bluuebunny/crossref_metadata_2025 huggingface dataset:
The Problem of Boundary Control of the Thermal Process in a Rod
Authors: Barseghyan Vanya , Solodusha Svetlana
Published: June 2023

This paper considers a rod with an insulated side surface, at the edges of which there is heat exchange with the external environment. It is assumed that the thermal process in the rod is controlled by the effect of the ambient temperature on the thermal state in the rod through its boundary temperatures. Using the technique of separation of variables and methods based on the theory of control of finite-dimensional systems, we propose a constructive approach to build the control function of the temperature conditions at the ends of the rod that change the temperature state distribution in the rod from a given initial state to a final state within a specified time interval. We have formulated the necessary and sufficient condition that the boundary control functions of the temperature modes of the rod must satisfy in order for the problem to be completely controllable under any allowable initial and final conditions. As an application of the proposed approach, we have built the temperature control functions at the ends of the rod for the first two harmonics.
Combination of Multigrid with Constraint Data for Inverse Problem of Nonlinear Diffusion Equation
Authors: Liu Tao , Ouyang Di , Guo Lianjun , Qiu Ruofeng , Qi Yunfei , Xie Wu , Ma Qiang , Liu Chao
Published: June 2023

This paper delves into a rapid and accurate numerical solution for the inverse problem of the nonlinear diffusion equation in the context of multiphase porous media flow. For the realization of this, the combination of the multigrid method with constraint data is utilized and investigated. Additionally, to address the ill-posedness of the inverse problem, the Tikhonov regularization is incorporated. Numerical results demonstrate the computational performance of this method. The proposed combination strategy displays remarkable capabilities in reducing noise, avoiding local minima, and accelerating convergence. Moreover, this combination method performs better than any one method used alone.
Application of Leak 2D to Describe Preferential Water Flow in a Soil Containing Artificial Macropores
Authors: Paraskevas Charalampos , Karpouzos Dimitrios , Babajimopoulos Christos
Published: June 2023

Leak 2D is a new two-dimensional dual permeability mathematical model for the simulation of the preferential flow in the vadose zone. In this model, water flow in the soil matrix domain is described by the two-dimensional h-based Richards’ equation. Water flow in the fracture domain is estimated using the kinematic wave approach. Richards’ equation is solved by a combination of the alternating direction implicit (A.D.I.) method and the Douglas and Jones predictor−corrector method. The kinematic wave equation is solved explicitly. In the present paper, Leak 2D is calibrated and validated with data obtained in a Hele–Shaw apparatus filled with sand. Preferential flow is achieved by inserting four artificial macropores of various sizes into the soil. Six irrigations of various intensities and durations were used for the calibration and validation process. The water content at various depths was recorded by five sensors that were inserted into the soil. A comparison of the simulated water content with the measured profiles shows that Leak 2D can sufficiently describe preferential flow into the unsaturated zone of the soil, even under extreme irrigation conditions.
Analytic and Asymptotic Properties of the Generalized Student and Generalized Lomax Distributions
Authors: Korolev Victor
Published: June 2023

Analytic and asymptotic properties of the generalized Student and generalized Lomax distributions are discussed, with the main focus on the representation of these distributions as scale mixtures of the laws that appear as limit distributions in classical limit theorems of probability theory, such as the normal, folded normal, exponential, Weibull, and Fréchet distributions. These representations result in the possibility of proving some limit theorems for statistics constructed from samples with random sizes in which the generalized Student and generalized Lomax distributions are limit laws. An overview of known properties of the generalized Student distribution is given, and some simple bounds for its tail probabilities are presented. An analog of the ‘multiplication theorem’ is proved, and the identifiability of scale mixtures of generalized Student distributions is considered. The normal scale mixture representation for the generalized Student distribution is discussed, and the properties of the mixing distribution in this representation are studied. Some simple general inequalities are proved that relate the tails of the scale mixture with that of the mixing distribution. It is proved that for some values of the parameters, the generalized Student distribution is infinitely divisible and admits a representation as a scale mixture of Laplace distributions. Necessary and sufficient conditions are presented that provide the convergence of the distributions of sums of a random number of independent random variables with finite variances and other statistics constructed from samples with random sizes to the generalized Student distribution. As an example, the convergence of the distributions of sample quantiles in samples with random sizes is considered. The generalized Lomax distribution is defined as the distribution of the absolute value of the random variable with the generalized Student distribution. It is shown that the generalized Lomax distribution can be represented as a scale mixture of folded normal distributions. The convergence of the distributions of maximum and minimum random sums to the generalized Lomax distribution is considered. It is demonstrated that the generalized Lomax distribution can be represented as a scale mixture of Weibull distributions or that of Fréchet distributions. As a consequence, it is demonstrated that the generalized Lomax distribution can be limiting for extreme statistics in samples with random size. The convergence of the distributions of mixed geometric random sums to the generalized Lomax distribution is considered, and the corresponding extension of the famous Rényi theorem is proved. The law of large numbers for mixed Poisson random sums is presented, in which the limit random variable has a generalized Lomax distribution.
Fault Prediction of Control Clusters Based on an Improved Arithmetic Optimization Algorithm and BP Neural Network
Authors: Xu Tao , Gao Zeng , Zhuang Yi
Published: June 2023

