bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimization of Ultrasonic—Assisted Extraction (UAE) Method Using Natural Deep Eutectic Solvent (NADES) to Increase Curcuminoid Yield from Curcuma longa L., Curcuma xanthorrhiza, and Curcuma mangga Val.
Authors: Rosarina Desy , Narawangsa Dimas Rafi , Chandra Nabila Shaffa Rizky , Sari Eka , Hermansyah Heri
Published: September 2022

This study aims to optimize ultrasonic-assisted natural deep eutectic solvents (NADES) based extraction from C. longa. Choline chloride-lactic acid (CCLA-H2O = 1:1, b/v) was used to investigate the impact of various process parameters such as solvent’s water content, solid loading, temperature, and extraction time. The optimal yield of 79.635 mg/g of C. longa was achieved from extraction in 20% water content NADES with a 4% solid loading in 35 °C temperature for 1 h. Peleg’s model was used to describe the kinetics of the optimized ultrasonic-assisted extraction (UAE) method, and the results were found to be compatible with experimental data. The optimum conditions obtained from C. longa extraction were then used for the extraction of C. xanthorriza and C. mangga, which give yields of 2.056 and 31.322 mg/g, respectively. Furthermore, n-hexane was utilized as an anti-solvent in the separation process of curcuminoids extract from C. longa, C. xanthorriza, and C. mangga, which gave curcuminoid recovery of 39%, 0.74%, and 27%, respectively. Solidification of curcuminoids was also carried out using the crystallization method with n-hexane and isopropanol. However, the solution of CCLA and curcuminoids formed a homogeneous mixture with isopropanol. Hence, the curcuminoids could not be solidified due to the presence of NADES in the extract solution.
Programed Thermoresponsive Polymers with Cleavage-Induced Phase Transition
Authors: Kitayama Yukiya , Yazaki Yasumichi , Emoto Junya , Yuba Eiji , Harada Atsushi
Published: September 2022

A new programed upper critical solution temperature-type thermoresponsive polymer was developed using water-soluble anionic polymer conjugates derived from polyallylamine and phthalic acid with cleavage-induced phase transition property. Intrinsic charge inversion from anion to cation of the polymer side chain is induced through a side chain cleavage reaction in acidic aqueous media. With the progress of side chain cleavage under fixed external conditions, the polymer conjugates express a thermoresponsive property, followed by shifting a phase boundary due to the change in polymer composition. When the phase transition boundary eventually reached the examined temperature, phase transition occurs under fixed external conditions. Such new insight obtained in this study opens up the new concept of time-programed stimuli-responsive polymer possessing a cleavage-induced phase transition.
Magnetic Molecularly Imprinted Polymers for the Rapid and Selective Extraction and Detection of Methotrexatein Serum by HPLC-UV Analysis
Authors: Zhou Tingting , Deng Ziwen , Wang Qing , Li Hui , Li Shun , Xu Xuanming , Zhou Yusun , Sun Shukai , Xuan Chao , Tian Qingwu , Lun Limin
Published: September 2022

In this work, novel selective recognition materials, namely magnetic molecularly imprinted polymers (MMIPs), were prepared. The recognition materials were used as pretreatment materials for magnetic molecularly imprinted solid-phase extraction (MSPE) to achieve the efficient adsorption, selective recognition, and rapid magnetic separation of methotrexate (MTX) in the patients’ plasma. This method was combined with high-performance liquid chromatography–ultraviolet detection (HPLC–UV) to achieve accurate and rapid detection of the plasma MTX concentration, providing a new method for the clinical detection and monitoring of the MTX concentration. The MMIPs for the selective adsorption of MTX were prepared by the sol–gel method. The materials were characterized by transmission electron microscopy, Fourier transform-infrared spectrometry, X-ray diffractometry, and X-ray photoelectron spectrometry. The MTX adsorption properties of the MMIPs were evaluated using static, dynamic, and selective adsorption experiments. On this basis, the extraction conditions were optimized systematically. The adsorption capacity of MMIPs for MTX was 39.56 mgg−1, the imprinting factor was 9.40, and the adsorption equilibrium time was 60 min. The optimal extraction conditions were as follows: the amount of MMIP was 100 mg, the loading time was 120 min, the leachate was 8:2 (v/v) water–methanol, the eluent was 4:1 (v/v) methanol–acetic acid, and the elution time was 60 min. MTX was linear in the range of 0.00005–0.25 mg mL−1, and the detection limit was 12.51 ng mL−1. The accuracy of the MSPE–HPLC–UV method for MTX detection was excellent, and the result was consistent with that of a drug concentration analyzer.
High Tunable BaTixZr1-xO3 Films on Dielectric Substrate for Microwave Applications
Authors: Tumarkin Andrei , Sapego Evgeny , Gagarin Alexander , Karamov Artem
Published: September 2022

In this study, the structural and microwave properties of BaTiZrO3 films deposited on alumina substrate were investigated. The films were deposited by RF magnetron sputtering in Ar/O2 ambient atmosphere. The research of the island films at the initial stages of the growth showed that the pyramidal type of growth prevails. It was demonstrated that as-deposited film is a BaZrTiO3 solid solution with a deficiency of titanium compared to the target. The air annealing at temperatures of 1100–1200 °C leads to the formation of a well-formed crystalline solid solution of BaZr0.3Ti0.7O3 with a predominant orientation (h00). The investigation of microwave parameters of the films fabricated at different conditions showed that the best performance with the tunability of 4.6 (78%), and the Q-factor of 18 to 40 at 2 GHz was achieved at annealing temperature of 1150 °C.
Production of Salvianic Acid A from l-DOPA via Biocatalytic Cascade Reactions
Authors: Hu Ke Shun , Chen Chong Le , Ding Huan Ru , Wang Tian Yu , Zhu Qin , Zhou Yi Chen , Chen Jia Min , Mei Jia Qi , Hu Sheng , Huang Jun , Zhao Wei Rui , Mei Le He
Published: September 2022

