bluuebunny/crossref_metadata_2025 huggingface dataset:
Rapid Estimation of Contact Stresses in Imageless Total Knee Arthroplasty
Authors: Kim Jun Young , Sohail Muhammad , Kim Heung Soo
Published: August 2023

Total knee arthroplasty (TKA) is a surgical technique to replace damaged knee joints with artificial implants. Recently, the imageless TKA has brought a revolutionary improvement to the accuracy of implant placement and ease of surgical process. Based on key anatomical points on the knee, the software guides the surgeon during the TKA procedure. However, the number of revision surgeries is increasing due to malalignment caused by registration error, resulting in imbalanced contact stresses that lead to failure of the TKA. Conventional stress analysis methods involve time-consuming and computationally demanding finite element analysis (FEA). In this work, a machine-learning-based approach estimates the contact pressure on the TKA implants. The machine learning regression model has been trained using FEA data. The optimal preprocessing technique was confirmed by the data without preprocessing, data divided by model size, and data divided by model size and optimal angle. Extreme gradient boosting, random forest, and extra trees regression models were trained to determine the optimal approach. The proposed method estimates the contact stress instantly within 10 percent of the maximum error. This has resulted in a significant reduction in computational costs. The efficiency and reliability of the proposed work have been validated against the published literature.
MariClus: Your One-Stop Platform for Information on Marine Natural Products, Their Gene Clusters and Producing Organisms
Authors: Hermans Cedric , De Mol Maarten Lieven , Mispelaere Marieke , De Rop Anne-Sofie , Rombaut Jeltien , Nusayr Tesneem , Creamer Rebecca , De Maeseneire Sofie L. , Soetaert Wim K. , Hulpiau Paco
Published: August 2023

Background: The marine environment hosts the vast majority of living species and marine microbes that produce natural products with great potential in providing lead compounds for drug development. With over 70% of Earth’s surface covered in water and the high interaction rate associated with liquid environments, this has resulted in many marine natural product discoveries. Our improved understanding of the biosynthesis of these molecules, encoded by gene clusters, along with increased genomic information will aid us in uncovering even more novel compounds. Results: We introduce MariClus (https://www.mariclus.com), an online user-friendly platform for mining and visualizing marine gene clusters. The first version contains information on clusters and the predicted molecules for over 500 marine-related prokaryotes. The user-friendly interface allows scientists to easily search by species, cluster type or molecule and visualize the information in table format or graphical representation. Conclusions: This new online portal simplifies the exploration and comparison of gene clusters in marine species for scientists and assists in characterizing the bioactive molecules they produce. MariClus integrates data from public sources, like GenBank, MIBiG and PubChem, with genome mining results from antiSMASH. This allows users to access and analyze various aspects of marine natural product biosynthesis and diversity.
Breathable Films with Self-Cleaning and Antibacterial Surfaces Based on TiO2-Functionalized PET Membranes
Authors: Alisiyonak Olga , Lavitskaya Anna , Khoroshko Liudmila , Kozlovskiy Artem L. , Zdorovets Maxim , Korolkov Ilya , Yauseichuk Maryia , Kaniukov Egor , Shumskaya Alena
Published: August 2023

A promising approach that uses the sol–gel method to manufacture new breathable active films with self-cleaning and antibacterial surfaces is based on the PET membranes obtained via ion track technology with a pore density of 10–7 cm−2 and a pore diameter of about 500 ± 15 nm, coated with a layer of TiO2 anatase, with a thickness of up to 80 nm. The formation of the photocatalytically active TiO2 anatase phase was confirmed using Raman analysis. Coating the PET membrane with a layer of TiO2 increased the hydrophobicity of the system (CA increased from 64.2 to 92.4, and the antibacterial activity was evaluated using Escherichia coli and Staphylococcus aureus bacteria with the logarithmic reduction factors of 3.34 and 4.24, respectively).
Two-Scale Computational Analysis of Deformation and Fracture in an Al-Si Composite Material Fabricated by Electron Beam Wire-Feed Additive Manufacturing
Authors: Balokhonov Ruslan , Zemlianov Aleksandr , Utyaganova Veronika , Gatiyatullina Diana , Romanova Varvara
Published: August 2023