Higher accuracy in cluster failure prediction can ensure the long-term stable operation of cluster systems and effectively alleviate energy losses caused by system failures. Previous works have mostly employed BP neural networks (BPNNs) to predict system faults, but this approach suffers from reduced prediction accuracy due to the inappropriate initialization of weights and thresholds. To address these issues, this paper proposes an improved arithmetic optimization algorithm (AOA) to optimize the initial weights and thresholds in BPNNs. Specifically, we first introduced an improved AOA via multi-subpopulation and comprehensive learning strategies, called MCLAOA. This approach employed multi-subpopulations to effectively alleviate the poor global exploration performance caused by a single elite, and the comprehensive learning strategy enhanced the exploitation performance via information exchange among individuals. More importantly, a nonlinear strategy with a tangent function was designed to ensure a smooth balance and transition between exploration and exploitation. Secondly, the proposed MCLAOA was utilized to optimize the initial weights and thresholds of BPNNs in cluster fault prediction, which could enhance the accuracy of fault prediction models. Finally, the experimental results for 23 benchmark functions, CEC2020 benchmark problems, and two engineering examples demonstrated that the proposed MCLAOA outperformed other swarm intelligence algorithms. For the 23 benchmark functions, it improved the optimal solutions in 16 functions compared to the basic AOA. The proposed fault prediction model achieved comparable performance to other swarm-intelligence-based BPNN models. Compared to basic BPNNs and AOA-BPNNs, the MCLAOA-BPNN showed improvements of 2.0538 and 0.8762 in terms of mean absolute percentage error, respectively.
Isolation and Biological Activity of Iezoside and Iezoside B, SERCA Inhibitors from Floridian Marine Cyanobacteria
Authors: Kokkaliari Sofia , Luo Danmeng , Paul Valerie J. , Luesch Hendrik
Published: June 2023

Marine cyanobacteria are a rich source of bioactive natural products. Here, we report the isolation and structure elucidation of the previously reported iezoside (1) and its C-31 O-demethyl analogue, iezoside B (2), from a cyanobacterial assemblage collected at Loggerhead Key in the Dry Tortugas, Florida. The two compounds have a unique skeleton comprised of a peptide, a polyketide and a modified sugar unit. The compounds were tested for cytotoxicity and effects on intracellular calcium. Both compounds exhibited cytotoxic activity with an IC50 of 1.5 and 3.0 μΜ, respectively, against A549 lung carcinoma epithelial cells and 1.0 and 2.4 μΜ against HeLa cervical cancer cells, respectively. In the same cell lines, compounds 1 and 2 show an increase in cytosolic calcium with approximate EC50 values of 0.3 and 0.6 μΜ in A549 cells and 0.1 and 0.5 μΜ, respectively, in HeLa cells, near the IC50 for cell viability, suggesting that the increase in cytosolic calcium is functionally related to the cytotoxicity of the compounds and consistent with their activity as SERCA (sarcoplasmic/endoplasmic reticulum Ca2+-ATPase) inhibitors. The structure–activity relationship provides evidence that structural changes in the sugar unit may be tolerated, and the activity is tunable. This finding has implications for future analogue synthesis and target interaction studies.
Oral Supplementation with Algal Sulphated Polysaccharide in Subjects with Inflammatory Skin Conditions: A Randomised Double-Blind Placebo-Controlled Trial and Baseline Dietary Differences
Authors: Roach Lauren A. , Meyer Barbara J. , Fitton J. Helen , Winberg Pia
Published: June 2023

We examined the effect of a dietary seaweed extract—sulfated xylorhamnoglucuronan (SXRG84)—on individuals with inflammatory skin conditions. A subgroup analysis of a larger trial was undertaken, where 44 participants with skin conditions were enrolled in a double-blind placebo-controlled crossover design. Subjects ingested either SXRG84 extract (2 g/day) for six weeks and placebo for six weeks, or vice versa. At baseline, six- and twelve-weeks inflammatory markers and the gut microbiota were assessed, as well as skin assessments using the dermatology quality of life index (DQLI), psoriasis area severity index (PASI) and visual analogue scales (VAS). There were significant differences at weeks six and twelve for pro-inflammatory cytokines IFN-γ (p = 0.041), IL-1β (p = 0.030), TNF-α (p = 0.008) and the anti-inflammatory cytokine IL-10 (p = 0.026), determined by ANCOVA. These cytokines were all significantly higher at six weeks post placebo compared to twelve weeks post placebo followed by SXRG84 treatment. A total of 23% of participants reported skin improvements, as measured by VAS (mean difference 3.1, p = 0.0005) and the DQLI score (mean difference -2.0, p = 0.049), compared to the ‘non-responders’. Thus, the ingestion of SXRG84 for 6 weeks reduced inflammatory cytokines, and a subset of participants saw improvements.
Expression of CYP2B6 Enzyme in Human Liver Tissue of HIV and HCV Patients
Authors: Obradovic Bozana , Roberts Owain , Owen Andrew , Milosevic Ivana , Milic Natasa , Ranin Jovan , Dragovic Gordana
Published: June 2023

