bluuebunny/crossref_metadata_2025 huggingface dataset:
Mycelium-Based Composite Materials: Study of Acceptance
Authors: Bonenberg Agata , Sydor Maciej , Cofta Grzegorz , Doczekalska Beata , Grygorowicz-Kosakowska Klaudia
Published: March 2023

Mycelium-based composites (MBCs) are alternative biopolymers for designing sustainable furniture and other interior elements. These innovative biocomposites have many ecological advantages but present a new challenge in aesthetics and human product acceptance. Grown products, made using living mycelium and lignocellulosic substrates, are porous, have irregular surfaces and have irregular coloring. The natural origin of these types of materials and the fear of fungus can be a challenge. This research investigated the level of human acceptance of the new material. Respondents were students of architecture who can be considered as people involved in interior design and competent in the design field. Research has been performed on the authors’ prototype products made from MBCs. Three complementary consumer tests were performed. The obtained results measured the human reactions and demonstrated to which extents products made of MBCs were “likeable” and their nonobvious aesthetics were acceptable to the public. The results showed that MBC materials generally had a positive or not-negative assessment. The responses after the pairwise comparison of the MBC with wall cladding samples pointed out the advantage of ceramic reference material above the MBC based on an overall assessment. The respondents also believed that the chamotte clay cladding would be easier to fit into the aesthetics of a modern interior and would in better accordance with its style. Although the MBC was less visually appealing, the respondents nevertheless found it more interesting, original, and environmentally friendly. The experiments suggested that the respondents had double standards regarding MBCs. MBCs were generally accepted as ecological, but not in their own homes. All of these results support current and future applications of MBCs for manufacturing items where enhanced aesthetics are required.
Effect of Cutting Fluid on Milled Surface Quality and Tool Life of Aluminum Alloy
Authors: Pang Shuoshuo , Zhao Wenxiang , Qiu Tianyang , Liu Weiliang , Yan Pei , Jiao Li , Wang Xibin
Published: March 2023

The machining process of aluminum alloy usually produces built-up edge and tool sticking problems due to their low hardness and large plastic deformation, which may further affect the machined surface quality and tool life. This paper aims to investigate the influence of different cutting fluids on the machined surface quality and tool life during the milling process of 7050 aluminum alloy. A novel cutting fluid (QC-2803) was considered in the study, which is synthesized by addition of alkyl alcohol amide and chlorinated polyolefin, and the traditional cutting fluid (CCF-10) was used as the control group. The physical and chemical properties of two cutting fluids were characterized. The milling process of 7050 aluminum alloy was carried out under two different cutting fluid conditions. The machined surface morphology, cutting force and tool wear morphology were observed during the process. Results show that the surface tension of the novel cutting fluid is significantly lower than that of the traditional cutting fluid, which makes it easier to produce a lubricating film between the aluminum alloy and tool, and further benefits the machined surface quality and tool life. As a result, the surface roughness and cutting force are reduced by ~20.0% and ~42.9%, respectively, and the tool life is increased by 25.6% in the case of the novel cutting fluid (QC-2803). The results in this paper revealed the important laws of cutting fluid with metal surface quality, cutting performance and tool wear, which helps to control the machined surface quality and tool life by the selection of cutting fluid during metal milling.
High-Performance Broadband Bistatic Piezoelectric Composite Array for Application in Ship Wake Detection
Authors: Tian Fenghua , Tian Wenqiang , Liu Yiming , Ma Ruilei , Ding Yongquan , Hao Bao’an
Published: March 2023

In the far-field wake of a ship, the intensity of the scattering of bubbles is relatively weak. In addition, the wake is relatively thin, and the hole phenomenon is prominent. Thus, it is difficult to detect the wake at a long distance. On this basis, this paper studies a broadband 1–3 high-performance composite transceiver sub-array for the improved detection of a ship’s far wake flow field. The content includes frequency characteristics, transmission performance, power tolerance, the beam width of the transmitting array, and the frequency characteristics, reception performance, and beam width of the receiving array. The frequency bandwidth of the transmission array developed in this paper can reach a value of 180 kHz (the center frequency is 390 kHz). The maximum sound source level can reach a value of 228 dB. In the same frequency band, the sensitivity of the receiving array can reach a value of 184 dB, and the fluctuation is less than 5 dB. Compared with the narrowband 1–3 composite array of the same size, the acoustic performance of this sub-array has obvious advantages. Finally, to improve the effective sound path (before the first interface reflection of the sound wave) of the emitted sound wave in the ship’s far-field wake, combined with the speed of the moving carrier and the wide-band detection method of the ship’s wake, the configuration method of the detection array for the width and direction of the ship’s far-field wake is proposed. The results of this research have an important reference value for the research on broadband 1–3 high-performance composite arrays and their application in the far-field wake detection of ships.
Study on Shear Behavior and Failure Characteristics of Bolted Anisotropic Rock Joints
Authors: Jiang Yujing , Li Xinpeng , Liu Jiankang , Luan Hengjie , Zhang Sunhao , Wang Changsheng , Wang Dong
Published: March 2023

