (998.38 µg/g DW), quercetin (959.92 µg/g DW), and minor compounds including luteolin, apigenin, and p-coumaric acid were observed as being highest in continuous white light (24 h with respect to the control (photoperiod). Similarly, blue light enhanced the chlorogenic acid accumulation. This study shows that differential spectral lights demonstrate a good approach for the enhancement of nutraceuticals along with novel pharmacologically important metabolites and antioxidants in the in vitro callus culture of M. oleifera.
Intraspecific Variability of Stinging Nettle (Urtica dioica L.)
Authors: Koczkodaj Sylwia , Przybył Jarosław L. , Kosakowska Olga , Węglarz Zenon , Bączek Katarzyna B.
Published: February 2023

The purpose of the work was to determine the intraspecific variability of the stinging nettle, in respect of the mass of leaves and their chemical composition, including the content of phenolic compounds and assimilative pigments. The objects of the study were 10 populations of nettle, originating from the eastern and southern part of Poland. The results obtained indicate a high level of variability between and within the populations investigated but not strictly related to their geographical locations. The mass of the leaves ranged from 0.19 to 0.28 kg dry weight (DW)/plant (Coefficient of variation (CV) = 16.33%). Using HPLC–DAD, four phenolic acids were detected, i.e., caffeoylmalic (570.97–1367.40 mg/100 g DW), chlorogenic (352.79–1070.83 mg/100 g DW), neochlorogenic (114.56–284.77 mg/100 g DW) and cichoric (58.31–189.52 mg/100 g DW) acids, with the last one differentiating populations to the highest degree (CV = 48.83%). All of the analyzed populations met the requirements of the European Pharmacopoeia (Ph Eur 10th) concerning the minimum content of caffeoylmalic and chlorogenic acids in nettle leaves (not less than 0.3%). Within the flavonoid fraction, two compounds were identified, namely rutoside (917.05–1937.43 mg/100 g DW, CV = 21.32%) and hyperoside (42.01–289.45 mg/100 g DW; CV = 55.26%). The level of chlorophyll a ranged from 3.82 to 4.49 mg/g DW, chlorophyll b from 1.59 to 2.19 mg/g DW, while the content of carotenoids varied from 2.34 to 2.60 mg/100 g DW. Given all the traits investigated, the level of a population’s polymorphism (CV) was visibly higher within a population than between populations. Population no. 4 was distinguished by the highest mass of leaves, and the highest content of rutoside, while population no. 2 was distinguished by the highest content of hyperoside, caffeoylmalic and chlorogenic acid.
Recent Advances in Well-Designed Therapeutic Nanosystems for the Pancreatic Ductal Adenocarcinoma Treatment Dilemma
Authors: Yang Xiao-Yan , Lu Yuan-Fei , Xu Jian-Xia , Du Yong-Zhong , Yu Ri-Sheng
Published: February 2023

Pancreatic ductal adenocarcinoma (PDAC) is a highly malignant tumor with an extremely poor prognosis and low survival rate. Due to its inconspicuous symptoms, PDAC is difficult to diagnose early. Most patients are diagnosed in the middle and late stages, losing the opportunity for surgery. Chemotherapy is the main treatment in clinical practice and improves the survival of patients to some extent. However, the improved prognosis is associated with higher side effects, and the overall prognosis is far from satisfactory. In addition to resistance to chemotherapy, PDAC is significantly resistant to targeted therapy and immunotherapy. The failure of multiple treatment modalities indicates great dilemmas in treating PDAC, including high molecular heterogeneity, high drug resistance, an immunosuppressive microenvironment, and a dense matrix. Nanomedicine shows great potential to overcome the therapeutic barriers of PDAC. Through the careful design and rational modification of nanomaterials, multifunctional intelligent nanosystems can be obtained. These nanosystems can adapt to the environment’s needs and compensate for conventional treatments’ shortcomings. This review is focused on recent advances in the use of well-designed nanosystems in different therapeutic modalities to overcome the PDAC treatment dilemma, including a variety of novel therapeutic modalities. Finally, these nanosystems’ bottlenecks in treating PDAC and the prospect of future clinical translation are briefly discussed.
Removal of Methylene Blue from Water Using Magnetic GTL-Derived Biosolids: Study of Adsorption Isotherms and Kinetic Models
Authors: Zuhara Shifa , Pradhan Snigdhendubala , Zakaria Yahya , Shetty Akshath , McKay Gordon
Published: February 2023