Background and Objectives: Hepatitis C virus (HCV) and human immunodeficiency virus (HIV) infections present significant public health challenges worldwide. The management of these infections is complicated by the need for antiviral and antiretroviral therapies, which are influenced by drug metabolism mediated by metabolic enzymes and transporters. This study focuses on the gene expression of CYP2B6, CYP3A4, and ABCB1 transporters in patients with HIV, HCV, and HIV/HCV co-infection, aiming to assess their potential association with the choice of therapy, patohistological and clinical parameters of liver damage such as the stage of liver fibrosis, serum levels of ALT and AST, as well as the grade of liver inflammation and other available biochemical parameters. Materials and Methods: The study included 54 patients who underwent liver biopsy, divided into HIV-infected, HCV-infected, and co-infected groups. The mRNA levels of CYP2B6, CYP3A4, and ABCB1 was quantified and compared between the groups, along with the analysis of liver fibrosis and inflammation levels. Results: The results indicated a significant increase in CYP2B6 mRNA levels in co-infected patients, a significant association with the presence of HIV infection with an increase in CYP3A4 mRNA levels. A trend towards downregulation of ABCB1 expression was observed in patients using lamivudine. Conclusions: This study provides insight into gene expression of CYP2B6 CYP3A4, and ABCB1 in HIV, HCV, and HIV/HCV co-infected patients. The absence of correlation with liver damage, inflammation, and specific treatment interventions emphasises the need for additional research to elucidate the complex interplay between gene expression, viral co-infection, liver pathology, and therapeutic responses in these particular patients population.
Zn Extraction from Zinc-Containing Sludge Using Ultrasonic Treatment Leaching with ChCl-MA DES
Authors: Niu Fusheng , Bu Ziheng , Zhang Jinxia , He Shengtao , Chang Zhenjia
Published: June 2023

The recovery of zinc from metallurgical dust sludge is a crucial component of using solid waste as a resource in the metallurgical process, and deep eutectic solvent–ultrasonic synergistic enhanced leaching is an efficient method of doing so with excellent economic effects. The leaching rate of zinc is used as the value of response in this study, along with the four process conditions of leaching temperature, leaching time, liquid–solid ratio, and ultrasonic power. By building a regression model, the relationship between the various parameter components is investigated, and a strategy for optimization is then chosen and confirmed. The findings indicate that, for the parameters of temperature 40 °C, ultrasonic power 90 W, liquid–solid ratio 7:1 g/L, stirring speed 250 rpm, and leaching duration 80 min, the prediction value of the regression model of the zinc leaching rate is 98.47%. The average zinc leaching rate obtained by the 3 parallel verification experiments was 98.49%; the deviation from the regression model’s predicted value was 0.02%. This demonstrated that the experimental results were consistent with those predicted by the regression model, the experimental results were reliable and trustworthy, and the optimization scheme was reasonable and accurate. Compared with the conventional leaching method (leaching rate: 91.61%), the method under ultrasound increased the zinc leaching rate by 6.88%.
Novel Frontiers in High-Entropy Alloys
Authors: Bridges Denzel , Fieser David , Santiago Jannira J. , Hu Anming
Published: June 2023

There is little doubt that there is significant potential for high-entropy alloys (HEAs) in cryogenic and aerospace applications. However, given the immense design space for HEAs, there is much more to be explored. This review will focus on four areas of application for HEAs that receive less attention. These focus areas include joining technologies, HEA nanomaterial synthesis, catalysis, and marine applications. The performance of HEAs as a filler metal for welding and brazing as well as their performance as a welded/brazed base metal will be discussed. Various methods for synthesizing HEA nanomaterials are reviewed with specifically highlighted applications in catalysis and energy storage. HEA catalysts, in particular, will be discussed in detail regarding their effectiveness, selectiveness, and stability. Marine applications are explored given the inherent corrosion resistance of HEAs as well as superior antifouling properties that make HEAs an intriguing marine-ready material.
Maternal Magnolol Supplementation during Pregnancy and Lactation Promotes Antioxidant Capacity, Improves Gut Health, and Alters Gut Microbiota and Metabolites of Weanling Piglets
Authors: Fan Qiwen , Du Encun , Chen Fang , Tao Wenjing , Zhao Na , Huang Shaowen , Guo Wanzheng , Huang Jing , Wei Jintao
Published: June 2023

Maternal nutrition exerts a profound effect on the postnatal performance of offspring, especially during the weaning period. The multifunctional bioactive component magnolol (MAG) has shown promise as a dietary supplement. This study aimed to explore the effects of maternal MAG supplementation on the antioxidant capacity, gut health, gut microbiome, and metabolome composition of weanling piglets. Fifty pregnant sows were randomly divided into two equally sized groups, the control group and the group supplemented with 100 g/t MAG during the gestation and lactation periods, and 7 days postweaning, the pups were euthanized. The microbiome and metabolome features of weanling piglet colons were compared. Our results revealed that maternal MAG supplementation modified the serum redox status of weanling piglets by decreasing malondialdehyde concentration and increasing superoxide dismutase activity and total antioxidant capacity. Moreover, the decreased indicators of diarrhea were accompanied by improved gut barrier function, in which serum diamine oxidase concentration was decreased, and expressions of zona occludens-1, claudin-1, and intestinal alkaline phosphatase were increased in the colon of weanling piglets from sows supplemented with MAG. Further analysis of the gut microbiota indicated that maternal MAG supplementation significantly increased the relative abundance of beneficial bacteria in the colon of weanling piglets, including Faecalibacterium prausnitzii and Oscillospira. Metabolome analysis identified 540 differential metabolites in the colon of piglets from MAG-fed dams, of which glycerophospholipid classes were highly correlated with progeny gut health and key beneficial bacteria. Our findings indicated that maternal MAG supplementation can improve the oxidative status and gut health of weanling piglets, possibly due to alterations in the gut microbiota and metabolites.
Facile Preparation of Monodisperse Cu@Ag Core–Shell Nanoparticles for Conductive Ink in Printing Electronics
Authors: Li Gang , Yu Xuecheng , Zhang Ruoyu , Ouyang Qionglin , Sun Rong , Cao Liqiang , Zhu Pengli
Published: June 2023