Anisotropic discontinuity exists widely in rock masses of mines, tunnels, slopes, water conservancy and hydropower projects. The shear characteristics of bolted anisotropic rock joints are extremely important for the stability design of engineering rock mass. However, few scholars have studied the bolted anisotropic rock joint. The different rock properties on both sides of the rock joint, especially the different rock strengths, will greatly affect the deformation characteristics and failure mode of the rock mass. Based on this, a series of shear tests were carried out on the bolted anisotropic rock joint under different normal stresses, and the characteristics of shear stress–shear displacement curve, shear strength, failure characteristics of the rock joint and deformation characteristics of the bolt are discussed. λ is defined as the strength ratio of upper and lower rock on the structural surface. The results show that the effect of λ on the shear stress–shear displacement curve is not obvious at the pre-fracture stage. The shear stress–shear displacement curve at the pre-breaking stage of the bolt presents a softening stage when the normal stress is equal to 0.5 MPa, tends to be horizontal when the normal stress is equal to 1 MPa and presents a hardening stage when the normal stress is greater than 1 MPa. After the bolt is broken, the shear stress–shear displacement curve presents a stepped-down descent. With the increase in λ, the breaking shear stress of the bolt increases. Elliptic failure occurs on the surface of the bolted anisotropic rock joint, and the length of the major axis of the ellipse decreases with the increase in λ value and normal stress. The bolts with different λ values of anisotropic rock joint show “Z-shaped” tensile bending deformation characteristics after shear fracture, and the horizontal and vertical components of the bolt deformation decrease with the increase in λ value and normal stress. The fracture shear displacement of the bolt increases with the increase in normal stress and decreases with the increase in λ value. The research results are helpful to further understand the shear mechanical characteristics and differences of bolted rock joints and provide a reference for solving the engineering problems of the composite layered rock mass.
Tribological Aspects of Sheet Titanium Forming
Authors: Więckowski Wojciech , Adamus Janina , Dyner Marcin , Motyka Maciej
Published: March 2023

Friction, wear, and lubrication are inherent to all metal-forming processes. Unfortunately, they are particularly troublesome when forming titanium materials, which tend to form titanium buildup on the working surfaces of the forming tools. Lubrication is one of the most effective ways to separate contacting surfaces and eliminate galling, thus reducing tool wear. The paper presents the tribological aspects of titanium sheets forming using environmentally friendly lubricants with the addition of boric acid. The lubricant’s effectiveness was assessed on the basis of technological tests, such as the strip drawing test, the Erichsen cupping test, and the formation of spherical drawn parts in industrial conditions. Moreover, the results of the numerical simulation of forming a titanium hat-shaped part are presented. Numerical calculations of forming processes were performed using the PamStamp 2G system based on the finite element method. Both experiments and numerical analyses showed the positive effect of lubricants with boric acid on sheet titanium forming.
Barbed Dental Ti6Al4V Alloy Screw: Design and Bench Testing
Authors: Lovera-Prado Keila , Vanaclocha Vicente , Atienza Carlos M. , Vanaclocha Amparo , Jordá-Gómez Pablo , Saiz-Sapena Nieves , Vanaclocha Leyre
Published: March 2023

Background context. Dental implants are designed to replace a missing tooth. Implant stability is vital to achieving osseointegration and successful implantation. Although there are many implants available on the market, there is room for improvement. Purpose. We describe a new dental implant with improved primary stability features. Study design. Lab bench test studies. Methods. We evaluated the new implant using static and flexion–compression fatigue tests with compression loads, 35 Ncm tightening torque, displacement control, 0.01 mm/s actuator movement speed, and 9–10 Hz load application frequency, obtaining a cyclic load diagram. We applied variable cyclic loadings of predetermined amplitude and recorded the number of cycles until failure. The test ended with implant failure (breakage or permanent deformation) or reaching five million cycles for each load. Results. Mean stiffness was 1151.13 ± 133.62 SD N/mm, mean elastic limit force 463.94 ± 75.03 SD N, and displacement 0.52 ± 0.04 SD mm, at failure force 663.21 ± 54.23 SD N and displacement 1.56 ± 0.18 SD mm, fatigue load limit 132.6 ± 10.4 N, and maximum bending moment 729.3 ± 69.43 mm/N. Conclusions. The implant fatigue limit is satisfactory for incisor and canine teeth and between the values for premolars and molars for healthy patients. The system exceeds five million cycles when subjected to a 132.60 N load, ensuring long-lasting life against loads below the fatigue limit.
Speciation of Hexavalent Chromium in Aqueous Solutions Using a Magnetic Silica-Coated Amino-Modified Glycidyl Methacrylate Polymer Nanocomposite
Authors: Suručić Ljiljana , Janjić Goran , Marković Bojana , Tadić Tamara , Vuković Zorica , Nastasović Aleksandra , Onjia Antonije
Published: March 2023

A new magnetic amino-functionalized polymeric sorbent based on glycidyl methacrylate was synthesized and used in the separation of chromium Cr(VI) oxyanions sorption from aqueous solutions in a static batch system. The kinetic and isothermal parameters of the sorption process were determined. The experimental data were best fitted by a pseudo-second-order model with R2 = 0.994 and χ2 = 0.004. The sorption process of Cr(VI) removal by amino-functionalized sorbent was controlled by both intraparticle diffusion and liquid film diffusion. The equilibrium results showed that the sorption process is best described by the Freundlich model, followed closely by the Sips isotherm model, with a maximum sorption capacity of 64 mg/g. Quantum chemical modeling revealed that the sorption sites on the sorbent surface are fragments with diethylenetriamine and aminopropyl silane groups that coated the magnetic nanoparticles. The calculations showed that Cr(VI) oxyanions (Cr2O72−, CrO42− and HCrO4−) bind to both sorption sites, with diethylenetriamine centers slightly favored. The X-ray photoelectron spectroscopy (XPS) spectra demonstrate that the chromium bound to the sorbent in the form of Cr(III), indicating that the Cr(VI) can be converted on the surface of the sorbent to a less harmful form Cr(III) due to the sorbent’s chemical composition.
Effects of Heat Treatment on the Interface Microstructure and Mechanical Properties of Friction-Stir-Processed AlCoCrFeNi/A356 Composites
Authors: Hu Shengqing , Wang Kai , Ma Simu , Qi Haoran , He Naijun , Li Fuguo
Published: March 2023