Salvianic acid A (SAA), as the main bioactive component of the traditional Chinese herb Salvia miltiorrhiza, has important application value in the treatment of cardiovascular diseases. In this study, a two-step bioprocess for the preparation of SAA from l-DOPA was developed. In the first step, l-DOPA was transformed to 3,4-dihydroxyphenylalanine (DHPPA) using engineered Escherichia coli cells expressing membrane-bound L-amino acid deaminase from Proteus vulgaris. After that, the unpurified DHPPA was directly converted into SAA by permeabilized recombinant E. coli cells co-expressing d-lactate dehydrogenase from Pediococcus acidilactici and formate dehydrogenase from Mycobacterium vaccae N10. Under optimized conditions, 48.3 mM of SAA could be prepared from 50 mM of l-DOPA, with a yield of 96.6%. Therefore, the bioprocess developed here was not only environmentally friendly, but also exhibited excellent production efficiency and, thus, is promising for industrial SAA production.
Improved Stability of Blue Colour of Anthocyanins from Lycium ruthenicum Murr. Based on Copigmentation
Authors: Deng Kai , Ouyang Jian , Hu Na , Dong Qi , Chen Chao , Wang Honglun
Published: September 2022

Natural blue food colourant is rare. The aim of this work was to screen compounds from the common copigments that could improve the blue tones of anthocyanins (ACNs) and to investigate the effect of different copigments on the colour stability of anthocyanins in neutral species. International Commission on Illumination (CIE) colour space, UV, IR, NMR, atomic force microscopy (AFM) and computational chemistry methods were utilised to evaluate ACNs from Lycium ruthenicum Murr. (LR), which is complexed with food additives and biological agents. The results indicate that Pro−Xylane (PX), Ectoin (ECT) and dipotassium glycyrrhizinate (DG) enhance the blue colour of the ACNs. ACNs−PX presents a colour close to Oxford Blue and has a surface height of 2.13 ± 0.14 nm and slightly improved stability. The half−life of ACNs−DG is improved 24.5−fold and had the highest complexation energy (−50.63/49.15) kcal/mol, indicating hydrogen bonds and π−π stacking forces enhance stability. These findings offer a new perspective for anthocyanin utilisation as a blue colourant and contribute to the large−scale application of LR.
Triel Bond Formed by Malondialdehyde and Its Influence on the Intramolecular H-Bond and Proton Transfer
Authors: Wu Qiaozhuo , Yang Shubin , Li Qingzhong
Published: September 2022

Malondialdehyde (MDA) engages in a triel bond (TrB) with TrX3 (Tr = B and Al; X = H, F, Cl, and Br) in three modes, in which the hydroxyl O, carbonyl O, and central carbon atoms of MDA act as the electron donors, respectively. A H···X secondary interaction coexists with the TrB in the former two types of complexes. The carbonyl O forms a stronger TrB than the hydroxyl O, and both of them are better electron donors than the central carbon atom. The TrB formed by the hydroxyl O enhances the intramolecular H-bond in MDA and thus promotes proton transfer in MDA-BX3 (X = Cl and Br) and MDA-AlX3 (X = halogen), while a weakening H-bond and the inhibition of proton transfer are caused by the TrB formed by the carbonyl O. The TrB formed by the central carbon atom imposes little influence on the H-bond. The BH2 substitution on the central C-H bond can also realise the proton transfer in the triel-bonded complexes between the hydroxyl O and TrH3 (Tr = B and Al).
A Label-Free Fluorescence Aptasensor Based on G-Quadruplex/Thioflavin T Complex for the Detection of Trypsin
Authors: Gu Pan , Lu Yangfan , Li Shanni , Ma Changbei
Published: September 2022

A novel, label-free fluorescent assay has been developed for the detection of trypsin by using thioflavin T as a fluorescent probe. A specific DNA aptamer can be combined by adding cytochrome c. Trypsin hydrolyzes the cytochrome c into small peptide fragments, exposing the G-quadruplex part of DNA aptamer, which has a high affinity for thioflavin T, which then enhances the fluorescence intensity. In the absence of trypsin, the fluorescence intensity was inhibited as the combination of cytochrome c and the DNA aptamer impeded thioflavin T’s binding. Thus, the fluorescent biosensor showed a linear relationship from 0.2 to 60 μg/mL with a detection limit of 0.2 μg/mL. Furthermore, the proposed method was also successfully employed for determining trypsin in biological samples. This method is simple, rapid, cheap, and selective and possesses great potential for the detection of trypsin in bioanalytical and biological samples and medical diagnoses.
Uranium-Doped Zinc, Copper, and Nickel Oxides for Enhanced Catalytic Conversion of Furfural to Furfuryl Alcohol: A Relativistic DFT Study
Authors: Li Shuang , Hou Yu-Chang , Guo Yuan-Ru , Pan Qing-Jiang
Published: September 2022