Copper-based nanoinks are emerging as promising low-cost alternatives to widely used silver nanoinks in electronic printing. However, the spontaneous oxidation of copper under ambient conditions poses significant challenges to its broader application. To address this issue, this paper presents an economical, large-scale, and environmentally friendly method for fabricating Cu@Ag nanoparticles (Cu@Ag NPs). The as-prepared nanoparticles exhibit a narrow size distribution of approximately 100 nm and can withstand ambient exposure for at least 60 days without significant oxidation. The Cu@Ag-based ink, with a 60 wt% loading, was screen-printed onto a flexible polyimide substrate and subsequently heat-treated at 290 °C for 15 minutes under a nitrogen atmosphere. The sintered pattern displayed a low electrical resistivity of 25.5 μΩ·cm (approximately 15 times the resistivity of bulk copper) along with excellent reliability and mechanical fatigue strength. The innovative Cu@Ag NPs fabrication method holds considerable potential for advancing large-scale applications of copper-based inks in flexible electronics.
Phylogenetic Revisit to a Review on Predatory Bacteria
Authors: Kamada Saki , Wakabayashi Ryoka , Naganuma Takeshi
Published: June 2023

Predatory bacteria, along with the biology of their predatory behavior, have attracted interest in terms of their ecological significance and industrial applications, a trend that has been even more pronounced since the comprehensive review in 2016. This mini-review does not cover research trends, such as the role of outer membrane vesicles in myxobacterial predation, but provides an overview of the classification and newly described taxa of predatory bacteria since 2016, particularly with regard to phylogenetic aspects. Among them, it is noteworthy that in 2020 there was a major phylogenetic reorganization that the taxa hosting Bdellovibrio and Myxococcus, formerly classified as Deltaproteobacteria, were proposed as the new phyla Bdellovibrionota and Myxococcota, respectively. Predatory bacteria have been reported from other phyla, especially from the candidate divisions. Predatory bacteria that prey on cyanobacteria and predatory cyanobacteria that prey on Chlorella have also been found. These are also covered in this mini-review, and trans-phylum phylogenetic trees are presented.
Examination on the Occurrence of Coinfections in Diagnostic Transmittals in Cases of Stillbirth, Mummification, Embryonic Death, and Infertility (SMEDI) Syndrome in Germany
Authors: Eddicks Matthias , Gründl Julia , Seifert Annika , Eddicks Lina , Reese Sven , Tabeling Robert , Swam Hanny , Strutzberg-Minder Katrin , Ritzmann Mathias , Fux Robert
Published: June 2023

The stillbirth, mummification, embryonic death, and infertility (SMEDI) syndrome is most commonly associated with porcine parvovirus 1 (PPV1) infections. Little is known about the occurrence of coinfections with SMEDI-associated pathogens and the associations among these pathogens. In our study, we included 40 SMEDI-affected litters from 18 different farms. In total, 158 out of 358 available fetuses from diagnostic transmittals were selected by systematic random sampling and examined for PCV2, PCV3, PPV1, and Leptospira spp. by q-PCR. Results from diagnostic materials showed the following results: in eleven farms, PCV2 was present; in nine farms, PPV1 was present; in five farms, PCV3 was present; and in two farms, Leptospira spp. was present. The detection of Leptospira spp. was significantly associated with a PCV2 coinfection (OR: 26.3; p < 0.001). PCV3 positivity resulted in a reduced probability of detecting PCV2 in the corresponding fetus (OR: 0.078; p = 0.008). Fetal maceration was associated with Leptospira spp. detection (OR: 8.6; p = 0.003), whereas mummification (p = 0.047), reduced crown-rump length (p < 0.001), and bodyweight (p = 0.001) of fetuses were significantly associated with PPV1 and PCV2 coinfection and thus, presumably, a shorter time to death after infection, indicating an enhanced negative effect on the development of fetuses with PCV2 + PPV1 coinfection.
Sulfoximine Assisted C–H Activation and Annulation via Vinylene Transfer: Access to Unsubstituted Benzothiazines
Authors: Kondalarao Koneti , Sau Somratan , Sahoo Akhila K.
Published: June 2023

In this study, we report the synthesis of unsubstituted 1,2-benzothiazines through a redox-neutral Rh(III)-catalyzed C–H activation and [4+2]-annulation of S–aryl sulfoximines with vinylene carbonate. Notably, the introduction of an N-protected amino acid ligand significantly enhances the reaction rate. The key aspect of this redox-neutral process is the utilization of vinylene carbonate as an oxidizing acetylene surrogate and an efficient vinylene transfer agent. This vinylene carbonate enables the cyclization with the sulfoximine motifs, successfully forming a diverse array of 1,2-benzothiazine derivatives in moderate to good yields. Importantly, this study highlights the potential of Rh(III)-catalyzed C–H activation and [4+2]-annulation reactions for the synthesis of optically pure 1,2-benzothiazines with high enantiomeric purity.
Chemical and Sensory Characterization of Xinomavro Red Wine Using Grapes from Protected Designations of Northern Greece
Authors: Goulioti Elli , Jeffery David W. , Kanapitsas Alexandros , Lola Despina , Papadopoulos Georgios , Bauer Andrea , Kotseridis Yorgos
Published: June 2023