Numerical simulation of deformation and fracture of an AlSi12% alloy additively fabricated by layer-by-layer electron beam melting of a wire is carried out. The microstructure of the alloy is studied by scanning and transmission electron microscopy at different resolutions. The experimental study at a length scale of several dozens of microns reveals a dendritic structure, which can be treated as a composite material consisting of aluminum arms separated by a eutectic network. The volume fraction of dendrites varies with the distance from the base plate in the build direction. The eutectics can also be thought of as a composite with an aluminum matrix reinforced by silicon particles at a scale of a few microns. Particles of different shapes are nearly equally spaced in the matrix. The eutectic and dendritic structures are taken into account explicitly in the calculations. The dynamic boundary-value problems are solved by ABAQUS/Explicit. The isotropic elastic-plastic and elastic models are used to simulate the response of aluminum and silicon. The fracture model includes a maximum distortion energy criterion formulated for the particle and matrix materials in terms of the equivalent stress and plastic strain. A two-scale approach is proposed to investigate deformation and fracture of the AlSi12% alloy. On the eutectic scale, the thermomechanical behavior of the Al matrix-silicon particle two-phase composite is simulated to obtain the homogenized properties of the eutectic composite material, which is then used at a higher scale to investigate the deformation and fracture of a two-phase dendritic structure. Residual stresses formed during cooling of the additively manufactured material were found to decrease the strength of the composite, while the strength increases with the volume fraction of dendrites.
Investigation of Corrosion Properties and Composition of the Surface Formed on AISI 321 Stainless Steel by Ion Implantation
Authors: Dorofeeva Tamara I. , Fedorischeva Marina V. , Gubaidulina Tatiana A. , Sergeev Oleg V. , Sungatulin Alfred R. , Sergeev Viktor P.
Published: August 2023

In this work, the corrosion resistance of AISI 321 stainless steel is increased through. the two-stage implantation of oxygen ions and of both aluminum and boron ions together. During ion implantation, a modified layer with a thickness of about 200 nm is formed, which affects the properties of material. The increase in corrosion resistance is confirmed by prolonged acid corrosion tests at pH 3.5 and by accelerated electrochemical tests using a potentiostat. The corrosion rate of the implanted sample is 0.708 μA/cm2, in contrast to the non-implanted sample (1.26 μA/cm2). The modified surface layer is examined using X-ray photoelectron spectroscopy (XPS), secondary-ion mass spectrometry (SIMS), and transmission electron microscopy (TEM). Aluminum and boron are implanted to a depth of more than 250 nm. It is found that the modified surface of the stainless steel substrate contains oxides of implanted ions (Al2O3) and oxides of substrate ions (Cr2O3 and NiCr2O4).
Double-Sided Self-Pierce Riveting: Electro-Mechanical Analysis of Dissimilar Al-Cu Half-Lap Butt Joints
Authors: Afonso Rafael M. , Alves Luís M.
Published: August 2023

Double-sided self-pierce riveting (DSSPR) can be utilized as an alternative to self-pierce riveting (SPR) to produce butt joints through half-lap joints in dissimilar materials. The mechanical joining process makes use of tubular rivets with simple geometry that are here employed to join two sheets made from aluminium (Al) and copper (Cu). This research work analyses the influence of the stainless-steel rivet on both the electrical and mechanical performance of the joint. The electrical resistance variation of the joined assembly is measured at different temperatures and compared with conventional fastened joints made from the same material combination. The mechanical performance of the aluminium–copper connections is evaluated by means of shear tests and compared to the original fastened Al-Cu joint. An experimental approach is utilized to analyse the combined influence of different mechanical and electrical parameters to assess the performance of DSSPR in electrical applications.
Numerical Simulation and Surface Properties of 42CrMo Steel Treated by Plasma Nitriding and Laser Quenching
Authors: Zhang Yuhang , Wang Yixue
Published: August 2023

