bluuebunny/crossref_metadata_2025 huggingface dataset:
Resilient Supply Chain Optimization Considering Alternative Supplier Selection and Temporary Distribution Center Location
Authors: Wang Na , Chen Jingze , Wang Hongfeng
Published: September 2023

The global supply chain is facing huge uncertainties due to potential emergencies, and the disruption of any link may threaten the security of the supply chain. This paper considers a disruption scenario in which supply disruption and distribution center failure occur simultaneously from the point of view of the manufacturer. A resilient supply chain optimization model is developed based on a combination of proactive and reactive defense strategies, including manufacturer’s raw material mitigation inventory, preference for temporary distribution center locations, and product design changes, with the objective of obtaining maximum expected profit. The proposed stochastic planning model with demand uncertainty is approximated as a mixed integer linear programming model using Latin hypercube sampling (LHS), sample average approximation (SAA), and scenario reduction (SR) methods. In addition, an improved genetic algorithm (GA) is also developed to determine the approximate optimal solution. The algorithm ensures the feasibility of the solution and improves the solving efficiency through specific heuristic repair strategies. Numerical experiments are conducted to verify the application and advantages of the proposed disruption recovery model and approach. The experimental results show that the proposed resilient supply chain optimization model can effectively reduce the recovery cost of manufacturers after disruption, and the proposed approach performs well in dealing with related problems.
Characterization and Applications of the Pectin Extracted from the Peel of Passiflora tripartita var. mollissima
Authors: Rentería-Ortega Minerva , Colín-Alvarez María de Lourdes , Gaona-Sánchez Víctor Alfonso , Chalapud Mayra C. , García-Hernández Alitzel Belém , León-Espinosa Erika Berenice , Valdespino-León Mariana , Serrano-Villa Fatima Sarahi , Calderón-Domínguez Georgina
Published: September 2023

The inadequate management of organic waste and excessive use of plastic containers cause damage to the environment; therefore, different studies have been carried out to obtain new biomaterials from agricultural subproducts. The objective of this work was to evaluate the feasibility of using the pectin extracted from the peel of Passiflora tripartita var. mollissima (PT), characterizing its type and viability for the production of edible biodegradable films. In addition, films of two thicknesses (23.45 ± 3.02 µm and 53.34 ± 2.28 µm) were prepared. The results indicated that PT is an excellent raw material for the extraction of pectin, with high yields (23.02 ± 0.02%), high galacturonic acid content (65.43 ± 2.241%), neutral sugars (ribose, xylose, glucose) and a high degree of esterification (76.93 ± 1.65%), classifying it as a high-methoxy pectin. Regarding the films, they were malleable and flexible, with a water vapor permeability from 2.57 × 10−10 ± 0.046 to 0.13 × 10−10 ± 0.029 g/s mPa according to thickness, being similar to other Passiflora varieties of edible films. The pectin extraction yield from PT makes this fruit a promising material for pectin production and its chemical composition a valuable additive for the food and pharmaceutical industries.
Dimensional Transformation of Percolation Structure in Mixed-Matrix Membranes (MMMs)
Authors: Grekhov Alexey , Eremin Yury
Published: September 2023

A large number of studies of mixed-matrix membranes (MMMs) have confirmed the possibility of obtaining new materials with unique transport properties, including for solving specific problems in the separation of mixtures of liquids and gases. The choice of particles with a given affinity for the matrix and separable components allows researchers to adjust the selective properties of MMMs in a wide range, which changes the properties of MMMs in a wide range. However, even within the framework of the most complex percolation mechanism of the formation of the MMM structure, it is possible to explain only some of the observed effects. In particular, questions about the required particle concentration and fluctuation of properties in various MMM samples are still the subject of research. The results of the numerical modeling of such structures presented in this paper determined the possible causes of the observed deviations of the experimental results, for example, particle size dispersion, agglomeration, and interaction with the matrix. According to our research, the key factor that qualitatively changes the parameters of percolation structures is the ratio of the geometric dimensions of the system. We have confirmed in a wide range a significant change in the conditions of cluster formation and its power at different particle diameters and lengths (traditional parameters in percolation studies). But in our work, we additionally studied the effect on the cluster parameters of the interfacial layer and the anisotropy of the matrix (the transition from the cube to the film). The results obtained show that changing the parameters of the matrix–particle interaction affects agglomeration, and the degradation of the percolation structure is possible. That is, with an increase in concentration, the parameters of the percolation cluster, its power, and the probability of formation, may decrease. But even more negative changes in percolation structures are observed during the transition from a volumetric matrix to films. The anisotropy of space leads to the formation of percolation through the film in certain areas at low concentrations of particles. At the same time, in a significant part of the matrix, percolation between the film surfaces will be absent, and the effect of changing the properties of MMMs in the matrix as a whole decreases. Our study explains the observed instability of MMM properties at fixed concentrations and parameters of embedded particles, including the effect of reducing the influence of particles with increasing concentration.
A Study of the Dynamic Mechanical Properties of Q460D Steel
Authors: Huang Bo , Lin Li , Xu Tianli , Xiao Xinke , Wang Jiuqiang
Published: September 2023