Global waste production is significantly rising with the increase in population. Efforts are being made to utilize waste in meaningful ways and increase its economic value. This research makes one such effort by utilizing gas-to-liquid (GTL)-derived biosolids, a significant waste produced from the wastewater treatment process. To understand the surface properties, the biosolid waste (BS) that is activated directly using potassium carbonate, labelled as KBS, has been characterized using scanning electron microscopy and energy dispersive X-ray spectroscopy (SEM-EDS), X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction (XRD), and Brunauer–Emmett–Teller (BET). The characterization shows that the surface area of BS increased from 0.010 to 156 m2/g upon activation. The EDS and XPS results show an increase in the metal content after activation (especially iron); additionally, XRD revealed the presence of magnetite and potassium iron oxide upon activation. Furthermore, the magnetic field was recorded to be 0.1 mT using a tesla meter. The magnetic properties present in the activated carbon show potential for pollutant removal. Adsorption studies of methylene blue using KBS show a maximum adsorption capacity of 59.27 mg/g; the adsorption process is rapid and reaches equilibrium after 9 h. Modelling using seven different isotherm and kinetic models reveals the best fit for the Langmuir-Freundlich and Diffusion-chemisorptionmodels, respectively. Additional thermodynamic calculations conclude the adsorption system to be exothermic, spontaneous, and favoring physisorption.
The Group Contribution to the Function Derived from Density and Speed-of-Sound Measurements for Glymes in N,N-Dimethylformamide + Water Mixtures
Authors: Jóźwiak Małgorzata , Komudzińska Marlena , Tyczyńska Magdalena
Published: February 2023

The density and speed of sound of pentaglyme and hexaglyme in the N,N-dimethylformamide + water mixture at four temperatures are presented. The limiting apparent molar volumes (VΦ,m0=Vm0), the isobaric molar thermal expansion (Ep,m0), the isentropic compressibility (κS), and the limiting partial molar isentropic compression (KS,Φ,m0 = KS,m0) were calculated. Changes in the values obtained from the physicochemical parameters, as functions of composition and temperature, were analyzed in terms of the molecular interactions and structural differentiation of the investigated systems. The hydrophobic hydration process of the studied glymes was visible in the area of high water content in the mixture. The hydration number of glymes in water at four temperatures was calculated and analyzed. The contribution of the –CH2– and –O– group to the functions describing the volume and acoustic properties of the investigated system was calculated. The calculated values of the functions analyzed using the group contribution are in agreement with the values obtained from the experimental data. Thus, such contributions are valuable for wide ranges of data, which can be used to analyze the hydrophobic hydration and preferential solvation processes, as well as to calculate the values of these functions for other similar compounds.
Study on the Comprehensive Phytochemicals and the Anti-Ulcerative Colitis Effect of Saussurea pulchella
Authors: Liu Yunhe , Wang Caixia , Wu Junzhe , Tan Luying , Gao Peng , Wu Sinuo , Tang Daohao , Wang Qianyun , Wang Cuizhu , Li Pingya , Liu Jinping
Published: February 2023

Background: Saussurea pulchella (SP) is a traditional medicinal plant that is widely used in folk medicine because of its diverse biological activities, particularly its anti-inflammatory effects. However, the alleviation effect of SP on ulcerative colitis (UC) has not yet been realized. Purpose: To investigate the chemical composition and therapeutic effect of SP extract against UC. Methods: First, qualitative and quantitative analysis of SP 75% ethanol extract was performed by UPLC-Q/TOF-MS. Second, a dextran sodium sulfate (DSS) model of UC mice was developed to study the effects of SP on the symptoms, inflammatory factors, oxidative stress indexes and colon histopathology. Third, an integration of network pharmacology with metabolomics was performed to investigate the key metabolites, biological targets and metabolisms closely related to the effect of SP. Results: From the SP ethanol extract, 149 compounds were identified qualitatively and 20 were determined quantitatively. The SP could dose-dependently decrease the DAI score, spleen coefficient and the levels of TNF-α, IL-6, iNOS, MPO and MDA; increase the colon length, GSH level and SOD activity; and protect the intestinal barrier in the UC mice. Moreover, 10 metabolite biomarkers,18 targets and 5 metabolisms were found to play crucial roles in the treatment of UC with SP. Conclusions: SP 75% ethanol extract could effectively alleviate the progression of UC and, therefore, could be classified as a novel natural treatment for UC.
ALP-Based Biosensors Employing Electrodes Modified with Carbon Nanomaterials for Pesticides Detection
Authors: Gianvittorio Stefano , Gualandi Isacco , Tonelli Domenica
Published: February 2023