Equiatomic AlCoCrFeNi high-entropy alloy (HEA) has gained significant interest in recent years because of its excellent mechanical properties. A356 aluminum alloy reinforced by AlCoCrFeNi HEA particles was fabricated by friction stir processing (FSP) and subsequent heat treatment. Solution and aging treatments were specially performed for the composites to control the interface microstructure, and interfacial microstructure and tensile properties were explored at different conditions. The interface between the matrix and HEA particles showed a dual-layered core–shell structure and the thickness of the shell region increased with the solution time. The microstructure located in the shell layers consisted of a solid solution with increasing aluminum content, in which a radial-shaped solid solution phase formed in the region close to the core of the HEA particle and scattered solid solution grains with high Ni content formed in the region close to the matrix alloy. The gradient of composition and microstructure across the HEA/Al interface can be obtained through heat treatment, and an optimal interface bonding state and mechanical property were obtained after solution treatment for 2 h. Compared with FSPed A356 aluminum alloy, the FSPed composite enhanced the tensile stress by 60 MPa and the stain by 5% under the optimized conditions. The overgrowth of the shell layer decreased both the tensile strength and the ductile greatly due to the formation of a radial-shaped solid solution phase in the shell region.
A Game-Theoretic Approach for Rendering Immersive Experiences in the Metaverse
Authors: Bandyopadhyay Anjan , Sarkar Ansh , Swain Sujata , Banik Debajyoty , Hassanien Aboul Ella , Mallik Saurav , Li Aimin , Qin Hong
Published: March 2023

The metaverse is an upcoming computing paradigm aiming towards blending reality seamlessly with the artificially generated 3D worlds of deep cyberspace. This giant interactive mesh of three-dimensional reconstructed realms has recently received tremendous attention from both an academic and commercial point of view owing to the curiosity instilled by its vast possible use cases. Every virtual world in the metaverse is controlled and maintained by a virtual service provider (VSP). Interconnected clusters of LiDAR sensors act as a feeder network to these VSPs which then process the data and reconstruct the best quality immersive environment possible. These data can then be leveraged to provide users with highly targeted virtual services by building upon the concept of digital twins (DTs) representing digital analogs of real-world items owned by parties that create and establish the communication channels connecting the DTs to their real-world counterparts. Logically, DTs represent data on servers where postprocessing can be shared easily across VSPs, giving rise to new marketplaces and economic frontiers. This paper presents a dynamic and distributed framework to enable high-quality reconstructions based on incoming data streams from sensors as well as to allow for the optimal allocation of VSPs to users. The optimal synchronization intensity control problem between the available VSPs and the feeder network is modeled using a simultaneous differential game, while the allocation of VSPs to users is modeled using a preference-based game-theoretic approach, where the users give strict preferences over the available VSPs.
Applications of Antioxidant Secondary Metabolites of Sargassum spp.
Authors: Catarino Marcelo D. , Silva-Reis Rita , Chouh Amina , Silva Sónia , Braga Susana S. , Silva Artur M. S. , Cardoso Susana M.
Published: March 2023

Sargassum is one of the largest and most diverse genus of brown seaweeds, comprising of around 400 taxonomically accepted species. Many species of this genus have long been a part of human culture with applications as food, feed, and remedies in folk medicine. Apart from their high nutritional value, these seaweeds are also a well-known reservoir of natural antioxidant compounds of great interest, including polyphenols, carotenoids, meroterpenoids, phytosterols, and several others. Such compounds provide a valuable contribution to innovation that can translate, for instance, into the development of new ingredients for preventing product deterioration, particularly in food products, cosmetics or biostimulants to boost crops production and tolerance to abiotic stress. This manuscript revises the chemical composition of Sargassum seaweeds, highlighting their antioxidant secondary metabolites, their mechanism of action, and multiple applications in fields, including agriculture, food, and health.
Swim Bladder of Farmed Totoaba macdonaldi: A Source of Value-Added Collagen
Authors: Cruz-López Honorio , Rodríguez-Morales Sergio , Enríquez-Paredes Luis M. , Villarreal-Gómez Luis Jesús , True Conal , Olivera-Castillo Leticia , Fernández-Velasco D. Alejandro , López Lus M.
Published: March 2023

Finding strategies to use the swim bladder of farmed totoaba (Totoaba macdonaldi) is of the utmost need to reduce waste. Fish swim bladders are rich in collagen; hence, extracting collagen is a promising alternative with benefits for aquaculture of totoaba and the environment. The elemental biochemical composition of totoaba swim bladders, including their proximate and amino acid compositions, was determined. Pepsin-soluble collagen (PSC) was used to extract collagen from swim bladders, and its characteristics were analyzed. Alcalase and papain were used for the preparation of collagen hydrolysates. Swim bladders contained 95% protein, 2.4% fat, and 0.8% ash (on a dry basis). The essential amino acid content was low, but the functional amino acid content was high. The PSC yield was high, at 68% (dry weight). The amino acid composition profile, electrophoretic pattern, and structural integrity analyses of the isolated collagen suggested it is a typical type-I collagen with high purity. The denaturalization temperature was 32.5 °C, probably attributable to the imino acid content (205 residues/1000 residues). Papain-hydrolysates (≤3 kDa) of this collagen exhibited higher radical scavenging activity than Alcalase-hydrolysates. The swim bladder from the farmed totoaba could be an ideal source to produce high-quality type I collagen and may be considered an alternative to conventional collagen sources or bioactive peptides.
Room-Temperature Self-Healing Conductive Elastomers for Modular Assembly as a Microfluidic Electrochemical Biosensing Platform for the Detection of Colorectal Cancer Exosomes
Authors: Wang Mei , Zhang Zilin , Li Guangda , Jing Aihua
Published: March 2023