Transition metal oxides (TMOs) and actinide ones (AnOs) have been widely applied in catalytic reactions due to their excellent physicochemical properties. However, the reaction pathway and mechanism, especially involving TM–An heterometallic centers, remain underexplored. In this respect, relativistic density functional theory (DFT) was used to examine uranium-doped zinc, copper, and nickel oxides for their catalytic activity toward the conversion of furfural to furfuryl alcohol. A comparison was made with their undoped TMOs. It was found that the three TMOs were capable of catalyzing the reaction, where the free energies of adsorption, hydrogenation, and desorption fell between −33.93 and 45.00 kJ/mol. The uranium doping extremely strengthened the adsorption of CuO-U and NiO-U toward furfural, making hydrogenation or desorption much harder. Intriguingly, ZnO-U showed the best catalytic performance among all six catalyst candidates, as its three reaction energies were very small (−10.54–8.12 kJ/mol). The reaction process and mechanism were further addressed in terms of the geometrical, bonding, charge, and electronic properties.
Impact of Cassava Starch Varieties on the Physiochemical Change during Enzymatic Hydrolysis
Authors: Cornejo Fabiola , Maldonado-Alvarado Pedro , Palacios-Ponce Sócrates , Hugo David , Rosell Cristina M.
Published: September 2022

The enzymatic modification of starch extends its industrial use to flavor delivery and probiotic encapsulants, among other uses. However, it is not known how starch from different cassava varieties responds to enzymatic hydrolysis. Starches from two Ecuadorian cassava varieties (INIAP 650, an edible starch, and INIAP 651, an industrial starch) were partially modified at three enzymatic hydrolysis degrees (0%, 30%, and 50%), and their physicochemical properties were assessed. The structural analysis revealed that both varieties showed progressive structural damage as hydrolysis increases, probably due to exo-hydrolysis. However, deeper pores were observed in INIAP 651 with the SEM analysis. The crystallinity percentage obtained by XRD analyses remained constant in INIAP 651 and decreased (by 26%) in INIAP 650 (p < 0.05). In addition, the amylose–lipid complex index in INIAP 650 remained constant, while INIAP 651 increased (p < 0.05) at 30% hydrolysis (by 93%). In both varieties, hydrolysis increased (p < 0.05) the water holding capacity (WHC) (by 10–14%) and the water binding capacity (WBC) (by 16%), but 50% hydrolysis of INIAP 650 was needed to significantly affect these properties. No differences were observed in the varieties’ thermal properties. Regarding the rheological properties, the variety did not influence the changes in the storage module (G′) and the loss modulus (G″) with the hydrolysis (p > 0.05). However, the phase angle decreased significantly (p < 0.05) with the hydrolysis, being higher in the INIAP 650 variety than in the INIAP 651 variety. In general, the results indicate that the variety affects the response of the starch granule to enzymatic hydrolysis (noticeable in the principal component analysis, PCA) and opens up the possibility to modulate starch properties.
Large-Area Ordered Palladium Nanostructures by Colloidal Lithography for Hydrogen Sensing
Authors: Xu Feng , Zhang Zhiliang , Ma Jun , Ma Churong , Guan Bai-Ou , Chen Kai
Published: September 2022

Reliable gas sensors are very important for hydrogen (H2) gas detection and storage. Detection methods based on palladium (Pd) metal are cost-effective and widely studied. When Pd is exposed to H2, it turns into palladium hydride with modified optical properties, which thus can be monitored for H2 sensing. Here, we fabricated large-area Pd nanostructures, including Pd nanotriangles and nanohole arrays, using colloidal lithography and systematically studied their H2-sensing performance. After hydrogen absorption, both the Pd nanoholes and nanotriangles showed clear transmittance changes in the visible–near infrared range, consistent with numerical simulation results. The influences of the structural parameters (period of the array P and diameter of the nanohole D) of the two structures are further studied, as different structural parameters can affect the hydrogen detection effect of the two structures. The nanohole arrays exhibited bigger transmittance changes than the nanotriangle arrays.
Synthesis and Biological Importance of 2-(thio)ureabenzothiazoles
Authors: Rosales-Hernández Martha Cecilia , Mendieta-Wejebe Jessica E. , Padilla-Martínez Itzia I. , García-Báez Efrén V. , Cruz Alejandro
Published: September 2022

The (thio)urea and benzothiazole (BT) derivatives have been shown to have a broad spectrum of biological activities. These groups, when bonded, result in the 2-(thio)ureabenzothizoles (TBT and UBT), which could favor the physicochemical and biological properties. UBTs and TBTs are compounds of great importance in medicinal chemistry. For instance, Frentizole is a UBT derivative used for the treatment of rheumatoid arthritis and systemic lupus erythematosus. The UBTs Bentaluron and Bethabenthiazuron are commercial fungicides used as wood preservatives and herbicides in winter corn crops. On these bases, we prepared this bibliography review, which covers chemical aspects of UBTs and TBTs as potential therapeutic agents as well as their studies on the mechanisms of a variety of pharmacological activities. This work covers synthetic methodologies from 1935 to nowadays, highlighting the most recent approaches to afford UBTs and TBTs with a variety of substituents as illustrated in 42 schemes and 13 figures and concluded with 187 references. In addition, this interesting review is designed on chemical reactions of 2-aminobenzothiazoles (2ABTs) with (thio)phosgenes, iso(thio)cyanates, 1,1′-(thio)carbonyldiimidazoles [(T)CDI]s, (thio)carbamoyl chlorides, and carbon disulfide. This topic will provide information of utility for medicinal chemists dedicated to the design and synthesis of this class of compounds to be tested with respect to their biological activities and be proposed as new pharmacophores.
Comprehensive Bioinformatics Analysis Combined with Wet-Lab Experiments to Find Target Proteins of Chinese Medicine Monomer
Authors: Xu Xiaohui , Zhu Yunyi , Yue Changling , Yang Qianwen , Zhang Zhaohuan
Published: September 2022