Due to the growing presence of pesticides in the environment and in food, the concern of their impact on human health is increasing. Therefore, the development of fast and reliable detection methods is needed. Enzymatic inhibition-based biosensors represent a good alternative for replacing the more complicated and time-consuming traditional methods (chromatography, spectrophotometry, etc.). This paper describes the development of an electrochemical biosensor exploiting alkaline phosphatase as the biological recognition element and a chemically modified glassy carbon electrode as the transducer. The biosensor was prepared modifying the GCE surface by a mixture of Multi-Walled-Carbon-Nanotubes (MWCNTs) and Electrochemically-Reduced-Graphene-Oxide (ERGO) followed by the immobilization of the enzyme by cross-linking with bovine serum albumin and glutaraldehyde. The inhibition of the biosensor response caused by pesticides was established using 2-phospho-L-ascorbic acid as the enzymatic substrate, whose dephosphorylation reaction produces ascorbic acid (AA). The MWCNTs/ERGO mixture shows a synergic effect in terms of increased sensitivity and decreased overpotential for AA oxidation. The response of the biosensor to the herbicide 2,4-dichloro-phenoxy-acetic-acid was evaluated and resulted in the concentration range 0.04–24 nM, with a limit of the detection of 16 pM. The determination of other pesticides was also achieved. The re-usability of the electrode was demonstrated by performing a washing procedure.
Linear-Shaped Low-Bandgap Asymmetric Conjugated Donor Molecule for Fabrication of Bulk Heterojunction Small-Molecule Organic Solar Cells
Authors: Abdullah  , Lee Sei-Jin , Park Jong Bae , Kim Yang Soo , Shin Hyung-Shik , Kotta Ashique , Siddiqui Qamar Tabrez , Lee Youn-Sik , Seo Hyung-Kee
Published: February 2023

A linear–shaped small organic molecule (E)-4-(5-(3,5-dimethoxy-styryl)thiophen-2-yl)-7-(5″-hexyl-[2,2′:5′,2″-terthiophen]-5-yl)benzo[c][1,2,5]thiadiazole (MBTR) comprising a benzothiadiazole (BTD) acceptor linked with the terminal donors bithiophene and dimethoxy vinylbenzene through a π-bridge thiophene was synthesized and analyzed. The MBTR efficiently tuned the thermal, absorption, and emission characteristics to enhance the molecular packing and aggregation behaviors in the solid state. The obtained optical bandgap of 1.86 eV and low-lying highest occupied molecular orbital (HOMO) level of −5.42 eV efficiently lowered the energy losses in the fabricated devices, thereby achieving enhanced photovoltaic performances. The optimized MBTR:PC71BM (1:2.5 w/w%) fullerene-based devices showed a maximum power conversion efficiency (PCE) of 7.05%, with an open-circuit voltage (VOC) of 0.943 V, short-circuit current density (JSC) of 12.63 mA/cm2, and fill factor (FF) of 59.2%. With the addition of 3% 1,8-diiodooctane (DIO), the PCE improved to 8.76% with a high VOC of 1.02 V, JSC of 13.78 mA/cm2, and FF of 62.3%, which are associated with improved charge transport at the donor/acceptor interfaces owing to the fibrous active layer morphology and favorable phase separation. These results demonstrate that the introduction of suitable donor/acceptor groups in molecular design and device engineering is an effective approach to enhancing the photovoltaic performances of organic solar cells.
Metal-Assisted Complexation of Fluorogenic Dyes by Cucurbit[7]uril and Cucurbit[8]uril: A DFT Evaluation of the Key Factors Governing the Host–Guest Recognition
Authors: Kircheva Nikoleta , Dobrev Stefan , Dasheva Lyubima , Nikolova Valya , Angelova Silvia , Dudev Todor
Published: February 2023