Modular components for rapid assembly of microfluidics must put extra effort into solving leakage and alignment problems between individual modules. Here, we demonstrate a conductive elastomer with self-healing properties and propose a modular microfluidic component configuration system that utilizes self-healing without needing external interfaces as an alternative to the traditional chip form. Specifically, dual dynamic covalent bond crosslinks (imine and borate ester bonds) established between Polyurethane (PU) and 2-Formylbenzeneboronic acid (2-FPBA) are the key to a hard room-temperature self-healing elastomeric substrate PP (PU/2-FPBA). An MG (MXene/GO) conductive network with stable layer spacing (Al-O bonds) obtained from MXene and graphene oxide (GO) by in situ reduction of metals confers photothermal conductivity to PP. One-step liquid molding obtained a standardized modular component library of puzzle shapes from PP and MGPP (MG/PP). The exosomes were used to validate the performance of the constructed microfluidic electrochemical biosensing platform. The device has a wide detection range (50–105 particles/μL) and a low limit of detection (LOD) (42 particles/μL) (S/N = 3), providing a disposable, reusable, cost-effective, and rapid analysis platform for quantitative detection of colorectal cancer exosomes. In addition, to our knowledge, this is the first exploration of self-healing conductive elastomers for a modular microfluidic electrochemical biosensing platform.
Nasal Bacteriomes of Patients with Asthma and Allergic Rhinitis Show Unique Composition, Structure, Function and Interactions
Authors: Pérez-Losada Marcos , Castro-Nallar Eduardo , Laerte Boechat José , Delgado Luis , Azenha Rama Tiago , Berrios-Farías Valentín , Oliveira Manuela
Published: March 2023

Allergic rhinitis and asthma are major public health concerns and economic burdens worldwide. However, little is known about nasal bacteriome dysbiosis during allergic rhinitis, alone or associated with asthma comorbidity. To address this knowledge gap we applied 16S rRNA high-throughput sequencing to 347 nasal samples from participants with asthma (AS = 12), allergic rhinitis (AR = 53), allergic rhinitis with asthma (ARAS = 183) and healthy controls (CT = 99). One to three of the most abundant phyla, and five to seven of the dominant genera differed significantly (p < 0.021) between AS, AR or ARAS and CT groups. All alpha-diversity indices of microbial richness and evenness changed significantly (p < 0.01) between AR or ARAS and CT, while all beta-diversity indices of microbial structure differed significantly (p < 0.011) between each of the respiratory disease groups and controls. Bacteriomes of rhinitic and healthy participants showed 72 differentially expressed (p < 0.05) metabolic pathways each related mainly to degradation and biosynthesis processes. A network analysis of the AR and ARAS bacteriomes depicted more complex webs of interactions among their members than among those of healthy controls. This study demonstrates that the nose harbors distinct bacteriotas during health and respiratory disease and identifies potential taxonomic and functional biomarkers for diagnostics and therapeutics in asthma and rhinitis.
First Detection and Molecular Characterization of Usutu Virus in Culex pipiens Mosquitoes Collected in Romania
Authors: Prioteasa Florian Liviu , Dinu Sorin , Tiron Georgiana Victorița , Stancu Ioana Georgeta , Fălcuță Elena , Ceianu Cornelia Svetlana , Cotar Ani Ioana
Published: March 2023

Usutu virus (USUV) is an emergent arbovirus in Europe causing mortality in bird populations. Similar to West Nile virus (WNV), USUV is maintained in sylvatic cycles between mosquito vectors and bird reservoirs. Spillover events may result in human neurological infection cases. Apart from indirect evidence provided by a recent serological study in wild birds, the circulation of USUV in Romania was not assessed. We aimed to detect and molecular characterize USUV circulating in mosquito vectors collected in South-Eastern Romania—a well-known WNV endemic region—during four transmission seasons. Mosquitoes were collected from Bucharest metropolitan area and Danube Delta, pooled, and screened by real-time RT-PCR for USUV. Partial genomic sequences were obtained and used for phylogeny. USUV was detected in Culex pipiens s.l. female mosquitoes collected in Bucharest, in 2019. The virus belonged to Europe 2 lineage, sub-lineage EU2-A. Phylogenetic analysis revealed high similarity with isolates infecting mosquito vectors, birds, and humans in Europe starting with 2009, all sharing common origin in Northern Italy. To our knowledge, this is the first study characterizing a strain of USUV circulating in Romania.
Genetic Analysis of Infectious Bronchitis Virus S1 Gene Reveals Novel Amino Acid Changes in the GI-16 Lineage in Peru
Authors: Icochea Eliana , González Rosa , Castro-Sanguinetti Gina , Maturrano Lenin , Alzamora Luis , Sesti Luiz , Chacón Jorge , More-Bayona Juan
Published: March 2023