How to use bioinformatics methods to quickly and accurately locate the effective targets of traditional Chinese medicine monomer (TCM) is still an urgent problem needing to be solved. Here, we used high-throughput sequencing to identify the genes that were up-regulated after cells were treated with TCM monomers and used bioinformatics methods to analyze which transcription factors activated these genes. Then, the binding proteins of these transcription factors were analyzed and cross-analyzed with the docking proteins predicted by small molecule reverse docking software to quickly and accurately determine the monomer’s targets. Followeding this method, we predicted that the TCM monomer Daphnoretin (DT) directly binds to JAK2 with a binding energy of −5.43 kcal/mol, and activates the JAK2/STAT3 signaling transduction pathway. Subsequent Western blotting and in vitro binding and kinase experiments further validated our bioinformatics predictions. Our method provides a new approach for quickly and accurately locating the effective targets of TCM monomers, and we also have discovered for the first time that TCM monomer DT is an agonist of JAK2.
Zika Virus Inhibitors Based on a 1,3-Disubstituted 1H-Pyrazolo[3,4-d]pyrimidine-amine Scaffold
Authors: Jung Eunkyung , Soto-Acosta Ruben , Geraghty Robert J. , Chen Liqiang
Published: September 2022

To search for Zika virus (ZIKV) antivirals, we have further explored previously reported 7H-pyrrolo[2,3-d]pyrimidines by examining an alternative substitution pattern of their central scaffold, leading to compound 5 with low micromolar antiviral activity. To circumvent the synthetic difficulties associated with compound 5, we have exploited a 1H-pyrazolo[3,4-d]pyrimidine scaffold and performed structure-activity relationship studies on its peripheral rings A and B. While ring B is less sensitive to structural modifications, an electron-withdrawing group at the para position of ring A is preferred for enhanced antiviral activity. Overall, we have not only discovered an alternative substitution pattern centered on a 1H-pyrazolo[3,4-d]pyrimidine scaffold but also generated anti-ZIKV compounds including 6 and 13, which possess low micromolar antiviral activity and relatively low cytotoxicity. These compounds represent new chemotypes that will be further optimized in our continued efforts to discover anti-ZIKV agents.
Developing a Multimodal HMI Design Framework for Automotive Wellness in Autonomous Vehicles
Authors: Zheng Yaqi , Ren Xipei
Published: September 2022

With the development of autonomous technology, the research into multimodal human-machine interaction (HMI) for autonomous vehicles (AVs) has attracted extensive attention, especially in automotive wellness. To support the design of HMIs for automotive wellness in AVs, this paper proposes a multimodal design framework. First, three elements of the framework were envisioned based on the typical composition of an interactive system. Second, a five-step process for utilizing the proposed framework was suggested. Third, the framework was applied in a design education course for exemplification. Finally, the AttrakDiff questionnaire was used to evaluate these interactive prototypes with 20 participants who had an affinity for HMI design. The questionnaire responses showed that the overall impression was positive and this framework can help design students to effectively identify research gaps and expand design concepts in a systematic way. The proposed framework offers a design approach for the development of multimodal HMIs for autonomous wellness in AVs.
Promotional Effects on the Catalytic Activity of Co-Fe Alloy Supported on Graphitic Carbon for CO2 Hydrogenation
Authors: Jurca Bogdan , Peng Lu , Primo Ana , Gordillo Alvaro , Dhakshinamoorthy Amarajothi , Parvulescu Vasile I. , García Hermenegildo
Published: September 2022

Starting from the reported activity of Co-Fe nanoparticles wrapped onto graphitic carbon (Co-Fe@C) as CO2 hydrogenation catalysts, the present article studies the influence of a series of metallic (Pd, Ce, Ca, Ca, and Ce) and non-metallic (S in various percentages and S and alkali metals) elements as Co-Fe@C promoters. Pd at 0.5 wt % somewhat enhances CO2 conversion and CH4 selectivity, probably due to H2 activation and spillover on Co-Fe. At similar concentrations, Ce does not influence CO2 conversion but does diminish CO selectivity. A 25 wt % Fe excess increases the Fe-Co particle size and has a detrimental effect due to this large particle size. The presence of 25 wt % of Ca increases the CO2 conversion and CH4 selectivity remarkably, the effect being attributable to the CO2 adsorption capacity and basicity of Ca. Sulfur at a concentration of 2.1% or higher acts as a strong poison, decreasing CO2 conversion and shifting selectivity to CO. The combination of S and alkali metals as promoters maintain the CO selectivity of S but notably increase the CO2 conversion. Overall, this study shows how promoters and poisons can alter the catalytic activity of Co/Fe@C catalysts, changing from CH4 to CO. It is expected that further modulation of the activity of Co/Fe@C catalysts can serve to drive the activity and selectivity of these materials to any CO2 hydrogenation products that are wanted.
Synergy of Au–Pt for Enhancing Ethylene Photodegradation Performance of Flower-like TiO2
Authors: Meng Wanzhen , Zhao Yunrui , Dai Dujuan , Zhang Qianqian , Wang Zeyan , Liu Yuanyuan , Zheng Zhaoke , Cheng Hefeng , Dai Ying , Huang Baibiao , Wang Peng
Published: September 2022

Efficient and low-cost degradation of ethylene has always been a difficult problem in the storage and transportation of fruits and vegetables. Although photocatalysis is considered to be a feasible and efficient solution for ethylene degradation, the low degradation ability of conventional catalysts for small non-polar molecules limits its application. TiO2 has the advantage of tunable microstructure, but it also has the defects of wide band gap and low utilization of sunlight. The surface plasmon resonance (SPR) effect of noble metals can effectively improve the visible light absorption range of catalysts, and the synergy of noble metals further enhances the photocatalytic ability. Herein, we developed a series of AuPt catalysts through the photo-deposition method. Benefited from the SPR effect and the synergy of Au and Pt, the efficiency of AuPt–TiO2 was 19.9, 4.64 and 2.42 times that of TiO2, Au–TiO2 and Pt–TiO2, and the photocatalytic degradation ability of AuPt–TiO2 was maintained in five cyclic stability tests. Meanwhile, the transient photocurrent spectra and PL spectra proved that the light absorption capacity and carrier separation efficiency of AuPt–TiO2 were enhanced. This work provides a new direction for enhancing non-polar small-molecule photodegradation of semiconductors.
Optically-Induced Symmetry Switching in a Reconfigurable Kagome Photonic Lattice: From Flatband to Type-III Dirac Cones
Authors: Yu Qingsong , Liu Zhenzhi , Guo Dawei , Liang Shun , Zhang Yanpeng , Zhang Zhaoyang
Published: September 2022