With the emergence of host-guest systems, a novel branch of complexation chemistry has found wide application in industries such as food, pharmacy, medicine, environmental protection and cosmetics. Along with the extensively studied cyclodextrins and calixarenes, the innovative cucurbiturils (CB) have enjoyed increased popularity among the scientific community as they possess even better qualities as cavitands as compared to the former molecules. Moreover, their complexation abilities could further be enhanced with the assistance of metal cations, which can interestingly exert a dual effect on the complexation process: either by competitively binding to the host entity or cooperatively associating with the CB@guest structures. In our previous work, two metal species (Mg2+ and Ga3+) have been found to bind to CB molecules in the strongest fashion upon the formation of host–guest complexes. The current study focuses on their role in the complex formation with three dye molecules: thiazole orange, neutral red, and thioflavin T. Various key factors influencing the process have been recognized, such as pH and the dielectric constant of the medium, the cavity size of the host, Mn+ charge, and the presence/absence of hydration shell around the metal cation. A well-calibrated DFT methodology, solidly based and validated and presented in the literature experimental data, is applied. The obtained results shed new light on several aspects of the cucurbituril complexation chemistry.
Effective Removal of Sulfonamides Using Recyclable MXene-Decorated Bismuth Ferrite Nanocomposites Prepared via Hydrothermal Method
Authors: Sanga Pascaline , Wang Juanjuan , Li Xin , Chen Jia , Qiu Hongdeng
Published: February 2023

Developing a simple and efficient method for removing organic micropollutants from aqueous systems is crucial. The present study describes the preparation and application, for the first time, of novel MXene-decorated bismuth ferrite nanocomposites (BiFeO3/MXene) for the removal of six sulfonamides including sulfadiazine (SDZ), sulfathiazole (STZ), sulfamerazine (SMZ), sulfamethazine (SMTZ), sulfamethoxazole (SMXZ) and sulfisoxazole (SXZ). The properties of BiFeO3/MXene are enhanced by the presence of BiFeO3 nanoparticles, which provide a large surface area to facilitate the removal of sulfonamides. More importantly, BiFeO3/MXene composites demonstrated remarkable sulfonamide adsorption capabilities compared to pristine MXene, which is due to the synergistic effect between BiFeO3 and MXene. The kinetics and isotherm models of sulfonamide adsorption on BiFeO3/MXene are consistent with a pseudo-second-order kinetics and Langmuir model. BiFeO3/MXene had appreciable reusability after five adsorption–desorption cycles. Furthermore, BiFeO3/MXene is stable and retains its original properties upon desorption. The present work provides an effective method for eliminating sulfonamides from water by exploiting the excellent texture properties of BiFeO3/MXene.
Characterization of Biological Properties of Individual Phenolamides and Phenolamide-Enriched Leaf Tomato Extracts
Authors: Roumani Marwa , Ropars Armelle , Robin Christophe , Duval Raphaël E. , Frippiat Jean-Pol , Boisbrun Michel , Larbat Romain
Published: February 2023

Resistance to conventional treatments renders urgent the discovery of new therapeutic molecules. Plant specialized metabolites such as phenolamides, a subclass of phenolic compounds, whose accumulation in tomato plants is mediated by the biotic and abiotic environment, constitute a source of natural molecules endowed with potential antioxidant, antimicrobial as well as anti-inflammatory properties. The aim of our study was to investigate whether three major phenolamides found in Tuta absoluta-infested tomato leaves exhibit antimicrobial, cytotoxic and/or anti-inflammatory properties. One of them, N1,N5,N14-tris(dihydrocaffeoyl)spermine, was specifically synthesized for this study. The three phenolamides showed low to moderate antibacterial activities but were able to counteract the LPS pro-inflammatory effect on THP-1 cells differentiated into macrophages. Extracts made from healthy but not T. absoluta-infested tomato leaf extracts were also able to reduce inflammation using the same cellular approach. Taken together, these results show that phenolamides from tomato leaves could be interesting alternatives to conventional drugs.
A Liquid Chromatography Tandem Mass Spectrometry Method for the Simultaneous Estimation of the Dopamine Receptor Antagonist LE300 and Its N-methyl Metabolite in Plasma: Application to a Pharmacokinetic Study
Authors: Hefnawy Mohamed M. , Attwa Mohamed W. , Alzamil Adeeba A. , El-Gendy Manal A. , El-Azab Adel S. , Jardan Yousef A. Bin , El-Gamal Ali A.
Published: February 2023