Infectious bronchitis is a highly contagious viral disease that represents an economic threat for poultry despite the wide use of vaccination. To characterize the virus circulating in Peru, we analyzed 200 samples, including nasopharyngeal swabs and multiple tissues collected from animals suspected of being infected with infectious bronchitis virus (IBV) between January and August in 2015. All animals had at least one positive sample for IBV by RT-PCR. Out of these positive samples, eighteen (18) were selected for viral isolation and a partial S1 sequencing. Phylogenetic analysis showed that sixteen isolates clustered with members of GI-16 lineage, also known as Q1, with nucleotide homology ranging from 93% to 98%. The two remaining isolates grouped with members of the GI-1 lineage. Our study reveals circulation of GI-16 lineage during this period in poultry systems in Peru, along with GI-1 lineage (vaccine-derived). Moreover, those IBV GI-16 isolates showed unique nucleotide and amino acid changes compared to their closest relatives. Altogether, these findings reveal the circulation of GI-16 lineage while describing changes at key regions of the S protein that might be of relevance for vaccine evasion. These results highlight the importance of genetic surveillance for improving vaccination strategies against infectious bronchitis.
A Negative Value of the Non-Darcy Flow Coefficient in Pore-Fracture Media under Hydro-Mechanical Coupling
Authors: Zhang Ying , Shang Qingqing , Zhang Dongsheng , Pan Jiliang , Xi Xun , Wang Peitao , Cai Meifeng
Published: March 2023

The Forchheimer equation is widely used in studying non-Darcy flow. Non-Darcy flow coefficient β in the Forchheimer equation is generally thought to be positive, and there are few studies on negative values. In this work, we performed seepage tests on sandstone samples with single, T-shaped, and Y-shaped fractures under different confining pressures, water pressures, and angles to analyze the nonlinear seepage behaviors and the features of Forchheimer’s coefficients of water flow in pore-fracture media. At the same time, the flow trajectory of the fluid inside the sample is studied by numerical simulation. The results showed that β was negative in the seepage test in pore-fracture media. The angle of the single-fracture sandstone sample had a greater influence on the seepage characteristic of the pore-fracture media; angles of the sandstone samples with T-shaped and Y-shaped fractures had a relatively small impact. The relationship between β and inherent permeability k was following a power function, and the differences in the seepage characteristics between the three fractures were compared. The use of the normalized hydraulic conductivity method is used to evaluate the applicability of Darcy’s law. Finally, we explained the primary cause of non-linear seepage behaviors with negative β in fractured sandstone samples.
Middle-Late Eocene Climate in the Pearl River Mouth Basin: Evidence from a Palynological and Geological Element Record in the Xijiang Main Subsag
Authors: Peng Guangrong , Chen Weitao , Jia Peimeng , Luo Ming , He Ye , Jin Yaoyao , Xu Chuan , Shan Xuanlong
Published: March 2023

The temperature changes in the middle-late Eocene had a profound impact on various ecosystems around the world. This has been confirmed not only in marine sediments but also in lake ecosystems, which have provided more detailed isochronous continental sedimentary records. Based on systematic palynological and element analyses of fine-grained lacustrine sediments from the Xijiang main subsag in the Pearl River Mouth Basin, southern China, we reconstructed the climate evolution of the middle-late Eocene. A total of 73 genera and 115 species of sporopollen fossils were identified from the middle-late Eocene in the study area. Three pollen zones comprising Quercoidites–Polypodiaceaesporites–Pinuspollenites, Pinuspollenites–Ulmipollenites–Cedripites, and Pinuspollenites–Abietineaepollenites–Juglanspollenites were established from bottom to top. The analysis of the vegetation types, climatic zones, and dry–humid types of the sporopollen showed that, in the study area, the Eocene was dominated by a subtropical–warm temperate climate: the early-late Eocene was dominated by a temperate climate, and the late Eocene was characterized by the prevalence of a warm temperate climate, which was consistent with the palaeoclimate reconstruction results for element geochemical indices (Fe/Mn, Sr/Cu, CIA, PIA, etc.). In addition, the comparative study showed that the middle-late Eocene in the study area was characterized by a warm and humid climate, which transitioned to a warm and cool semihumid–semiarid climate and then a warm and cool semihumid climate. These findings demonstrated a good coupling relationship with the trend for the changes in the global palaeotemperature and can be used as an isochronous continental sedimentary response.
Chemical Characterization and Antioxidant, Antibacterial, Antiacetylcholinesterase and Antiproliferation Properties of Salvia fruticosa Miller Extracts
Authors: Dawra Michella , Bouajila Jalloul , El Beyrouthy Marc , Abi Rizk Alain , Taillandier Patricia , Nehme Nancy , El Rayess Youssef
Published: March 2023