We demonstrate the transition of band structure from flatband to type-III Dirac cones in an electromagnetically induced Kagome photonic lattice generated in a three-level Λ-type 85Rb atomic configuration both experimentally and theoretically. Such instantaneously reconfigurable Kagome photonic lattice with flatband is “written” by a strong coupling field possessing a Kagome intensity distribution, which can modulate the refractive index of atomic vapors in a spatially periodical manner under electromagnetically induced transparency. By introducing an additional one-dimensional periodic coupling field to cover any one set of the three inequivalent sublattices of the induced Kagome photonic lattice, the dispersion-less energy band can evolve into type-III Dirac cones with linear dispersion by easily manipulating the intensity of the one-dimensional field. Our results may pave a new route to engineer in situ reconfigurable photonic structures with type-III Dirac cones, which can act as promising platforms to explore the underlying physics and beam dynamics.
Independent Dual-Channel Approach to Mesoscopic Graphene Transistors
Authors: Sánchez Fernando , Sánchez Vicenta , Wang Chumin
Published: September 2022

Graphene field-effect transistors (GFETs) exhibit unique switch and sensing features. In this article, GFETs are investigated within the tight-binding formalism, including quantum capacitance correction, where the graphene ribbons with reconstructed armchair edges are mapped into a set of independent dual channels through a unitary transformation. A new transfer matrix method is further developed to analyze the electron transport in each dual channel under a back gate voltage, while the electronic density of states of graphene ribbons with transversal dislocations are calculated using the retarded Green’s function and a novel real-space renormalization method. The Landauer electrical conductance obtained from these transfer matrices was confirmed by the Kubo–Greenwood formula, and the numerical results for the limiting cases were verified on the basis of analytical results. Finally, the size- and gate-voltage-dependent source-drain currents in GFETs are calculated, whose results are compared with the experimental data.
Activated Carbon/ZnFe2O4 Nanocomposite Adsorbent for Efficient Removal of Crystal Violet Cationic Dye from Aqueous Solutions
Authors: Algarni Tahani Saad , Al-Mohaimeed Amal M. , Al-Odayni Abdel-Basit , Abduh Naaser A. Y.
Published: September 2022

The aim of this study was to investigate the potential advantage of ZnFe2O4-incorporated activated carbon (ZFAC), fabricated via a simple wet homogenization, on the removal of cationic dye crystal violet (CV) from its aqueous solutions. The as-prepared ZFAC nanocomposite was characterized using Fourier transform infrared (FTIR), X-ray diffraction (XRD), nitrogen adsorption, scanning electron microscope (SEM), thermogravimetric analysis (TGA), and ultraviolet–visible (UV–Vis). Batch adsorption operating conditions such as the pH (3–11), CV concentration (25–200 ppm), ZFAC dose (10–50 mg), temperature (23–45 °C), and contact time were evaluated. The results indicate pH-dependent uptake (optimum at pH 7.2) increased with temperature and CV concentration increase and decreased as adsorbent dose increased. Modeling of experimental data revealed better fit to the Langmuir than Freundlich and Temkin isotherms, with maximum monolayer capacities (Qm) of 208.29, 234.03, and 246.19 mg/g at 23, 35, and 45 °C, respectively. Kinetic studies suggest pseudo-second order; however, the intra-particle diffusion model indicates a rate-limiting step controlled by film diffusion mechanism. Based on the thermodynamic parameters, the sorption is spontaneous (−ΔG°), endothermic (+ΔH°), and random process (+ΔS°), and their values support the physical adsorption mechanism. In addition to the ease of preparation, the results confirm the potential of ZFAC as a purifier for dye removal from polluted water.
Morpho-Structural Investigations and Carbon Nanoclustering Effects in Cr-Al-C Intermetallic Alloys
Authors: Crisan Alina Daniela , Crisan Ovidiu
Published: September 2022

Intermetallic Cr-Al-C thin films from the 211 class of MAX phases were fabricated via ion beam deposition and structural investigations were undertaken to obtain information about morpho-structural effects propelled by carbon excess in the stoichiometry of the films. In order to promote the occurrence of the Cr2AlC MAX phase, the stoichiometric thin films were subsequently annealed at two temperature values: 650 °C and 700 °C in UHV conditions for 30 min. The morpho-structural effects in both as-deposited and annealed films were monitored using scanning electron microscopy, X-ray diffraction, and Raman spectroscopy. XRD analysis showed that the as-deposited sample was almost completely crystallized in the hexagonal Cr2AlC structure, with a remaining amorphous fraction of about 17%, most probably rich in carbon. Raman analysis allowed the identification of three spectral regions, two of them encompassing the Raman optical modes belonging to the Cr2AlC 211 MAX phase, while the third one gave strong evidence of highly intense and large D- and G-bands of carbon. Structural parameters such as the crystal lattice parameters as well as the volume of the crystal unit cell were found to decrease upon annealing; this decrease is attributed to the grain growth. The average crystallite dimension was proven to increase after annealing, while the lattice micro-strain lowered to approximately 63% in the annealed thin film compared to the as-deposited one. Well-formed and intense Raman peaks attributed to D- and G-bands of carbon were also observed and, corroborated with the structural data, seemed to indicate an overall increased level of crystal ordering as well as potential carbon nanoclustering after thermal treatments with thin Cr2AlC films. This observed phenomenon concords with previously documented reports on ab initio modelling of possible Cr2AlC structures with carbon excess.
Nanoparticle and Nanostructure Synthesis and Controlled Growth Methods
Authors: Harish Vancha , Ansari Md Mustafiz , Tewari Devesh , Gaur Manish , Yadav Awadh Bihari , García-Betancourt María-Luisa , Abdel-Haleem Fatehy M. , Bechelany Mikhael , Barhoum Ahmed
Published: September 2022