LE300 is a novel dopamine receptor antagonist used to treat cocaine addiction. In the current study, a sensitive and fast liquid chromatography–tandem mass spectrometry (LC-MS/MS) has been established and validated for the simultaneous analysis of LE300 and its N-methyl metabolite, MLE300, in rat plasma with an application in a pharmacokinetic study. The chromatographic elution of LE300, MLE300, and Ponatinib (IS, internal standard), was carried out on a 50 mm C18 analytical column (ID: 2.1 mm and particle size: 1.8 μm) maintained at 22 ± 2 °C. The run time was 5 min at a flow rate of 0.3 mL/min. The mobile phase consisted of 42% aqueous solvent (10 mM ammonium formate, pH: 4.2 with formic acid) and 58% organic solvent (acetonitrile). Plasma samples were pretreated using protein precipitation with acetonitrile. The electrospray ionization (ESI) source was used to generate an ion-utilizing positive mode. A multiple reaction monitoring mass analyzer mode was utilized for the quantification of analytes. The linearity of the calibration curves in rat plasma ranged from 1 to 200 ng/mL (r2 = 0.9997) and from 2 to 200 ng/mL (r2 = 0.9984) for LE300 and MLE300, respectively. The lower limits of detection (LLOD) were 0.3 ng/mL and 0.7 ng/mL in rat plasma for LE300 and MLE300, respectively. Accuracy (RE%) ranged from −1.71% to −0.07% and −4.18% to −1.48% (inter-day), and from −3.3% to −1.47% and −4.89% to −2.15% (intra-day) for LE300 and MLE300, respectively. The precision (RSD%) was less than 2.43% and 1.77% for the inter-day, and 2.77% and 1.73% for intra-day of LE300 and MLE300, respectively. These results are in agreement with FDA guidelines. The developed LC-MS/MS method was applied in a pharmacokinetic study in Wistar rats. Tmax and Cmax were 2 h and 151.12 ± 12.5 ng/mL for LE300, and 3 h and 170.4 ± 23.3 ng/mL for MLE300.
An All-Solid-State Flexible Supercapacitor Based on MXene/MSA Ionogel and Polyaniline Electrode with Wide Temperature Range, High Stability, and High Energy Density
Authors: Pan Feng , Wang Shuang , Yong Zhipeng , Wang Xiaodong , Li Chenglong , Liang Dan , Wang Xiaorui , Sun Han , Cui Yinghe , Wang Zhe
Published: February 2023

In this study, an ionogel electrolyte (PAIM-X) consisting of 1-vinyl-3-methylimidazole bis (trifluoromethyl sulfonyl) imide ([VMIM][TFSI]), Polyacrylamide (PAAm), and MXene were prepared. The conductivity of PAIM-X and integral area of the voltammetric curve of the supercapacitor (PAIMSC) were improved by adding MXene. The addition of [VMIM][TFSI] enhanced the conductivity and applicable temperature of the ionogel electrolyte. At 90 °C, the conductivity of PAIM-4 can reach 36.4 mS/cm. In addition, spherical polyaniline with good electrochemical properties was synthesized and coated on graphite paper as an active substance. An all-solid-state supercapacitor was composed of PAIM-4, polyaniline electrode with 1.2 V potential window, pseudo-capacitors and high quality capacitors. The solvent 1-ethyl-3-methylimidazolium bis (trifluoromethyl sulfonyl imide) ([EMIM][TFSI]) and methanesulfonic acid (MSA) were introduced into the ionogel to promote the redox reaction of polyaniline (PANI). The mass specific capacitance of PAIMSC was 204.6 F/g and its energy density could reach 40.92 Wh/kg, which shows great potential for practical application at high temperature. The device had good rate performance and cycle performance, and its capacitance retention rate was still 91.56% after 10,000 cycles. In addition, the supercapacitor can work within the temperature range of −20 °C to 90 °C. These excellent electrochemical properties indicate that PAAm/IL/Mxene-X has broad application space and prospect.
Silver Nanoshells with Optimized Infrared Optical Response: Synthesis for Thin-Shell Formation, and Optical/Thermal Properties after Embedding in Polymeric Films
Authors: Lermusiaux Laurent , Roach Lucien , Lehtihet Moncef , Plissonneau Marie , Bertry Laure , Buissette Valérie , Le Mercier Thierry , Duguet Etienne , Drisko Glenna L. , Leng Jacques , Tréguer-Delapierre Mona
Published: February 2023