The Salvia fruticosa (Mill.) is the most medicinal plant used in Lebanon. The aim of this study is to investigate the phytochemical composition and the biological activities (in vitro) of its extracts. The plant was extracted by cold maceration with four solvents presenting an increasing polarity: cyclohexane (CHX), dichloromethane (DCM), ethyl acetate (EtOAc) and methanol (MeOH). The extracts were screened for their chemical composition by a HPLC-DAD detector for phenolic compounds identification and quantification and by GC-MS for volatile compounds detection. The antioxidant capacity (DPPH inhibition) was tested. Biological activities, mainly anti-Alzheimer activity (acetylcholinesterase inhibition), the antiproliferation of two human colon cancer cell lines (HCT-116 and Caco-2 cells) and antibacterial activity, were evaluated. Ten aromatic compounds were quantified by HPLC-DAD analysis. A total of 123 compounds were detected by GC-MS analysis. The MeOH extract showed a very interesting antioxidant activity with an inhibition percentage (IP) of 76.1% and an IC50 of 19.4 μg/mL. The EtOAc extract exhibited the strongest inhibition against the acetylcholinesterase activity (IP = 60.6%) at 50 μg/mL. It also strongly inhibited the proliferation of the HCT-116 cells (IP = 87.5%), whereas the DCM extract gave the best result with the Caco-2 cells (IP = 72.3%). The best antibacterial activity was obtained with the MeOH extract against Staphylococcus aureus (MIC = 1.2 μg/mL) and with the EtOAc extract against Escherichia coli (MIC = 2.4 μg/mL). This study highlights the chemical composition and therapeutic potential of S. fruticosa. It is important to mention that the following chemical compounds were identified for the first time in plant extracts: 2,6,11,15-tetramethyl-hexadeca-2,6,8,10,14-pentaene; 4,5,6,7-tetrahydroxy-1,8,8,9-tetramethyl-8,9-dihydrophenaleno [1,2-b]furan-3-one; podocarpa-1,8,11,13-tetraen-3-one,14-isopropyl-1,13-dimethoxy; podocarpa-8,11,13-trien-3-one,12-hydroxy-13-isopropyl-,acetate; 3′,8,8′-trimethoxy-3-piperidin-1-yl-2,2′-binaphthyl-1,1′,4,4′-tetrone; and 2,3-dehydroferruginol, thus underlining the originality of this study.
Exploring the Potential of Phytocompounds for Targeting Epigenetic Mechanisms in Rheumatoid Arthritis: An In Silico Study Using Similarity Indexing
Authors: Deshpande Sanjay H. , Bagewadi Zabin K. , Khan T. M. Yunus , Mahnashi Mater H. , Shaikh Ibrahim Ahmed , Alshehery Sultan , Khan Aejaz A. , Patil Vishal S. , Roy Subarna
Published: March 2023

Finding structurally similar compounds in compound databases is highly efficient and is widely used in present-day drug discovery methodology. The most-trusted and -followed similarity indexing method is Tanimoto similarity indexing. Epigenetic proteins like histone deacetylases (HDACs) inhibitors are traditionally used to target cancer, but have only been investigated very recently for their possible effectiveness against rheumatoid arthritis (RA). The synthetic drugs that have been identified and used for the inhibition of HDACs include SAHA, which is being used to inhibit the activity of HDACs of different classes. SAHA was chosen as a compound of high importance as it is reported to inhibit the activity of many HDAC types. Similarity searching using the UNPD database as a reference identified aglaithioduline from the Aglaia leptantha compound as having a ~70% similarity of molecular fingerprints with SAHA, based on the Tanimoto indexing method using ChemmineR. Aglaithioduline is abundantly present in the shell and fruits of A. leptantha. In silico studies with aglaithioduline were carried out against the HDAC8 protein target and showed a binding affinity of −8.5 kcal mol. The complex was further subjected to molecular dynamics simulation using Gromacs. The RMSD, RMSF, compactness and SASA plots of the target with aglaithioduline, in comparison with the co-crystallized ligand (SAHA) system, showed a very stable configuration. The results of the study are supportive of the usage of A. leptantha and A. edulis in Indian traditional medicine for the treatment of pain-related ailments similar to RA. Our study therefore calls for further investigation of A. leptantha and A. edulis for their potential use against RA by targeting epigenetic changes, using in vivo and in vitro studies.
A Lifetime of a Dispenser-Release Rates of Olive Fruit Fly-Associated Yeast Volatile Compounds and Their Influence on Olive Fruit Fly (Bactrocera oleae Rossi) Attraction
Authors: Veršić Bratinčević Maja , Bego Ana , Nižetić Kosović Ivana , Jukić Špika Maja , Burul Filipa , Popović Marijana , Ninčević Runjić Tonka , Vitanović Elda
Published: March 2023

The objective of this study was to evaluate the release rate, duration, and biological efficiency of yeast volatile compounds associated with olive fruit flies in slow-release dispensers, polypropylene vials, and rubber septa attached to yellow sticky traps under different environmental conditions in order to protect the environment, humans, and nontarget organisms. Isoamyl alcohol, 2-octanone, and 2-phenethyl acetate were placed in dispensers and tested over a four-week experiment. The weight loss of the volatile compounds in both dispensers was measured, and a rapid, inexpensive, and simple HS-GC/FID method was developed to determine the residual amount of volatiles in the septa. 2-Phenethyl acetate stood out in the rubber septa and showed a statistically significant difference in the release ratio compared to the other volatiles under all conditions tested. Our results showed that the attraction of olive fruit flies increased with decreasing concentrations of the tested volatiles. Regarding the number of flies attracted by rubber septa containing 2-phenethyl acetate, significantly better results were obtained than for septa containing isoamyl alcohol and 2-octanone, in contrast to the attraction of olive fruit flies to polypropylene vials containing these compounds but without significant difference. Since the presence of all tested chemicals was detected during the experiment, this opens the possibility of using more environmentally friendly and cost-effective dispensers with a significantly lower amount of semiochemicals.
Fungal Secondary Metabolites/Dicationic Pyridinium Iodide Combinations in Combat against Multi-Drug Resistant Microorganisms
Authors: Abdelalatif Ayoub M. , Elwakil Bassma H. , Mohamed Mohamed Zakaria , Hagar Mohamed , Olama Zakia A.
Published: March 2023