Nanomaterials are materials with one or more nanoscale dimensions (internal or external) (i.e., 1 to 100 nm). The nanomaterial shape, size, porosity, surface chemistry, and composition are controlled at the nanoscale, and this offers interesting properties compared with bulk materials. This review describes how nanomaterials are classified, their fabrication, functionalization techniques, and growth-controlled mechanisms. First, the history of nanomaterials is summarized and then the different classification methods, based on their dimensionality (0–3D), composition (carbon, inorganic, organic, and hybrids), origin (natural, incidental, engineered, bioinspired), crystal phase (single phase, multiphase), and dispersion state (dispersed or aggregated), are presented. Then, the synthesis methods are discussed and classified in function of the starting material (bottom-up and top-down), reaction phase (gas, plasma, liquid, and solid), and nature of the dispersing forces (mechanical, physical, chemical, physicochemical, and biological). Finally, the challenges in synthesizing nanomaterials for research and commercial use are highlighted.
pH-Driven Intracellular Nano-to-Molecular Disassembly of Heterometallic [Au2L2]{Re6Q8} Colloids (L = PNNP Ligand; Q = S2− or Se2−)
Authors: Faizullin Bulat , Dayanova Irina , Strelnik Igor , Kholin Kirill , Nizameev Irek , Gubaidullin Aidar , Voloshina Alexandra , Gerasimova Tatiana , Kashnik Ilya , Brylev Konstantin , Sibgatullina Guzel , Samigullin Dmitry , Petrov Konstantin , Musina Elvira , Karasik Andrey , Mustafina Asiya
Published: September 2022

The present work introduces a simple, electrostatically driven approach to engineered nanomaterial built from the highly cytotoxic [Au2L2]2+ complex (Au2, L = 1,5-bis(p-tolyl)−3,7-bis(pyridine-2-yl)−1,5-diaza-3,7-diphosphacyclooctane (PNNP) ligand) and the pH-sensitive red-emitting [{Re6Q8}(OH)6]4− (Re6-Q, Q = S2− or Se2−) cluster units. The protonation/deprotonation of the Re6-Q unit is a prerequisite for the pH-triggered assembly of Au2 and Re6-Q into Au2Re6-Q colloids, exhibiting disassembly in acidic (pH = 4.5) conditions modeling a lysosomal environment. The counter-ion effect of polyethylenimine causes the release of Re6-Q units from the colloids, while the binding with lysozyme restricts their protonation in acidified conditions. The enhanced luminescence response of Re6-S on the disassembly of Au2Re6-S colloids in the lysosomal environment allows us to determine their high lysosomal localization extent through the colocalization assay, while the low luminescence of Re6-Se units in the same conditions allows us to reveal the rapture of the lysosomal membrane through the use of the Acridine Orange assay. The lysosomal pathway of the colloids, followed by their endo/lysosomal escape, correlates with their cytotoxicity being on the same level as that of Au2 complexes, but the contribution of the apoptotic pathway differentiates the cytotoxic effect of the colloids from that of the Au2 complex arisen from the necrotic processes.
Magneto-Tactile Sensor Based on a Commercial Polyurethane Sponge
Authors: Bica Ioan , Iacobescu Gabriela-Eugenia , Chirigiu Larisa-Marina-Elisabeth
Published: September 2022

In this paper, we present the procedure for fabricating a new magneto-tactile sensor (MTS) based on a low-cost commercial polyurethane sponge, including the experimental test configuration, the experimental process, and a description of the mechanisms that lead to obtaining the MTS and its characteristics. It is shown that by using a polyurethane sponge, microparticles of carbonyl iron, ethanol, and copper foil with electroconductive adhesive, we can obtain a high-performance and low-cost MTS. With the experimental assembly described in this paper, the variation in time of the electrical capacity of the MTS was measured in the presence of a deforming force field, a magnetic field, and a magnetic field superimposed over a deformation field. It is shown that, by using an external magnetic field, the sensitivity of the MTS can be increased. Using the magnetic dipole model and linear elasticity approximation, the qualitative mechanisms leading to the reported results are described in detail.
Synthesis of Mesoporous Silica Adsorbent Modified with Mercapto–Amine Groups for Selective Adsorption of Cu2+ Ion from Aqueous Solution
Authors: Mane Sagar M. , Raorane Chaitany Jayprakash , Shin Jae Cheol
Published: September 2022

In a sol–gel co-condensation, a mesoporous silica hybrid integrated with (3-mercaptopropyl)trimethoxysilane (TMPSH) was prepared and then reacted with allylamine via a post-surface functionalization approach. Approximately 15 mol% of TMSPSH was introduced into the mesoporous silica pore walls along with tetraethyl orthosilicate. The mercapto ligands in the prepared mesoporous silica pore walls were then reacted with allylamine (AM) to form the mercapto–amine-modified mesoporous silica adsorbent (MSH@MA). The MSH@MA NPs demonstrate highly selective adsorption of copper (Cu2+) ions (~190 mg/g) with a fast equilibrium adsorption time (30 min). The prepared adsorbent shows at least a five times more efficient recyclable stability. The MSH@MA NPs adsorbent is useful for selective adsorption of Cu2+ ions.
Evolution Application of Two-Dimensional MoS2-Based Field-Effect Transistors
Authors: Wang Chunlan , Song Yongle , Huang Hao
Published: September 2022