We describe a new approach to making ultrathin Ag nanoshells with a higher level of extinction in the infrared than in the visible. The combination of near-infrared active ultrathin nanoshells with their isotropic optical properties is of interest for energy-saving applications. For such applications, the morphology must be precisely controlled, since the optical response is sensitive to nanometer-scale variations. To achieve this precision, we use a multi-step, reproducible, colloidal chemical synthesis. It includes the reduction of Tollens’ reactant onto Sn2+-sensitized silica particles, followed by silver-nitrate reduction by formaldehyde and ammonia. The smooth shells are about 10 nm thick, on average, and have different morphologies: continuous, percolated, and patchy, depending on the quantity of the silver nitrate used. The shell-formation mechanism, studied by optical spectroscopy and high-resolution microscopy, seems to consist of two steps: the formation of very thin and flat patches, followed by their guided regrowth around the silica particle, which is favored by a high reaction rate. The optical and thermal properties of the core-shell particles, embedded in a transparent poly(vinylpyrrolidone) film on a glass substrate, were also investigated. We found that the Ag-nanoshell films can convert 30% of the power of incident near-infrared light into heat, making them very suitable in window glazing for radiative screening from solar light.
Polyindole Embedded Nickel/Zinc Oxide Nanocomposites for High-Performance Energy Storage Applications
Authors: Humayun Huriya , Begum Bushra , Bilal Salma , Shah Anwar ul Haq Ali , Röse Philipp
Published: February 2023

Conducting polymers integrated with metal oxides create opportunities for hybrid capacitive electrodes. In this work, we report a one-pot oxidative polymerization for the synthesis of integrated conductive polyindole/nickel oxide (PIn/NiO), polyindole/zinc oxide (PIn/ZnO), and polyindole/nickel oxide/zinc oxide (PNZ). The polymers were analyzed thoroughly for their composition and physical as well as chemical properties by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), ultraviolet–visible spectroscopy (UV–Vis), and thermogravimetric analysis (TGA). The PIn and its composites were processed into electrodes, and their use in symmetrical supercapacitors in two- and three-electrode setups was evaluated by cyclic voltammetry (CV), galvanostatic discharge (GCD), and electrochemical impedance spectroscopy (EIS). The best electrochemical charge storage capability was found for the ternary PNZ composite. The high performance directly correlates with its uniformly shaped nanofibrous structure and high crystallinity. For instance, the symmetrical supercapacitor fabricated with PNZ hybrid electrodes shows a high specific capacitance of 310.9 F g−1 at 0.5 A g−1 with an energy density of 42.1 Wh kg−1, a power density of 13.2 kW kg−1, and a good cycling stability of 78.5% after 5000 cycles. This report presents new electrode materials for advanced supercapacitor technology based on these results.
Design and Preparation of Flexible Graphene/Nonwoven Composites with Simultaneous Broadband Absorption and Stable Properties
Authors: Bi Song , Song Yongzhi , Hou Genliang , Li Hao , Yang Nengjun , Liu Zhaohui
Published: February 2023

As the world moves into the 21st century, the complex electromagnetic wave environment is receiving widespread attention due to its impact on human health, suggesting the critical importance of wearable absorbing materials. In this paper, graphene nonwoven (RGO/NW) composites were prepared by diffusely distributing graphene sheets in a polypropylene three-dimensional framework through Hummers’ method. Moreover, based on the Jaumann structural material design concept, the RGO/NW composite was designed as a multilayer microwave absorber, with self-recovery capability. It achieves effective absorption (reflection loss of −10 dB) in the 2~18 GHz electromagnetic wave frequency domain, exhibiting a larger bandwidth than that reported in the literature for absorbers of equivalent thickness. In addition, the rationally designed three-layer sample has an electromagnetic wave absorption of over 97% (reflection loss of −15 dB) of the bandwidth over 14 GHz. In addition, due to the physical and chemical stability of graphene and the deformation recovery ability of nonwoven fabric, the absorber also shows good deformation recovery ability and stable absorption performance. This broadband absorption and extreme environmental adaptability make this flexible absorber promising for various applications, especially for personnel wearable devices.