The dynamic mechanical properties of Q460D steel were studied to facilitate an assessment of the impact resistance of building structures. In the present work, material performance tests of Q460D steel at different temperatures, strain rates, and stress states were conducted. Using a hybrid experimental–numerical approach, a modified Johnson–Cook (JC) constitutive relation, a modified Johnson–Cook (JC) fracture criterion, and a lode-dependent fracture criterion were calibrated. To validate the calibration, Taylor impact tests of Q460D steel rods onto rigid target plates were carried out in a one-stage light-gas gun system. Mushrooming, tensile splitting, and petalling failure modes were obtained as the impact velocity was increased from 191.6 to 422.1 m/s. A three-dimensional finite element model was built for the Taylor impact tests, and FE simulations were run using the material models calibrated. It was found that the FE simulations using the lode-dependent fracture criterion were reasonable in terms of the failure modes of the Taylor rods. In contrast, the fracture behavior of the Taylor rods was significantly underestimated using the lode-independent JC fracture criterion. Finally, the effect of anisotropy, strain rate sensitivity and yield plateau on the Taylor impact FE predictions were explored and discussed.
Long Sump Life Effects of a Naturally Aged Bio-Ester Oil Emulsion on Tool Wear in Finish Turning a Ni-Based Superalloy
Authors: Wood Paul , Mantle Andrew , Boud Fathi , Carter Wayne , Gunputh Urvashi , Pawlik Marzena , Lu Yiling , Díaz-Álvarez José , Miguélez Garrido María Henar
Published: September 2023

This paper discusses a method of finish turning Inconel 718 alloy to compare machining performance of a naturally aged and used metalworking fluid (MWF), which had been conventionally managed through its life cycle, with the same new unaged product. The MWF concentrate was a new-to-market bio-ester oil, diluted with water to produce an emulsion. In the experiments, 50 mm diameter bars were turned down with multiple passes at a 250 μm depth of cut to reach a tool flank wear of 200 μm. The machining was interrupted at several stages to measure the flank wear and compare the chip forms for the aged and unaged MWF. The method of finish turning used a small tool nose radius and a small depth of cut that was found to be sensitive in detecting a difference in the flank wear and chip forms for the aged and unaged MWF. On the chemistry, the findings suggest that higher total hardness of the aged MWF was the cause of reduced lubricity and accelerated flank wear. This paper discusses the state of the art with the insights that underpin the finish turning method for the machinability assessment of MWFs. The findings point to stabilization of the MWF chemistry to maintain machining process capability over an extended sump life.
Montbrayite from the Svetlinsk Gold–Telluride Deposit (South Urals, Russia): Composition Variability and Decomposition
Authors: Vikent’eva Olga V. , Shilovskikh Vladimir V. , Shcherbakov Vasily D. , Moroz Tatyana N. , Vikentyev Ilya V. , Bortnikov Nikolay S.
Published: September 2023

A rare gold–telluride montbrayite from the large Svetlinsk gold–telluride deposit (South Urals, Russia) was comprehensively studied using optical microscopy, scanning electron microscopy, electron microprobe analysis, reflectance measurements, electron backscatter diffraction, and Raman spectroscopy. Significant variations in the composition of the mineral were revealed (in wt%): Au 36.98–48.66, Te 43.35–56.53, Sb 2.49–8.10, Ag up to 4.56, Pb up to 2.04, Bi up to 0.33, Cu up to 1.42. There are two distinct groups with much more-limited variation within the observed compositional interval (in wt%): (1) Au 36.98–41.22, Te 49.35–56.53, Sb 2.49–5.57; (2) Au 47.86–48.66, Te 43.35–44.92, Sb 7.15–8.10. The empirical formula calculated on the basis of 61 apfu is Au16.43–23.28Sb1.79–6.09Te32.01–38.89Ag0–3.69Bi0–0.14Pb0–0.90Cu0–1.96. Two substitution mechanisms for antimony are proposed in the studied montbrayite grains: Sb→Au (2.5–5.6 wt% Sb) and Sb→Te (7–8 wt% Sb). The dependence of the reflection spectra and Raman spectra on the antimony content and its substitution mechanism, respectively, was found in the mineral. The slope of the reflectance spectra decreases and the curve in the blue–green region of the spectrum disappears with increasing Sb content in montbrayite. Raman spectra are reported for the first time for this mineral. The average positions of the peak with high-intensity are ~64 cm−1 and ~90 cm−1 for montbrayite with Sb→Te and Sb→Au, respectively. Two grains of montbrayite demonstrate decomposition according to two schemes: (1) montbrayite (7 wt% Sb) → native gold + calaverite ± altaite, and (2) montbrayite (5 wt% Sb) → native gold + tellurantimony ± altaite. A combination of melting and dissolution–precipitation processes may be responsible for the formation of these decomposition textures.
Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic Crystal
Authors: Kalita Pat , Specht Paul E. , Brown Justin L. , Pacheco Lena M. , Usher Josh M. , Seagle Christopher T.
Published: September 2023

The mineral CaF2 is the archetype of the α fluorite structure and its high-pressure phase transition to γ cotunnite is an ideal test bed for exploring the effects of kinetics. The inter-disciplinary topic of the kinetics of dynamically driven phase transitions is at the forefront of condensed matter physics, both for its theoretical importance and its relevance to technological applications at extreme conditions of pressure and temperature. Here we probe the α → γ → α structural transformations taking place over the nanosecond timescale of a dynamic event, beginning-to-end: from the principal shock Hugoniot state, followed by a quasi-steady off-Hugoniot release state, and finally the unsteady return to near-ambient conditions. We present quantitative, atomic-scale data of the unfolding of the dynamically driven phase transition and its subsequent reversal close to the α/γ phase boundary. Dynamic loading with a two-stage gas gun is coupled with in situ time-resolved synchrotron X-ray diffraction and with continuum scale velocimetry at the Dynamic Compression Sector (DCS), Advanced Photon Source, Argonne National Laboratory. Our results demonstrate the time dependence of phase transitions and highlight the need for modeling of transition kinetics in dynamically driven processes.
Synthesis of Porous MgAl-LDH on a Micelle Template and Its Application for Efficient Treatment of Oilfield Wastewater
Authors: Bai Bingbing , Wang Qingchen , Sun Yan , Zhou Rui , Chen Gang , Tang Ying
Published: September 2023