The spread of antibiotic-resistant opportunistic microbes is a huge socioeconomic burden and a growing concern for global public health. In the current study, two endophytic fungal strains were isolated from Mangifera Indica roots and identified as Aspergillus niger MT597434.1 and Trichoderma lixii KU324798.1. Secondary metabolites produced by A. niger and T. lixii were extracted and tested for their antimicrobial activity. The highest activity was noticed against Staphylococcus aureus and E. coli treated with A. niger and T. lixii secondary metabolites, respectively. A. niger crude extract was mainly composed of Pentadecanoic acid, 14-methyl-, methyl ester and 9-Octadecenoic acid (Z)-, methyl ester (26.66 and 18.01%, respectively), while T. lixii crude extract’s major components were 2,4-Decadienal, (E,E) and 9-Octadecenoic acid (Z)-, and methyl ester (10.69 and 10.32%, respectively). Moreover, a comparative study between the fungal extracts and dicationic pyridinium iodide showed that the combination of A. niger and T. lixii secondary metabolites with dicationic pyridinium iodide compound showed a synergistic effect against Klebsiella pneumoniae. The combined formulae inhibited the bacterial growth after 4 to 6 h through cell wall breakage and cells deformation, with intracellular components leakage and increased ROS production.
One-Pot Synthesis of N-Doped NiO for Enhanced Photocatalytic CO2 Reduction with Efficient Charge Transfer
Authors: Wang Fulin , Yu Zhenzhen , Shi Kaiyang , Li Xiangwei , Lu Kangqiang , Huang Weiya , Yu Changlin , Yang Kai
Published: March 2023

The green and clean sunlight-driven catalytic conversion of CO2 into high-value-added chemicals can simultaneously solve the greenhouse effect and energy problems. The controllable preparation of semiconductor catalyst materials and the study of refined structures are of great significance for the in-depth understanding of solar-energy-conversion technology. In this study, we prepared nitrogen-doped NiO semiconductors using a one-pot molten-salt method. The research shows that the molten-salt system made NiO change from p-type to n-type. In addition, nitrogen doping enhanced the adsorption of CO2 on NiO and increased the separation of photogenerated carriers on the NiO. It synergistically optimized the CO2-reduction system and achieved highly active and selective CO2 photoreduction. The CO yield on the optimal nitrogen-doped photocatalyst was 235 μmol·g−1·h−1 (selectivity 98%), which was 16.8 times that of the p-type NiO and 2.4 times that of the n-type NiO. This can be attributed to the fact that the nitrogen doping enhanced the oxygen vacancies of the NiOs and their ability to adsorb and activate CO2 molecules. Photoelectrochemical characterization also confirmed that the nitrogen-doped NiO had excellent electron -transfer and separation properties. This study provides a reference for improving NiO-based semiconductors for photocatalytic CO2 reduction.
Investigating In Situ Expression of c-MYC and Candidate Ubiquitin-Specific Proteases in DLBCL and Assessment for Peptidyl Disruptor Molecule against c-MYC-USP37 Complex
Authors: Kamran Durr e Sameen , Hussain Mushtaq , Mirza Talat
Published: March 2023

Diffuse Large B-Cell Lymphoma (DLBCL) is the most common form of non-Hodgkin’s lymphoma (NHL). Elevated expression of c-MYC in DLBCL is associated with poor prognosis of the disease. In different cancers, c-MYC has been found regulated by different ubiquitin-specific proteases (USPs), but to date, the role of USPs in c-MYC regulation has not been investigated in DLBCL. In this study, in situ co expression of c-MYC and three candidates USPs, USP28, USP36 and USP37, have been investigated in both the ABC and GCB subtypes of DLBCL. This shows that USP37 expression is positively correlated with the c-MYC expression in the ABC subtype of DLBCL. Structurally, both c-MYC and USP37 has shown large proportion of intrinsically disordered regions, minimizing their chances for full structure crystallization. Peptide array and docking simulations has shown that N-terminal region of c-MYC interacts directly with residues within and in proximity of catalytically active C19 domain of the USP37. Given the structural properties of the interaction sites in the c-MYC-USP37 complex, a peptidyl inhibitor has been designed. Molecular docking has shown that the peptide fits well in the targeted site of c-MYC, masking most of its residues involved in the binding with USP37. The findings could further be exploited to develop therapeutic interventions against the ABC subtype of DLBCL.
Structural Features Promoting Photocatalytic Degradation of Contaminants of Emerging Concern: Insights into Degradation Mechanism Employing QSA/PR Modeling
Authors: Tomic Antonija , Kovacic Marin , Kusic Hrvoje , Karamanis Panaghiotis , Rasulev Bakhtiyor , Loncaric Bozic Ana
Published: March 2023