High-performance and low-power field-effect transistors (FETs) are the basis of integrated circuit fields, which undoubtedly require researchers to find better film channel layer materials and improve device structure technology. MoS2 has recently shown a special two-dimensional (2D) structure and superior photoelectric performance, and it has shown new potential for next-generation electronics. However, the natural atomic layer thickness and large specific surface area of MoS2 make the contact interface and dielectric interface have a great influence on the performance of MoS2 FET. Thus, we focus on its main performance improvement strategies, including optimizing the contact behavior, regulating the conductive channel, and rationalizing the dielectric layer. On this basis, we summarize the applications of 2D MoS2 FETs in key and emerging fields, specifically involving logic, RF circuits, optoelectronic devices, biosensors, piezoelectric devices, and synaptic transistors. As a whole, we discuss the state-of-the-art, key merits, and limitations of each of these 2D MoS2-based FET systems, and prospects in the future.
Architecting Nanostructured Co-BTC@GO Composites for Supercapacitor Electrode Application
Authors: Chen Tianen , Yang Allen , Zhang Wei , Nie Jinhui , Wang Tingting , Gong Jianchao , Wang Yuanhao , Ji Yaxiong
Published: September 2022

Herein, we present an innovative graphene oxide (GO)-induced strategy for synthesizing GO-based metal-organic-framework composites (Co-BTC@GO) for high-performance supercapacitors. 1,3,5-Benzene tricarboxylic acid (BTC) is used as an inexpensive organic ligand for the synthesis of composites. An optimal GO dosage was ascertained by the combined analysis of morphology characterization and electrochemical measurement. The 3D Co-BTC@GO composites display a microsphere morphology similar to that of Co-BTC, indicating the framework effect of Co-BTC on GO dispersion. The Co-BTC@GO composites own a stable interface between the electrolyte and electrodes, as well as a better charge transfer path than pristine GO and Co-BTC. A study was conducted to determine the synergistic effects and electrochemical behavior of GO content on Co-BTC. The highest energy storage performance was achieved for Co-BTC@GO 2 (GO dosage is 0.02 g). The maximum specific capacitance was 1144 F/g at 1 A/g, with an excellent rate capability. After 2000 cycles, Co-BTC@GO 2 maintains outstanding life stability of 88.1%. It is expected that this material will throw light on the development of supercapacitor electrodes that hold good electrochemical properties.
Resonant Lasing Emission in Undoped and Mg-Doped Gallium Nitride Thin Films on Interfacial Periodic Patterned Sapphire Substrates
Authors: Xu Long , Cao Yuehan , Song Tianwei , Xu Caixia
Published: September 2022

In this work, low-threshold resonant lasing emission was investigated in undoped and Mg-doped GaN thin films on interfacial designed sapphire substrates. The scattering cross-section of the periodic resonant structure was evaluated by using the finite difference time domain (FDTD) method and was found to be beneficial for reducing the threshold and enhancing the resonant lasing emission within the periodic structures. Compared with undoped and Si-doped GaN thin films, p-type Mg-doped GaN thin films demonstrated a better lasing emission performance. The lasing energy level system and defect densities played vital roles in the lasing emission. This work is beneficial to the realization of multifunctional applications in optoelectronic devices.
Atomistic Simulation of the Ion-Assisted Deposition of Silicon Dioxide Thin Films
Authors: Grigoriev F. V. , Sulimov V. B. , Tikhonravov A. V.
Published: September 2022

A systematic study of the most significant parameters of the ion-assisted deposited silicon dioxide films is carried out using the classical molecular dynamics method. The energy of the deposited silicon and oxygen atoms corresponds to the thermal evaporation of the target; the energy of the assisting oxygen ions is 100 eV. It is found that an increase in the flow of assisting ions to approximately 10% of the flow of deposited atoms leads to an increase in density and refractive index by 0.5 g/cm3 and 0.1, respectively. A further increase in the flux of assisting ions slightly affects the film density and density profile. The concentration of point defects, which affect the optical properties of the films, and stressed structural rings with two or three silicon atoms noticeably decrease with an increase in the flux of assisting ions. The film growth rate somewhat decreases with an increase in the assisting ions flux. The dependence of the surface roughness on the assisting ions flux is investigated. The anisotropy of the deposited films, due to the difference in the directions of motion of the deposited atoms and assisting ions, is estimated using the effective medium approach.
Carbon Nanostructure/Zeolite Y Composites as Supports for Monometallic and Bimetallic Hydrocracking Catalysts
Authors: Saab Roba , Polychronopoulou Kyriaki , Anjum Dalaver H. , Charisiou Nikolaos , Goula Maria A. , Hinder Steven J. , Baker Mark A. , Schiffer Andreas
Published: September 2022

In this study, we examine the effect of integrating different carbon nanostructures (carbon nanotubes, CNTs, graphene nanoplatelets, GNPs) into Ni- and Ni-W-based bi-functional catalysts for hydrocracking of heptane performed at 400 °C. The effect of varying the SiO2/Al2O3 ratio of the zeolite Y support (between 5 and 30) on the heptane conversion is also studied. The results show that the activity, in terms of heptane conversion, followed the order CNT/Ni-ZY5 (92%) > GNP/Ni-ZY5 (89%) > CNT/Ni-W-ZY30 (86%) > GNP/Ni-W-ZY30 (85%) > CNT/Ni-ZY30 (84%) > GNP/Ni-ZY30 (83%). Thus, the CNT-based catalysts exhibited slightly higher heptane conversion as compared to the GNP-based ones. Furthermore, bimetallic (Ni-W) catalysts possessed higher BET surface areas (725 m2/g for CNT/Ni-W-ZY30 and 612 m2/g for CNT/Ni-ZY30) and exhibited enhanced hydrocracking activity as compared to the monometallic (Ni) catalyst with the same zeolite support and type of carbon structure. It was also shown that CNT-based catalysts possessed higher regeneration capability than their GNP-based counterparts due to the slightly higher thermal stability of the CVD-grown CNTs.
Markov-Based Malware Propagation Modeling and Analysis in Multi-Layer Networks
Authors: Karageorgiou Stavros , Karyotis Vasileios
Published: September 2022