In this paper, a series of porous hierarchical Mg/Al layered double hydroxides (named as LDH, TTAC-MgAl-LDH, CTAC-MgAl-LDH, and OTAC-MgAl-LDH) was synthesized by a simple green hydrothermal method using wormlike micelles formed by salicylic acid and surfactants with different carbon chain lengths (0, 14, 16, and 18) as soft templates. BET, XRD, FTIR, TG, and SEM characterizations were carried out in order to investigate the structure and properties of the prepared materials. The results showed that the porous hierarchical CTAC-MgAl-LDH had a large specific surface area and multiple pore size distributions which could effectively increase the reaction area and allow better absorption capability. Benefiting from the unique architecture, CTAC-MgAl-LDH exhibited a large adsorption capacity for sulfonated lignite (231.70 mg/g) at 25 °C and a pH of 7, which outperformed the traditional LDH (86.05 mg/g), TTAC-MgAl-LDH (108.15 mg/g), and OTAC-MgAl-LDH (110.51 mg/g). The adsorption process of sulfonated lignite followed the pseudo-second-order kinetics model and conformed the Freundlich isotherm model with spontaneous heat absorption, which revealed that electrostatic adsorption and ion exchange were the main mechanisms of action for the adsorption. In addition, CTAC-MgAl-LDH showed a satisfactory long-time stability and its adsorption capacities were still as high as 198.64 mg/g after two adsorption cycles.
Talaromyces sp. Ethyl Acetate Crude Extract as Potential Mosquitocide to Control Culex pipiens quinquefasciatus
Authors: Chen Junhui , Xu Zhiyong , Liu Yangqing , Yang Feiying , Guan Limei , Yang Jian , Li Jianghuai , Niu Guodong , Li Jun , Jin Liang
Published: September 2023

Vector control is considered an effective approach to controlling diseases spread by mosquito bites. Entomopathogenic fungi are widely used in agriculture to control insect pests, and fungal metabolites can potentially be developed as effective mosquitocides. In this study, a high-throughput screening method was used to search for potential mosquitocides in the Global Fungal Extract Library (GFEL). We tested the larvicidal activity of 264 fungal ethyl acetate crude extracts against Culex pipiens quinquefasciatus. Nine fungal extracts caused moderate to high mortality rates (>50%), with two fungal extracts (58A7 and 101H12) causing a 100% mortality rate. The lethal concentrations for 50% of the population (LC50) were 44.27 mg/L and 31.90 mg/L, respectively. Fraction 14 had a high mortality rate, with an LC50 value of 12.13 mg/L, and was isolated from 58A7 (Fractions 1–11) and 101H12 (Fractions 12–15). Further analyses showed that Fraction 14 was made up of vermistatin and dihydrovermistatin. In a Cx. p. quinquefasciatus larvicidal bioassay, vermistatin (LC50 = 28.13 mg/L) was more toxic than dihydrovermistatin (LC50 = 83.87 mg/L). Our findings suggested that the active fungal extract 101H12 from Talaromyces sp. and its compound vermistatin could be developed as mosquitocides.
Hybrids of 1,4-Naphthoquinone with Thymidine Derivatives: Synthesis, Anticancer Activity, and Molecular Docking Study
Authors: Kadela-Tomanek Monika , Krzykawski Kamil , Halama Adrianna , Kubina Robert
Published: September 2023

One of the most essential health problems is cancer, the first or second cause of death worldwide. Head and neck cancers are hard to detect due to non-specific symptoms. The treatment often relies on a combination of radio and chemotherapy. For this reason, the research of new anticancer compounds is fundamental. The natural and synthetic compounds with 1,4-naphthoquinone scaffold is characterized by high anticancer activity. The study aimed to evaluate the synthesis and anticancer activity of hybrids 1,4-naphthoquinone with thymidine derivatives. The series of compounds allows us to check the influence of the substituent in the C3′ position of the thymidine moiety on the cytotoxicity against squamous cancer cell lines (SCC-9 and SCC-25) and submandibular gland cancer (A-253). An annexin V/propidium iodide (PI) co-staining assay shows that derivatives cause the apoptotic in SCC-25 and A-253 cell lines. The molecular docking study examined the interaction between the active site of the BCL-2 protein and the hybrids.
Anti-Colorectal Cancer Activity of Solasonin from Solanum nigrum L. via Histone Deacetylases-Mediated p53 Acetylation Pathway
Authors: Lan Xintian , Lu Meng , Fang Xiaoxue , Cao Yiming , Sun Mingyang , Shan Mengyao , Gao Wenyi , Wang Yuchen , Yu Wenbo , Luo Haoming
Published: September 2023