Despite Xinomavro (Vitis vinifera L.) being a well-known noble red grape variety of northern Greece, little is known about its ‘‘bouquet’’ typicity. Volatile compounds of Xinomavro wines produced using a common vinification protocol were analyzed by gas chromatography–mass spectrometry and sensory descriptive analysis was carried out with a trained panel. Wines were characterized by the presence of fatty acids, ethyl and acetate esters, and alcohols, with contributions from terpenes and a volatile phenol. The most active aroma compounds were determined to be 3-methylbutyl acetate, β-damascenone, ethyl esters of octanoic and hexanoic acids, and eugenol. Those compounds positively correlated with fruity and spicy odor descriptors, with the wines being mostly characterized by five typical aroma terms: strawberry, berry fruit, spices, tomato, and green bell pepper. Partial least squares regression (PLSR) analysis was used to visualize relationship between the orthonasal sensory attributes and the volatile aroma compounds with calculated OAVs > 1. Key aroma-active volatiles in the wines were identified using GC-MS/olfactometry, providing a list of 40 compounds, among which 13 presented a modified detection frequency > 70%. This study is the first of its kind and provided strong indications regarding the aroma compounds defining the sensory characteristics of Xinomavro wines.
Hierarchical Lotus-Seedpod-Derived Porous Activated Carbon Encapsulated with NiCo2S4 for a High-Performance All-Solid-State Asymmetric Supercapacitor
Authors: Cheng Siyi , Wang Xiaowu , Du Kang , Mao Yu , Han Yufei , Li Longxiao , Liu Xingyue , Wen Guojun
Published: June 2023

Converting biowaste into carbon-based supercapacitor materials provides a new solution for high-performance and environmentally friendly energy storage applications. Herein, the hierarchical PAC/NiCo2S4 composite structure was fabricated through the combination of activation and sulfuration treatments. The PAC/NiCo2S4 electrode garnered advantages from its hierarchical structure and hollow architecture, resulting in a notable specific capacitance (1217.2 F g−1 at 1.25 A g−1) and superior cycling stability. Moreover, a novel all-solid-state asymmetric supercapacitor (ASC) was successfully constructed, utilizing PAC/NiCo2S4 as the cathode and PAC as the anode. The resultant device exhibited exceptionally high energy (49.7 Wh kg−1) and power density (4785.5 W kg−1), indicating the potential of this biomass-derived, hierarchical PAC/NiCo2S4 composite structure for employment in high-performance supercapacitors.
Synthesis of Organic–Inorganic Hybrid Perovskite/MOF Composites from Pb–MOF Using a Mechanochemical Method
Authors: Han Xinlan , Li Jinhua , Tao Siyu , Dou Guowei , Mansur Sanawar , Zhang Xinqian
Published: June 2023

The specific structure and diverse properties of hybrid organic–inorganic perovskite materials make them suitable for use in photovoltaic and sensing fields. In this study, environmentally stable organic–inorganic hybrid perovskite luminescent materials using Pb–MOF as a particular lead source were prepared using a mechanochemical method. Based on the fluorescence intensity of the MAPbBr3/MOF composite, the mechanized chemical preparation conditions of Pb–MOF were optimized using response surface methodology. Then, the morphological characteristics of the MAPbBr3/MOF composite at different stages were analyzed using electron microscopy to explore its transformation and growth process. Furthermore, the composite form of MAPbBr3 with Pb–MOF was studied using XRD and XPS, and the approximate content of MAPbBr3 in the composite material was calculated. Benefiting from the increase in reaction sites generated from the crush of Pb–MOF during mechanical grinding, more MAPbBr3 was generated with a particle size of approximately 5.2 nm, although the morphology of the composite was significantly different from the initial Pb–MOF. Optimal performance of MAPbBr3/MOF was obtained from Pb–MOF prepared under solvent-free conditions, with a milling time of 30 min, milling frequency of 30 Hz and ball–material of 35:1. It was also confirmed that the mechanochemical method had a good universality in preparing organic–inorganic hybrid perovskite/MOF composites.
Exploration and Evaluation of Secondary Metabolites from Trichoderma harzianum: GC-MS Analysis, Phytochemical Profiling, Antifungal and Antioxidant Activity Assessment
Authors: Lakhdari Wassima , Benyahia Ibtissem , Bouhenna Mustapha Mounir , Bendif Hamdi , Khelafi Hafida , Bachir Hakim , Ladjal Amel , Hammi Hamida , Mouhoubi Dajwahir , Khelil Hanane , Alomar Taghrid S. , AlMasoud Najla , Boufafa Nabil , Boufahja Fehmi , Dehliz Abderrahmene
Published: June 2023