Although heterogeneous photocatalysis has shown promising results in degradation of contaminants of emerging concern (CECs), the mechanistic implications related to structural diversity of chemicals, affecting oxidative (by HO•) or reductive (by O2•−) degradation pathways are still scarce. In this study, the degradation extents and rates of selected organics in the absence and presence of common scavengers for reactive oxygen species (ROS) generated during photocatalytic treatment were determined. The obtained values were then brought into correlation as K coefficients (MHO•/MO2•−), denoting the ratio of organics degraded by two occurring mechanisms: oxidation and reduction via HO• and O2•−. The compounds possessing K >> 1 favor oxidative degradation over HO•, and vice versa for reductive degradation (i.e., if K << 1 compounds undergo reductive reactions driven by O2•−). Such empirical values were brought into correlation with structural features of CECs, represented by molecular descriptors, employing a quantitative structure activity/property relationship (QSA/PR) modeling. The functional stability and predictive power of the resulting QSA/PR model was confirmed by internal and external cross-validation. The most influential descriptors were found to be the size of the molecule and presence/absence of particular molecular fragments such as C − O and C − Cl bonds; the latter favors HO•-driven reaction, while the former the reductive pathway. The developed QSA/PR models can be considered robust predictive tools for evaluating distribution between degradation mechanisms occurring in photocatalytic treatment.
A Self-Immolative Linker for the pH-Responsive Release of Amides
Authors: Petrini Agnese , Ievoli Giovanni , Migliorini Francesca , Taddei Maurizio , Siciliano Sofia
Published: March 2023

The administration of therapeutics using bioconjugation has been mainly limited to drugs containing amine, alcohol, or thiol functional groups. Here, we report a general procedure for the preparation of benzylic N-acyl carbamates suitable for masking the amide group in important drugs such as Linezolid, Enzalutamide, or Tasimelteon in good to acceptable yields. These N-acyl carbamates appear to be stable in plasma, while a qualitative analysis of further drug uncage demonstrates that, at pH values of 5.5, a classical 1,6-benzyl elimination mechanism takes place, releasing more than 80% of the drug in 24 h.
Difluorovinyl Liquid Crystal Diluters Improve the Electro-Optical Properties of High-∆n Liquid Crystal Mixture for AR Displays
Authors: Tang Jiaxing , Mao Zihao , An Zhongwei , Chen Ran , Chen Xinbing , Chen Pei
Published: March 2023

A liquid crystal (LC) mixture in liquid crystal on silicon (LCoS) is the core material for augmented reality (AR) displays. However, a LC mixture with high birefringence (Δn) and large dielectric anisotropy (Δε) possesses high viscosity (γ1), which results in a slow response time of LCoS devices for AR displays. This work proposes to apply difluorovinyl-based LC diluters to fine balance the low viscosity, high ∆n, and large ∆ε of the LC mixture for a fast response time. Through studying their effects on the key electro-optical properties of a high-∆n LC mixture, it is found that doping these diluter molecules to a high-∆n LC mixture can decrease the viscoelastic coefficient (γ1/K11), increase ∆ε and the figure of merit, maintain a wide nematic phase temperature range, a high clearing point, and ∆n. It also means that these diluters could effectively regulate the relationship between ∆n, ∆ε, and γ1 in the LC mixtures to achieve a fine balance of various excellent properties and further improve the LC device’s response time. The widespread applications of these liquid crystal diluters in emerging liquid crystal optical devices are foreseeable.
Design, Synthesis and Biological Evaluation of Quinoline-8-Sulfonamides as Inhibitors of the Tumor Cell-Specific M2 Isoform of Pyruvate Kinase: Preliminary Study
Authors: Marciniec Krzysztof , Rzepka Zuzanna , Chrobak Elwira , Boryczka Stanisław , Latocha Małgorzata , Wrześniok Dorota , Beberok Artur
Published: March 2023

Cancer cells need to carefully regulate their metabolism to keep them growing and dividing under the influence of different nutrients and oxygen levels. Muscle isoform 2 of pyruvate kinase (PKM2) is a key glycolytic enzyme involved in the generation of ATP and is critical for cancer metabolism. PKM2 is expressed in many human tumors and is regulated by complex mechanisms that promote tumor growth and proliferation. Therefore, it is considered an attractive therapeutic target for modulating tumor metabolism. Various modulators regulate PKM2, shifting it between highly active and less active states. In the presented work, a series of 8-quinolinesulfonamide derivatives of PKM2 modulators were designed using molecular docking and molecular dynamics techniques. New compounds were synthesized using the copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction. Compound 9a was identified in in silico studies as a potent modulator of muscle isoform 2 of pyruvate kinase. The results obtained from in vitro experiments confirmed the ability of compound 9a to reduce the intracellular pyruvate level in A549 lung cancer cells with simultaneous impact on cancer cell viability and cell-cycle phase distribution. Moreover, compound 9a exhibited more cytotoxicity on cancer cells than normal cells, pointing to high selectivity in the mode of action. These findings indicate that the introduction of another quinolinyl fragment to the modulator molecule may have a significant impact on pyruvate levels in cancer cells and provides further directions for future research to find novel analogs suitable for clinical applications in cancer treatment.
Organic Anion Transporting Polypeptide 3A1 (OATP3A1)-Gated Bio-Orthogonal Labeling of Intracellular Proteins
Authors: Németh Krisztina , László Zsófia , Biró Adrienn , Szatmári Ágnes , Cserép Gergely B. , Várady György , Bakos Éva , Özvegy-Laczka Csilla , Kele Péter
Published: March 2023

Organic anion transporting polypeptides (OATPs) were found to readily deliver membrane impermeable, tetrazine bearing fluorescent probes into cells. This feature was explored in OATP3A1 conditioned bio-orthogonal labeling schemes of various intracellular proteins in live cells. Confocal microscopy and super-resolution microscopy (STED) studies have shown that highly specific and efficient staining of the selected intracellular proteins can be achieved with the otherwise non-permeable probes when OATP3A1 is present in the cell membrane of cells. Such a transport protein linked bio-orthogonal labeling scheme is believed to be useful in OATP3A1 activity-controlled protein expression studies in the future.