(1) Background: Solanum nigrum L. is a plant of the genus Solanum in the family Solanaceae and is commonly used to treat tumors. Solasonin (SS) is a steroidal alkaloid extracted from Solanum nigrum L. that has anti-colorectal cancer (CRC) activity. (2) Methods: Column chromatography, semi-preparative HPLC and cellular activity screening were used to isolate potential anti-CRC active compounds in Solanum nigrum L., and structure identification using 1H-NMR and 13C-NMR techniques. Expression levels of HDAC in CRC were mined in the UALCAN database. The in vitro effects of SS on SW620 cell line and its mechanism were examined via Western blot, EdU staining, flow cytometry and immunofluorescence. CRC xenograft model and IHC staining were mainly used to evaluate the role of SS in vivo. (3) Results: The results showed that SS was the most potent anti-CRC component in Solanum nigrum L., which induced apoptosis and cell cycle arrest in the SW620 cell line. HDAC was highly expressed in CRC. The treatment of SW620 cell line with SS resulted in a significant downregulation of HDAC, an increase in the level of P53 acetylation and a subsequent increase in the level of P21. The in vivo validation results showed that SS could effectively inhibit CRC growth, which was associated with the downregulation of HDAC. (4) Conclusions: SS treatment for CRC mainly works through the induction of apoptosis and cycle arrest, and its mechanism of action is mainly related to HDAC-induced P53 acetylation, and the HDAC/P53 signaling pathway may be a potential pathway for the treatment of CRC.
Recent Development of Lysosome-Targeted Organic Fluorescent Probes for Reactive Oxygen Species
Authors: Nguyen Van-Nghia , Li Haidong
Published: September 2023

Reactive oxygen species (ROS) are extremely important for various biological functions. Lysosome plays key roles in cellular metabolism and has been known as the stomach of cells. The abnormalities and malfunctioning of lysosomal function are associated with many diseases. Accordingly, the quantitative monitoring and real-time imaging of ROS in lysosomes are of great interest. In recent years, with the advancement of fluorescence imaging, fluorescent ROS probes have received considerable interest in the biomedical field. Thus far, considerable efforts have been undertaken to create synthetic fluorescent probes for sensing ROS in lysosomes; however, specific review articles on this topic are still lacking. This review provides a general introduction to fluorescence imaging technology, the sensing mechanisms of fluorescent probes, lysosomes, and design strategies for lysosome-targetable fluorescent ROS probes. In addition, the latest advancements in organic small-molecule fluorescent probes for ROS detection within lysosomes are discussed. Finally, the main challenges and future perspectives for developing effective lysosome-targetable fluorescent ROS probes for biomedical applications are presented.
Immunomodulatory Activity of Polysaccharides Isolated from Saussurea salicifolia L. and Saussurea frolovii Ledeb
Authors: Schepetkin Igor A. , Danilets Marina G. , Ligacheva Anastasia A. , Trofimova Evgenia S. , Selivanova Natalia S. , Sherstoboev Evgenii Yu. , Krivoshchekov Sergei V. , Gulina Ekaterina I. , Brazovskii Konstantin S. , Kirpotina Liliya N. , Quinn Mark T. , Belousov Mikhail V.
Published: September 2023

The genus Saussurea has been used in the preparation of therapies for a number of medical problems, yet not much is known about the therapeutic high-molecular-weight compounds present in extracts from these plants. Since polysaccharides are important in immune modulation, we investigated the chemical composition and immunomodulatory activity of Saussurea salicifolia L. and Saussurea frolovii Ledeb polysaccharides. Water-soluble polysaccharides from the aerial parts of these plants were extracted using water at pHs of 2 and 6 and subsequently precipitated in ethanol to obtain fractions SSP2 and SSP6 from S. salicifolia and fractions SSF2 and SSF6 from S. frolovii. The molecular weights of fractions SSP2, SSP6, SFP2, and SFP6 were estimated to be 143.7, 113.2, 75.3, and 64.3 kDa, respectively. The polysaccharides from S. frolovii contained xylose (67.1–71.7%) and glucose (28.3–32.9%), whereas the polysaccharides from S. frolovii contained xylose (63.1–76.7%), glucose (11.8–19.2%), galactose (4.7–8.3%), and rhamnose (6.8–9.4%). Fractions SSP2, SSP6, and SFP2 stimulated nitric oxide (NO) production by murine macrophages, and NO production induced by SSP2, SSP6, and SFP2 was not inhibited by polymyxin B treatment of the fractions, whereaspolymyxin B treatment diminished the effects of SFP6, suggesting that SFP6 could contain lipopolysaccharide (LPS). The LPS-free fractions SSP2, SSP6, and SFP2 had potent immunomodulatory activity, induced NO production, and activated transcription factors NF-κB/AP-1 in human monocytic THP-1 cells and cytokine production by human MonoMac-6 monocytic cells, including interleukin (IL)-1α, IL-1β, IL-6, granulocyte macrophage colony-stimulating factor (GM-CSF), interferon-γ, monocyte chemotactic protein 1 (MCP-1), and tumor necrosis factor (TNF). These data suggest that at least part of the beneficial therapeutic effects reported for water extracts of the Saussurea species are due to the modulation of leukocyte functions by polysaccharides.
Ab Initio Approach to the Structure, Vibrational Properties, and Electron Binding Energies of H2S∙∙∙SO2
Authors: Magalhães Isaac O. M. , Cabral Benedito J. C. , Martins João B. L.
Published: September 2023