In this study, we investigated in vitro the potential of Trichoderma harzianum to produce bioactive secondary metabolites that can be used as alternatives to synthetic compounds. The study focused on analyzing two extracts of T. harzianum using ethyl acetate and n-butanol solvents with different polarities. The extracts were examined using phytochemical analysis to determine the content of polyphenols, flavonoids, tannins, and alkaloids. Thin-layer chromatography (TLC) and Gas chromatography-mass spectroscopy (GC-MS) analysis were used to profile volatile organic metabolites (VOCs) present in the extracts. Furthermore, the extracts were tested for their antifungal ability using the poison food technique. For measuring antioxidant activity, the 1,1-diphenyl-2-picryl-hydrazyl (DPPH) test was used. Trichoderma harzianum was shown to have a significantly high content of tannins and alkaloids, with a noticeable difference between the two extracts. GC-MS analysis identified 33 potential compounds with numerous benefits that could be used in agriculture and the medicinal industry. Moreover, strong antifungal activity was identified against Sclerotinia sclerotiorum by 94.44%, Alternaria sp. by 77.04%, and Fusarium solani by 51.48; similarly, the IC50 of antioxidant activity was estimated for ethyl acetate extract by 71.47% and n-butanol extract by 56.01%. This leads to the conclusion that Trichoderma harzianum VOCs play a significant role as an antifungal and antioxidant agent when taking into account the advantageous bioactive chemicals noted in the extracts. However, to our knowledge, this is the first study in Algeria presenting detailed phytochemical analysis and GC-MS profiling of Trichoderma harzianum for two extracts, ethyl acetate and n-butanol.
Novel Design of an α-Amylase with an N-Terminal CBM20 in Aspergillus niger Improves Binding and Processing of a Broad Range of Starches
Authors: Sidar Andika , Voshol Gerben P. , Vijgenboom Erik , Punt Peter J.
Published: June 2023

In the starch processing industry including the food and pharmaceutical industries, α-amylase is an important enzyme that hydrolyses the α-1,4 glycosidic bonds in starch, producing shorter maltooligosaccharides. In plants, starch molecules are organised in granules that are very compact and rigid. The level of starch granule rigidity affects resistance towards enzymatic hydrolysis, resulting in inefficient starch degradation by industrially available α-amylases. In an approach to enhance starch hydrolysis, the domain architecture of a Glycoside Hydrolase (GH) family 13 α-amylase from Aspergillus niger was engineered. In all fungal GH13 α-amylases that carry a carbohydrate binding domain (CBM), these modules are of the CBM20 family and are located at the C-terminus of the α-amylase domain. To explore the role of the domain order, a new GH13 gene encoding an N-terminal CBM20 domain was designed and found to be fully functional. The starch binding capacity and enzymatic activity of N-terminal CBM20 α-amylase was found to be superior to that of native GH13 without CBM20. Based on the kinetic parameters, the engineered N-terminal CBM20 variant displayed surpassing activity rates compared to the C-terminal CBM20 version for the degradation on a wide range of starches, including the more resistant raw potato starch for which it exhibits a two-fold higher Vmax underscoring the potential of domain engineering for these carbohydrate active enzymes.
Fused Triazinobenzimidazoles Bearing Heterocyclic Moiety: Synthesis, Structure Investigations, and In Silico and In Vitro Biological Activity
Authors: Anichina Kameliya , Georgiev Nikolai , Lumov Nikolay , Vuchev Dimitar , Popova-Daskalova Galya , Momekov Georgi , Cherneva Emiliya , Mihaylova Rositsa , Mavrova Anelia , Atanasova-Vladimirova Stela , Piroeva Iskra , Yancheva Denitsa
Published: June 2023

[1,3,5]Triazino[1,2-a]benzimidazole-2-amines bearing heterocyclic moiety in 4-position were synthesized. The compounds were characterized by elemental analysis, IR, 1H-NMR, 13C-NMR, and HRMS spectroscopy. The molecular geometry and electron structure of these molecules were theoretically studied using density functional theory (DFT) methods. The molecular structure of the synthesized fused triazinobenzimidazole was confirmed to correspond to the 3,4-dihydrotriazinobenzimidazole structure through the analysis of spectroscopic NMR data and DFT calculations. The antinematodic activity was evaluated in vitro on isolated encapsulated muscle larvae (ML) of Trichinella spiralis. The results showed that the tested triazinobenzimidazoles exhibit significantly higher efficiency than the conventional drug used to treat trichinosis, albendazole, at a concentration of 50 μg/mL. The compound 3c substituted with a thiophen-2-yl moiety exhibited the highest anthelmintic activity, with a larvicidal effect of 58.41% at a concentration of 50 μg/mL after 24 h of incubation. Following closely behind, the pyrrole analog 3f demonstrated 49.90% effectiveness at the same concentration. The preliminary structure-anti-T. spiralis activity relationship (SAR) of the analogues in the series was discussed. The cytotoxicity of the benzimidazole derivatives against two normal fibroblast cells (3T3 and CCL-1) and two cancer human cell lines (MCF-7 breast cancer cells and chronic myeloid leukemia cells AR-230) was evaluated using the MTT-dye reduction assay. The screening results indicated that the compounds showed no cytotoxicity against the tested cell lines. An in silico study of the physicochemical and pharmacokinetic characteristics of the novel synthesized fused triazinobenzimidazoles showed that they were characterized by a significant degree of drug-likeness and optimal properties for anthelmintic agents.
Synthesis of 4-(Phenylchalcogenyl)tetrazolo[1,5-a]quinolines by Bicyclization of 2-Azidobenzaldehydes with Phenylchalcogenylacetonitrile
Authors: Monzon Loana I. , Rocha Nicole C. M. , Quadros Gabriela T. , Nunes Pâmela P. P. , Cargnelutti Roberta , Jacob Raquel G. , Lenardão Eder J. , Perin Gelson , Hartwig Daniela
Published: June 2023