In this paper, we focus on the dynamics of the spread of malicious software (malware) in multi-layer networks of various types, e.g., cyber-physical systems. Recurring malware has been one of the major challenges in modern networks, and significant research and development has been dedicated to mitigating it. The majority of relevant works has focused on networks characterized by “flat” topologies, namely topologies in which all nodes consist of a single layer, studying the dynamics of propagation of a specific threat or various types of malware over a homogeneous topology. As cyber-physical systems and multi-layer networks in general are gaining in popularity and penetration, more targeted studies are needed. In this work, we focus on the propagation dynamics of recurring malware, namely Susceptible–Infected–Susceptible (SIS type) in multi-layer topologies consisting of combinations of two different types of networks, e.g., a small-world overlaying a random geometric, or other such combinations. We utilize a stochastic modeling framework based on Markov Random Fields for analyzing the propagation dynamics of malware over such networks. Through analysis and simulation, we discover the most vulnerable and the most robust topology among the six considered combinations, as well as a result of rather practical use, namely that the denser the network, the more flexibility it provides for malware mitigation eventually.
Temporal Profile of Reactive Astrocytes after Ischemic Stroke in Rats
Authors: Stadler Justin , Schurr Harrison , Doyle David , Garmo Lucas , Srinageshwar Bhairavi , Spencer Marc R. , Petersen Robert B. , Dunbar Gary L. , Rossignol Julien
Published: September 2022

Ischemic stroke is a debilitating neurological disease most commonly resulting from an occlusion within the cerebral vasculature. Ischemia/reperfusion injury is oftentimes a consequence of stroke, characterized by oxidative stress, neuroinflammation, and the activation of surrounding glial cells following restoration of blood supply. Astrocytes are regarded as the most prominent glial cell in the brain and, under pathologic conditions, display, among other pathologies, activated (GFAP) relatively proportional to the degree of reactivity. The primary objective of the study was to determine the temporal profile of astrocyte reactivity following ischemic stroke. Thirty-four Sprague-Dawley rats were assigned to surgery consisting of either 90-min middle cerebral artery occlusion (MCAo) or sham surgery. Animals were sub-grouped by postoperative euthanization day; 2 days (n = 10), 4 days (n = 11), and 7 days (n = 13). Fluorescence microscopy and densitometry were utilized to quantify GFAP immunoreactivity, which indicated a non-linear relationship following ischemia/reperfusion. Results demonstrated substantially higher GFAP levels in MCAo groups than in sham, with peak GFAP reactivity being shown in the brains of rats euthanized on day 4. These findings are applicable to future research, especially in the investigation of interventions that target reactive astrocytes following ischemic injury.
Agroecological Management and Increased Grain Legume Area Needed to Meet Nitrogen Reduction Targets for Greenhouse Gas Emissions
Authors: Squire Geoffrey R. , Young Mark W. , Hawes Cathy
Published: September 2022

The nitrogen applied (N-input) to cropping systems supports a high yield but generates major environmental pollution in the form of greenhouse gas (GHG) emissions and losses to land and water (N-surplus). This paper examines the scope to meet both GHG emission targets and zero N-surplus in high-intensity, mainly cereal, cropping in a region of the Atlantic zone in Europe. A regional survey provides background to crops grown at an experimental farm platform over a run of 5 years. For three main cereal crops under standard management (mean N-input 154 kg ha−1), N-surplus remained well above zero (single year maximum 55% of N-input, five-year mean 27%), but was reduced to near zero by crop diversification (three cereals, one oilseed and one grain legume) and converted to a net nitrogen gain (+39 kg ha−1, 25 crop-years) by implementing low nitrification management in all fields. Up-scaling N-input to the agricultural region indicated the government GHG emissions target of 70% of the 1990 mean could only be met with a combination of low nitrification management and raising the proportion of grain legumes from the current 1–2% to at least 10% at the expense of high-input cereals. Major strategic change in the agri-food system of the region is therefore needed to meet GHG emissions targets.
A Comprehensive and Comparative Metabolomic Study of Two Nutraceutical-Containing Plants; Moringa oleifera and Solanum lycopersicum: A Review
Authors: Mokgehle Tebogo Mphatlalala , Ndou Dakalo , Madala Ntakadzeni Edwin , Tavengwa Nikita Tawanda
Published: September 2022

Solanum lycopersicum and Moringa oleifera are two essential nutraceutical-containing plants from two different families, and are sources of abundant metabolites. They have a variety of applications in medicines, functional food additives and even water purification. This review aims to complement earlier reviews by comparing the metabolite profiles and modern-day pharmacological relevance of both plants. The metabolome of Moringa oleifera was compared to that of Solanum lycopersicum, to evaluate the common metabolites found within the two plants and how these compounds can be used for same pharmacological and nutritional benefits. While these plants contain similar metabolites, they also contain different compounds of the same class that differ in terms of their biological functions. In such instances, Moringa oleifera and Solanum lycopersicum may have similar applications, but remain distinguishable from each other in terms of pharmacological potential.