The present study employs high-level ab initio calculations to investigate the structure, vibrational frequencies, and electronic properties of H2S∙∙∙SO2. The analysis of vibrational frequencies reveals an intramolecular vibrational energy transfer phenomenon, where energy from the stretching modes of H2S is transferred to the ν1s mode of SO2. At the CCSD(T)/aug-cc-pVQZ level, the interaction energy between H2S and SO2 is predicted to be 2.78 kcal/mol. Electron propagator theory calculations yield a HOMO–LUMO gap of 8.24 eV for H2S∙∙∙SO2. Furthermore, by utilizing ab initio results for the adiabatic ionization energy and electron affinity, the electrophilicity of H2S∙∙∙SO2 is estimated to be 2.01 eV. This value is similar to the electrophilicity of SO2, suggesting comparable reactivity and chemical behavior. The non-covalent interaction (NCI) analysis of the H2S∙∙∙SO2 complex emphasizes the significant contribution of non-covalent van der Waals interactions in its energetic stabilization.
Einstein Model of a Graph to Characterize Protein Folded/Unfolded States
Authors: Tyler Steve , Laforge Christophe , Guzzo Adrien , Nicolaï Adrien , Maisuradze Gia G. , Senet Patrick
Published: September 2023

The folded structures of proteins can be accurately predicted by deep learning algorithms from their amino-acid sequences. By contrast, in spite of decades of research studies, the prediction of folding pathways and the unfolded and misfolded states of proteins, which are intimately related to diseases, remains challenging. A two-state (folded/unfolded) description of protein folding dynamics hides the complexity of the unfolded and misfolded microstates. Here, we focus on the development of simplified order parameters to decipher the complexity of disordered protein structures. First, we show that any connected, undirected, and simple graph can be associated with a linear chain of atoms in thermal equilibrium. This analogy provides an interpretation of the usual topological descriptors of a graph, namely the Kirchhoff index and Randić resistance, in terms of effective force constants of a linear chain. We derive an exact relation between the Kirchhoff index and the average shortest path length for a linear graph and define the free energies of a graph using an Einstein model. Second, we represent the three-dimensional protein structures by connected, undirected, and simple graphs. As a proof of concept, we compute the topological descriptors and the graph free energies for an all-atom molecular dynamics trajectory of folding/unfolding events of the proteins Trp-cage and HP-36 and for the ensemble of experimental NMR models of Trp-cage. The present work shows that the local, nonlocal, and global force constants and free energies of a graph are promising tools to quantify unfolded/disordered protein states and folding/unfolding dynamics. In particular, they allow the detection of transient misfolded rigid states.
Açai Seeds (Euterpe oleracea Mart) Are Agroindustrial Waste with High Potential to Produce Low-Cost Substrates after Acid Hydrolysis
Authors: Igreja Willen , da Silva Martins Luiza , de Almeida Rafaela , de Oliveira Johnatt , Lopes Alessandra , Chisté Renan
Published: September 2023

Açai seeds have been discarded improperly around the Amazonia region, but they can be seen as promising low-cost substrates for fermentation processes. The structural carbohydrates and physicochemical characterization of açai seeds from the Amazonia were assessed followed by the determination of the optimal hydrolysis conditions using H3PO4 (phosphoric acid) and H2SO4 (sulfuric acid) to obtain a liquor with high contents of simple carbohydrates and low levels of potential microbial inhibitors usually generated during acid hydrolysis of carbohydrates. A central composite rotational design was carried out varying the concentrations of diluted acid (0–5%, w/v), solids (0.1–25%, w/v), and hydrolysis time (9.5–110 min). Acid hydrolysis with H2SO4 was more effective in producing reducing sugars (15.9–103.1 g/L) than H3PO4 (2.9–33.9 g/L) during optimization. The optimal hydrolysis conditions with H2SO4 were 3.5% of acid (w/v), 25% of solids during 70 min at 121 °C, which provided a liquor with 55 g/L of reducing sugars and low levels of microbial inhibitors: acetic acid (1.8 g/L), hydroxymethyl furfural (338 mg/L), and furfural (10 mg/L). Thus, açai seeds were characterized as promising agroindustrial waste with high potential to be used as a low-cost substrate in biotechnological processes, comprising relevant environmental and bioeconomic aspects for the development of the Amazonia.
Highly Water-Stable Zinc Based Metal–Organic Framework: Antibacterial, Photocatalytic Degradation and Photoelectric Responses
Authors: Yuan Congying , Miao Yadi , Chai Yinhang , Zhang Xiaojun , Dong Xiaojing , Zhao Ying
Published: September 2023

A reported water-stable Zn-MOF ([Zn(L)2(bpa)(H2O)2]·2H2O, H2L = 5-(2-cyanophenoxy) isophthalic acid has been prepared via a low-cost, general and efficient hydrothermal method. It is worth noting the structural features of Zn-MOF which exhibit the unsaturated metal site and the main non-covalent interactions including O⋯H, N⋯H and π-π stacking interactions, which lead to strong antibacterial and good tetracycline degradation ability. The average diameter of the Zn-MOF inhibition zone against Escherichia coli and Staphylococcus aureus was 12.22 mm and 10.10 mm, respectively. Further, the water-stable Zn-MOF can be employed as the effective photocatalyst for the photodegradation of tetracycline, achieving results of 67% within 50 min, and it has good cyclic stability. In addition, the photodegradation mechanism was studied using UV-vis diffuse reflection spectroscopy (UV-VIS DRS) and valence-band X-ray photoelectron spectroscopy (VB-XPS) combined with the ESR profile of Zn-MOF, which suggest that ·O2− is the main active species responsible for tetracycline photodegradation. Also, the photoelectric measurement results show that Zn-MOF has a good photocurrent generation performance under light. This provides us with a new perspective to investigate Zn-MOF materials as a suitable multifunctional platform for future environmental improvement applications.
The Methylcitrate Cycle and Its Crosstalk with the Glyoxylate Cycle and Tricarboxylic Acid Cycle in Pathogenic Fungi
Authors: Huang Zhicheng , Wang Qing , Khan Irshad Ali , Li Yan , Wang Jing , Wang Jiaoyu , Liu Xiaohong , Lin Fucheng , Lu Jianping
Published: September 2023