A general methodology to access valuable 4-(phenylchalcogenyl)tetrazolo[1,5-a]quinolines was developed by the reaction of 2-azidobenzaldehyde with phenylchalcogenylacetonitriles (sulfur and selenium) in the presence of potassium carbonate (20 mol%) as a catalyst. The reactions were conducted using a mixture of dimethylsulfoxide and water (7:3) as solvent at 80 °C for 4 h. This new methodology presents a good functional group tolerance to electron-deficient and electron-rich substituents, affording a total of twelve different 4-(phenylchalcogenyl)tetrazolo[1,5-a]quinolines selectively in moderate to excellent yields. The structure of the synthesized 4-(phenylselanyl)tetrazolo[1,5-a]quinoline was confirmed by X-ray analysis.
Radical Scavenging Capability and Mechanism of Three Isoflavonoids Extracted from Radix Astragali: A Theoretical Study
Authors: Lu Xiao-Qin , Qin Shu , Li Jindong
Published: June 2023

As a valuable traditional Chinese herbal medicine, Radix Astragali has attracted much attention due to its extensive pharmacological activities. In this study, density functional theory (DFT) was used thermodynamically and kinetically in detail to predict the antioxidant activity and reaction mechanisms involved in the free radical scavenging reactions of three representative isoflavonoids (formononetin, calycosin, and calycosin-7-glucoside) extracted from Radix Astragali. Three main mechanisms, including hydrogen atom transfer (HAT), proton transfer after electron transfer (SET-PT), and sequential proton loss electron transfer (SPLET) were examined by calculating the thermodynamic parameters. It was found that HAT is the predominant mechanism in the gas phase, while SPLET is supported in the solvent environment. The isoflavonoids’ order of antioxidant activity was estimated as: calycosin > calycosin-7-glucoside > formononetin. For the calycosin compound, the result revealed the feasibility of double HAT mechanisms, which involve the formation of stable benzodioxazole with significantly reduced energy in the second H+/e− reaction. In addition, the potential energy profiles and kinetic calculations show that the reaction of •OH into the 3′-OH site of calycosin has a lower energy barrier (7.2 kcal/mol) and higher rate constant (4.55 × 109 M−1 s−1) compared with other reactions in the gas phase.
The Microstructure Evolution and Formation Mechanism of Gradient Nanostructure Prepared on CrCoNi Medium-Entropy Alloy
Authors: Ning Dou , Lu Wenjie , Luo Xian , Yang Yanqing , Huang Bin
Published: June 2023

An equiatomic CrCoNi medium-entropy alloy was subjected to high-energy shot peening (HESP) to fabricate a gradient nanostructure (GNS) in this work. The microstructures of the GNS samples at different depths within the deformed layer were thoroughly investigated. The microstructure exhibited a transformation from unstressed coarse grains to deformed coarse grains, followed by the formation of ultrafine grains, and ultimately reaching a final nanocrystalline structure with a uniform size of approximately 50 nm. Detailed structural analysis indicated that the deformation process was primarily influenced by the interaction between dislocations and deformation twins, which was attributed to the low stacking fault energy (SFE) of the alloy. The nanocrystalline mechanism was divided into three stages. In the coarse-grained deformation stage, the dislocation band divided twin/matrix lamellae into sub-segments, and the cross twin divided coarse grains into ultrafine grains simultaneously. In the ultrafine grain deformation stage, dislocations were arranged around the deformation twins in order to break the twins to form incoherent boundaries, destroying the coherent relationship between the twin and matrix. Finally, in the nanocrystalline deformation stage, the nanocrystalline structure was further divided into smaller segments to accommodate additional strains through the interaction between dislocations and twins.
Does Iodine Intake Modify the Effect of Maternal Dysglycemia on Birth Weight in Mild-to-Moderate Iodine-Deficient Populations? A Mother–Newborn Prospective Cohort Study
Authors: Ovadia Yaniv S. , Gefel Dov , Toledano Yoel , Rosen Shani R. , Avrahami-Benyounes Yael , Groisman Ludmila , Rorman Efrat , Hen Lihi , Fytlovich Shlomo , Katz Liora S. , Anteby Eyal Y. , Shenhav Simon
Published: June 2023

It is unclear how maternal glycemic status and maternal iodine status influence birth weight among individuals with mild-to-moderate iodine deficiency (ID). We studied the association between birth weight and both maternal glucose levels and iodine intake among pregnant women with mild-to-moderate ID. Glucose values were assessed using a glucose challenge test (GCT) and non-fasting glucose levels that were determined before delivery; individuals’ iodine statuses were assessed using an iodine food frequency questionnaire; and serum thyroglobulin (Tg) and urinary iodine concentrations (UIC) were used to assess each group’s iodine status. Thyroid antibodies and free thyroxine (FT4) levels were measured. Obstetric and anthropometric data were also collected. Large-for-gestational age (LGA) status was predicted using a Cox proportional hazards model with multiple confounders. Tg > 13 g/L was independently associated with LGA (adjusted hazard ratio = 3.4, 95% CI: 1.4–10.2, p = 0.001). Estimated iodine intake correlated with FT4 among participants who reported consuming iodine-containing supplements (ICS) after adjusting for confounders (β = 0.4, 95% CI: 0.0002–0.0008, p = 0.001). Newborn weight percentiles were inversely correlated with maternal FT4 values (β = −0.2 95% CI:−0.08–−56.49, p = 0.049). We conclude that in mild-to-moderate ID regions, insufficient maternal iodine status may increase LGA risk. Iodine status and ICS intake may modify the effect that maternal dysglycemia has on offspring weight.
MicroRNAs-Based Theranostics against Anesthetic-Induced Neurotoxicity
Authors: Minz Roseleena , Sharma Praveen Kumar , Negi Arvind , Kesari Kavindra Kumar
Published: June 2023