In fungi, the methylcitrate cycle converts cytotoxic propionyl-coenzyme A (CoA) to pyruvate, which enters gluconeogenesis. The glyoxylate cycle converts acetyl-CoA to succinate, which enters gluconeogenesis. The tricarboxylic acid cycle is a central carbon metabolic pathway that connects the methylcitrate cycle, the glyoxylate cycle, and other metabolisms for lipids, carbohydrates, and amino acids. Fungal citrate synthase and 2-methylcitrate synthase as well as isocitrate lyase and 2-methylisocitrate lyase, each evolved from a common ancestral protein. Impairment of the methylcitrate cycle leads to the accumulation of toxic intermediates such as propionyl-CoA, 2-methylcitrate, and 2-methylisocitrate in fungal cells, which in turn inhibits the activity of many enzymes such as dehydrogenases and remodels cellular carbon metabolic processes. The methylcitrate cycle and the glyoxylate cycle synergistically regulate carbon source utilization as well as fungal growth, development, and pathogenic process in pathogenic fungi.
Development of A Nanostructured Lipid Carrier-Based Drug Delivery Strategy for Apigenin: Experimental Design Based on CCD-RSM and Evaluation against NSCLC In Vitro
Authors: Wang Xiaoxue , Liu Jinli , Ma Yufei , Cui Xinyu , Chen Cong , Zhu Guowei , Sun Yue , Tong Lei
Published: September 2023

Non-small-cell lung cancer (NSCLC) is the main cause of cancer-related deaths worldwide, with a low five-year survival rate, posing a serious threat to human health. In recent years, the delivery of antitumor drugs using a nanostructured lipid carrier (NLC) has become a subject of research. This study aimed to develop an apigenin (AP)-loaded nanostructured lipid carrier (AP-NLC) by melt sonication using glyceryl monostearate (GMS), glyceryl triacetate, and poloxamer 188. The optimal prescription of AP-NLC was screened by central composite design response surface methodology (CCD-RSM) based on a single-factor experiment using encapsulation efficiency (EE%) and drug loading (DL%) as response values and then evaluated for its antitumor effects on NCI-H1299 cells. A series of characterization analyses of AP-NLC prepared according to the optimal prescription were carried out using transmission electron microscopy (TEM), differential scanning calorimetry (DSC), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FT-IR). Subsequent screening of the lyophilization protectants revealed that mannitol could better maintain the lyophilization effect. The in vitro hemolysis assay of this formulation indicated that it may be safe for intravenous injection. Moreover, AP-NLC presented a greater ability to inhibit the proliferation, migration, and invasion of NCI-H1299 cells compared to AP. Our results suggest that AP-NLC is a safe and effective nano-delivery vehicle that may have beneficial potential in the treatment of NSCLC.
Sustainable Recovery of Phenolic Compounds from Distilled Rosemary By-Product Using Green Extraction Methods: Optimization, Comparison, and Antioxidant Activity
Authors: Irakli Maria , Skendi Adriana , Bouloumpasi Elisavet , Christaki Stamatia , Biliaderis Costas G. , Chatzopoulou Paschalina
Published: September 2023

Rosemary solid distillation waste (SWR), a by-product of the essential oil industry, represents an important source of phenolic antioxidants. Green technologies such as ultrasound-assisted extraction (UAE), microwave-assisted extraction (MAE), and accelerated solvent extraction (ASE) of phenolic compounds from SWR were optimized as valorization routes to maximize yield, rosmarinic acid (RMA), carnosol (CARO) and carnosic acid (CARA) contents. Response surface methodology was used in this context, with ethanol concentration (X1), extraction temperature (X2), and time (X3) being the independent variables. A second-order polynomial model was fitted to the data, and multiple regression analysis and analysis of variance were used to determine model fitness and optimal conditions. Ethanol concentration was the most influential extraction parameter, affecting phenolic compounds, while the influence of other parameters was moderate. The optimized conditions were as follows: X1: 67.4, 80.0, and 59.0%, X2: 70, 51, and 125 °C, and X3: 15, 10, and 7 min for MAE, UAE, and ASE, respectively. A comparison of optimized MAE, UAE, and ASE with conventional Soxhlet extraction techniques indicated that ASE provided a higher extraction yield and content of phenolic compounds. However, UAE represented the best process from an environmental point of view, allowing an improved extraction of phenolics from SWR with high energy efficiency and low energy costs.
Controllable Synthesis, Photocatalytic Property, and Mechanism of a Novel POM-Based Direct Z-Scheme Nano-Heterojunction α-Fe2O3/P2Mo18
Authors: Zhang Yanlin , Zhao Mingyu , Huang Jubo , Zhao Nan , Yu Haihui
Published: September 2023

In order to improve photocatalytic activity and maximize solar energy use, a new composite material Fe2O3/P2Mo18 was prepared by combining polyoxometalates (P2Mo18) with Fe2O3 nanosheets. FT-IR, XRD, XPS, SEM, TEM, UV-vis, EIS, and PL were used to characterize the composite material, and nano-Fe2O3 of different sizes and morphologies with a controllable absorption range was prepared by adjusting the reaction time, and, when combined with P2Mo18, a composite photocatalyst with efficient visible light response and photocatalytic activity was constructed. The EIS, Bode, and PL spectra analysis results show that the Fe2O3/P2Mo18 composite material has outstanding interfacial charge transfer efficiency and potential photocatalytic application possibilities. Model reactions of methylene blue (MB) and Cr (VI) photodegradation were used to evaluate the redox activity of Fe2O3/P2Mo18 composites under simulated visible light. The photocatalytic degradation rate was as high as 98.98% for MB and 96.86% for Cr (VI) when the composite ratio was Fe2O3/P2Mo18-5%. This research opens up a new avenue for the development of high-performance photocatalysts.
A Robust and Standardized Approach to Quantify Wound Closure Using the Scratch Assay
Authors: Balko Stefan , Kerr Evan , Buchel Edward , Logsetty Sarvesh , Raouf Afshin
Published: September 2023

The scratch assay is an in vitro assay that allows for high-throughput quantification of wound closure by keratinocytes and fibroblasts with relative ease. However, this assay is amenable to experimental variables, which can result in false-positive and false-negative data, making the interpretation of such data difficult. Also, data variability decreases the sensitivity of the scratch assay. Here, we identify important sources of data variation in the scratch assay and provide rational mitigation strategies that enable robust and highly reproducible quantification of scratch width and area, and ultimately the scratch closure rates. By eliminating these sources of variability, the sensitivity of the scratch assay is enhanced, thereby allowing for identification of dependent variables with wide-ranging impacts on wound closure in a robust and standardized manner.
End-to-End Diverse Metasurface Design and Evaluation Using an Invertible Neural Network
Authors: Wang Yunxiang , Yang Ziyuan , Hu Pan , Hossain Sushmit , Liu Zerui , Ou Tse-Hsien , Ye Jiacheng , Wu Wei
Published: September 2023

Employing deep learning models to design high-performance metasurfaces has garnered significant attention due to its potential benefits in terms of accuracy and efficiency. A deep learning-based metasurface design framework typically comprises a forward prediction path for predicting optical responses and a backward retrieval path for generating geometrical configurations. In the forward design path, a specific geometrical configuration corresponds to a unique optical response. However, in the inverse design path, a single performance metric can correspond to multiple potential designs. This one-to-many mapping poses a significant challenge for deep learning models and can potentially impede their performance. Although representing the inverse path as a probabilistic distribution is a widely adopted method for tackling this problem, accurately capturing the posterior distribution to encompass all potential solutions remains an ongoing challenge. Furthermore, in most pioneering works, the forward and backward paths are captured using separate models. However, the knowledge acquired from the forward path does not contribute to the training of the backward model. This separation of models adds complexity to the system and can hinder the overall efficiency and effectiveness of the design framework. Here, we utilized an invertible neural network (INN) to simultaneously model both the forward and inverse process. Unlike other frameworks, INN focuses on the forward process and implicitly captures a probabilistic model for the inverse process. Given a specific optical response, the INN enables the recovery of the complete posterior over the parameter space. This capability allows for the generation of novel designs that are not present in the training data. Through the integration of the INN with the angular spectrum method, we have developed an efficient and automated end-to-end metasurface design and evaluation framework. This novel approach eliminates the need for human intervention and significantly speeds up the design process. Utilizing this advanced framework, we have effectively designed high-efficiency metalenses and dual-polarization metasurface holograms. This approach extends beyond dielectric metasurface design, serving as a general method for modeling optical inverse design problems in diverse optical fields.
Photo-Controlled Self-Assembly of Nanoparticles: A Promising Strategy for Development of Novel Structures
Authors: Li Juntan , Jia Xiaoyong
Published: September 2023

Photo-controlled self-assembly of nanoparticles (NPs) is an advanced and promising approach to address a series of material issues from the molecular level to the nano/micro scale, owing to the fact that light stimulus is typically precise and rapid, and can provide contactless spatial and temporal control. The traditional photo-controlled assembly of NPs is based on photochemical processes through NPs modified by photo-responsive molecules, which are realized through the change in chemical structure under irradiation. Moreover, photoexcitation-induced assembly of NPs is another promising physical strategy, and such a strategy aims to employ molecular conformational change in the excited state (rather than the chemical structure) to drive molecular motion and assembly. The exploration and control of NP assembly through such a photo-controlled strategy can open a new paradigm for scientists to deal with “bottom-up” behaviors and develop unprecedented optoelectronic functional materials.
Hollow-Architected Heteroatom-Doped Carbon-Supported Nanoscale Cu/Co as an Enhanced Magnetic Activator for Oxone to Degrade Toxicants in Water
Authors: Trang Tran Doan , Lin Jia-Yin , Chang Hou-Chien , Huy Nguyen Nhat , Ghotekar Suresh , Lin Kun-Yi Andrew , Munagapati Venkata Subbaiah , Yee Yeoh Fei , Lin Yi-Feng
Published: September 2023

Even though transition metals can activate Oxone to degrade toxic contaminants, bimetallic materials possess higher catalytic activities because of synergistic effects, making them more attractive for Oxone activation. Herein, nanoscale CuCo-bearing N-doped carbon (CuCoNC) can be designed to afford a hollow structure as well as CuCo species by adopting cobaltic metal organic frameworks as a template. In contrast to Co-bearing N-doped carbon (CoNC), which lacks the Cu dopant, CuCo alloy nanoparticles (NPs) are contained by the Cu dopant within the carbonaceous matrix, giving CuCoNC more prominent electrochemical properties and larger porous structures and highly nitrogen moieties. CuCoNC, as a result, has a significantly higher capability compared to CoNC and Co3O4 NPs, for Oxone activation to degrade a toxic contaminant, Rhodamine B (RDMB). Furthermore, CuCoNC+Oxone has a smaller activation energy for RDMB elimination and maintains its superior effectiveness for removing RDMB in various water conditions. The computational chemistry insights have revealed the RDMB degradation mechanism. This study reveals that CuCoNC is a useful activator for Oxone to eliminate RDMB.
Recent Breakthroughs in Using Quantum Dots for Cancer Imaging and Drug Delivery Purposes
Authors: Hamidu Aisha , Pitt William G. , Husseini Ghaleb A.
Published: September 2023