Various clinical reports indicate prolonged exposure to general anesthetic-induced neurotoxicity (in vitro and in vivo). Behavior changes (memory and cognition) are compilations commonly cited with general anesthetics. The ability of miRNAs to modulate gene expression, thereby selectively altering cellular functions, remains one of the emerging techniques in the recent decade. Importantly, engineered miRNAs (which are of the two categories, i.e., agomir and antagomir) to an extent found to mitigate neurotoxicity. Utilizing pre-designed synthetic miRNA oligos would be an ideal analeptic approach for intervention based on indicative parameters. This review demonstrates engineered miRNA’s potential as prophylactics and/or therapeutics minimizing the general anesthetics-induced neurotoxicity. Furthermore, we share our thoughts regarding the current challenges and feasibility of using miRNAs as therapeutic agents to counteract the adverse neurological effects. Moreover, we discuss the scientific status and updates on the novel neuro-miRNAs related to therapy against neurotoxicity induced by amyloid beta (Aβ) and Parkinson’s disease (PD).
Effects of Photobiomodulation Using Low-Level Laser Therapy on Alveolar Bone Repair
Authors: Rando Renata Gonçalves , Buchaim Daniela Vieira , Cola Paula Cristina , Buchaim Rogerio Leone
Published: June 2023

Alveolar bone repair is a complex and extremely important process, so that functions such as the mastication, occlusion and osseointegration of implants can be properly reestablished. Therefore, in order to optimize this process, many procedures have been used, such as grafting with biomaterials and the application of platelet-rich fibrin (PRF). Another method that has been studied is the use of photobiomodulation (PBM) with the use of low-level laser therapy (LLLT), which, through the absorption of photons by the tissue, triggers photochemical mechanisms in the cells so that they start to act in the search for homeostasis of the affected region. Therefore, the objective of this review was to analyze the use of LLLT as a possible auxiliary tool in the alveolar bone repair process. A search was carried out in scientific databases (PubMed/MEDLINE, Web of Science, Scopus and Cochrane) regarding the following descriptors: “low-level laser therapy AND alveolar bone repair” and “photobiomodulation AND alveolar bone repair”. Eighteen studies were selected for detailed analysis, after excluding duplicates and articles that did not meet predetermined inclusion or non-inclusion criteria. According to the studies, it has been seen that LLLT promotes the acceleration of alveolar repair due to the stimulation of ATP production, activation of transcription and growth factors, attenuation of the inflammatory process and induction of angiogenesis. These factors depend on the laser application protocol, and the Gallium Aluminum Arsenide—GaAlAs laser, with a wavelength of 830 nm, was the most used and, when applications of different energy densities were compared, the highest dosages showed themselves to be more efficient. Thus, it was possible to conclude that PBM with LLLT has beneficial effects on the alveolar bone repair process due to its ability to reduce pain, the inflammatory process, induce vascular sprouting and, consequently, accelerate the formation of a new bone matrix, favoring the maintenance or increase in height and/or thickness of the alveolar bone ridge.
Relocking and Locking Range Extension of Partially Locked AMLL Cavity Modes with Two Detuned RF Sinusoids
Authors: Krishnamoorthy Shree , Prabhakar Anil
Published: June 2023

Actively mode-locked fiber ring lasers (AMLLs) with loss modulators are used to generate approximately 100ps pulses with 100MHz repetition. RF detuning around the fundamental frequency, f0, causes a loss in phase lock (unlocking) of cavity modes and partial mode locking. Multiple RF inputs are shown, theoretically, to relock and extend the locking range of cavity modes in a detuned partially mode-locked AMLL. A custom-built Yb3+-doped AMLL with f0=26MHz, and operating wavelength of 1064nm, was used to experimentally verify the theoretical predictions. Two RF sinusoidal signals with constant phase and equal amplitude resulted in an extension of the range by Xn=6.4kHz in addition to the range Rn=14.34kHz with single input for the mode n=10. An increase in locking range was also observed for higher modes. Pulsewidth reduction to approximately 205ps from about 2ns was also observed in the AMLL.
Special Issue “Photonics for Emerging Applications in Communication and Sensing”
Authors: Lu Guo-Wei , Cheng Zhenzhou , Xiao Ting-Hui
Published: June 2023

Photonics has emerged as a crucial enabler for various emerging applications in communication and sensing, revolutionizing industries such as data centers, autonomous driving, 5G wireless networks, cloud computing, the IoT, and virtual reality [...]
Proposal for Optomagnonic Teleportation and Entanglement Swapping
Authors: Fan Zhiyuan , Zuo Xuan , Qian Hang , Li Jie
Published: June 2023

A protocol for realizing discrete-variable quantum teleportation in an optomagnonic system is provided. Using optical pulses, an arbitrary photonic qubit state encoded in orthogonal polarizations is transferred onto the joint state of a pair of magnonic oscillators in two macroscopic yttrium-iron-garnet (YIG) spheres that are placed in an optical interferometer. We further show that optomagnonic entanglement swapping can be realized in an extended dual-interferometer configuration with a joint Bell-state detection. Consequently, magnon Bell states are prepared. We analyze the effect of the residual thermal occupation of the magnon modes on the fidelity in both the teleportation and entanglement swapping protocols. The work may find applications in the study of macroscopic quantum states, quantum information processing, and hybrid quantum networks based on magnonics.