Cancer is one of the leading causes of death worldwide. Because each person’s cancer may be unique, diagnosing and treating cancer is challenging. Advances in nanomedicine have made it possible to detect tumors and quickly investigate tumor cells at a cellular level in contrast to prior diagnostic techniques. Quantum dots (QDs) are functional nanoparticles reported to be useful for diagnosis. QDs are semiconducting tiny nanocrystals, 2–10 nm in diameter, with exceptional and useful optoelectronic properties that can be tailored to sensitively report on their environment. This review highlights these exceptional semiconducting QDs and their properties and synthesis methods when used in cancer diagnostics. The conjugation of reporting or binding molecules to the QD surface is discussed. This review summarizes the most recent advances in using QDs for in vitro imaging, in vivo imaging, and targeted drug delivery platforms in cancer applications.
Printed Electrodes Based on Vanadium Dioxide and Gold Nanoparticles for Asymmetric Supercapacitors
Authors: Minyawi Bashaer A. , Vaseem Mohammad , Alhebshi Nuha A. , Al-Amri Amal M. , Shamim Atif
Published: September 2023

Printed energy storage components attracted attention for being incorporated into bendable electronics. In this research, a homogeneous and stable ink based on vanadium dioxide (VO2) is hydrothermally synthesized with a non-toxic solvent. The structural and morphological properties of the synthesized material are determined to be well-crystalline monoclinic-phase nanoparticles. The charge storage mechanisms and evaluations are specified for VO2 electrodes, gold (Au) electrodes, and VO2/Au electrodes using cyclic voltammetry, galvanostatic charge–discharge, and electrochemical impedance spectroscopy. The VO2 electrode shows an electrical double layer and a redox reaction in the positive and negative voltage ranges with a slightly higher areal capacitance of 9 mF cm−2. The VO2/Au electrode exhibits an areal capacitance of 16 mF cm−2, which is double that of the VO2 electrode. Due to the excellent electrical conductivity of gold, the areal capacitance 18 mF cm−2 of the Au electrode is the highest among them. Based on that, Au positive electrodes and VO2 negative electrodes are used to build an asymmetric supercapacitor. The device delivers an areal energy density of 0.45 μWh cm−2 at an areal power density of 70 μW cm−2 at 1.4 V in the aqueous electrolyte of potassium hydroxide. We provide a promising electrode candidate for cost-effective, lightweight, environmentally friendly printed supercapacitors.
Atomically Thin Amorphous Indium–Oxide Semiconductor Film Developed Using a Solution Process for High-Performance Oxide Transistors
Authors: Park Jun-Hyeong , Park Won , Na Jeong-Hyeon , Lee Jinuk , Eun Jun-Su , Feng Junhao , Kim Do-Kyung , Bae Jin-Hyuk
Published: September 2023

High-performance oxide transistors have recently attracted significant attention for use in various electronic applications, such as displays, sensors, and back-end-of-line transistors. In this study, we demonstrate atomically thin indium–oxide (InOx) semiconductors using a solution process for high-performance thin-film transistors (TFTs). To achieve superior field-effect mobility and switching characteristics in TFTs, the bandgap and thickness of the InOx were tuned by controlling the InOx solution molarity. As a result, a high field-effect mobility and on/off-current ratio of 13.95 cm2 V−1 s−1 and 1.42 × 1010, respectively, were achieved using 3.12-nanometer-thick InOx. Our results showed that the charge transport of optimized InOx with a thickness of 3.12 nm is dominated by percolation conduction due to its low surface roughness and appropriate carrier concentration. Furthermore, the atomically thin InOx TFTs showed superior positive and negative gate bias stress stabilities, which are important in electronic applications. The proposed oxide TFTs could provide an effective means of the fabrication of scalable, high-throughput, and high-performance transistors for next-generation electronic applications.
Scanning Photocurrent Microscopy in Single Crystal Multidimensional Hybrid Lead Bromide Perovskites
Authors: Segura-Sanchis Elena , García-Aboal Rocío , Fenollosa Roberto , Ramiro-Manzano Fernando , Atienzar Pedro
Published: September 2023

We investigated solution-grown single crystals of multidimensional 2D–3D hybrid lead bromide perovskites using spatially resolved photocurrent and photoluminescence. Scanning photocurrent microscopy (SPCM) measurements where the electrodes consisted of a dip probe contact and a back contact. The crystals revealed significant differences between 3D and multidimensional 2D–3D perovskites under biased detection, not only in terms of photocarrier decay length values but also in the spatial dynamics across the crystal. In general, the photocurrent maps indicate that the closer the border proximity, the shorter the effective decay length, thus suggesting a determinant role of the border recombination centers in monocrystalline samples. In this case, multidimensional 2D–3D perovskites exhibited a simple fitting model consisting of a single exponential, while 3D perovskites demonstrated two distinct charge carrier migration dynamics within the crystal: fast and slow. Although the first one matches that of the 2D–3D perovskite, the long decay of the 3D sample exhibits a value two orders of magnitude larger. This difference could be attributed to the presence of interlayer screening and a larger exciton binding energy of the multidimensional 2D–3D perovskites with respect to their 3D counterparts.