In this study, we investigated the nitriding and laser quenching composite modified layers of 42CrMo steel. MATLAB was used to fit the nitrogen concentration distribution during nitriding, and the laser temperature field was fitted using ABAQUS finite element simulation software. Two groups of simulation results were integrated to fit the modified layer depth under different processes, and the nitriding and laser quenching experimental results were compared with the simulation results, which indicated that the simulation results agreed well with the experimental results. The depth of the nitriding–laser quenching composite layer greatly improved compared with the nitriding or laser hardening layers. The austenitizing temperature of the 42CrMo steel was reduced to 577 °C by nitriding. Therefore, the depth of the austenitized layer of the 42CrMo steel heated with the same laser power significantly increased. Under the same laser process conditions, more austenitic phase transformation was observed in the nitriding layer than in the non-nitriding layer, so martensitic phase transformation was more likely to occur in the subsequent cooling process. After plasma nitriding at 460 °C for 16 h and laser quenching, the modified layer depth of the 42CrMo steel reached 990 μm, and the average surface hardness of the 42CrMo steel reached 625 HV0.1. The friction coefficient of the modified layer was the lowest, with a value of 0.433, and the minimum wear value was 1.024 mm3. Double hardness and thickness of the modified layer could be obtained by nitriding and laser quenching composite processes.
Effect of Rumen-Protected Methionine on Metabolic Profile of Liver, Muscle and Blood Serum Samples of Growing German Simmental Bulls Fed Protein-Reduced Diets
Authors: Inhuber Vivienne , Windisch Wilhelm , Kleigrewe Karin , Meng Chen , Bächler Benedikt , Gigl Michael , Steinhoff-Wagner Julia , Ettle Thomas
Published: August 2023

This study aimed to determine the metabolic response of growing German Simmental bulls fed rations low in crude protein (CP) supplemented with rumen-protected methionine (RPMET). In total, 69 bulls (on average 238 ± 11 days of age at start and 367 ± 25 kg of bodyweight) were assigned to three dietary treatments (n = 23/group): Positive control (CON; 13.7% CP; 2.11 g methionine/kg DM), negative control deficient in CP (RED; 9.04% CP; 1.56 g methionine/kg DM) and crude protein-deficient ration supplemented with RPMET (RED+RPMET; 9.04% CP; 2.54 g methionine/kg DM). At slaughter, samples of liver, muscle and blood serum were taken and underwent subsequent metabolomics profiling using a UHPLC-QTOF-MS system. A total of 6540 features could be detected. Twenty metabolites in the liver, five metabolites in muscle and thirty metabolites in blood serum were affected (p < 0.05) due to dietary treatments. In total, six metabolites could be reliably annotated and were thus subjected to subsequent univariate analysis. Reduction in dietary CP had minimal effect on metabolite abundance in target tissues of both RED and RED+RPMET bulls as compared to CON bulls. The addition of RPMET altered the hepatic anti-oxidant status in RED+RPMET bulls compared to both RED and CON bulls. Results exemplify nutrient partitioning in growing German Simmental bulls: bulls set maintenance as the prevailing metabolic priority (homeostasis) and nutrient trafficking as the second priority, which was directed toward special metabolic functions, such as anti-oxidant pathways.
Four-Dimensional-Printed Microrobots and Their Applications: A Review
Authors: Darmawan Bobby Aditya , Park Jong-Oh , Go Gwangjun , Choi Eunpyo
Published: August 2023

Owing to their small size, microrobots have many potential applications. In addition, four-dimensional (4D) printing facilitates reversible shape transformation over time or upon the application of stimuli. By combining the concept of microrobots and 4D printing, it may be possible to realize more sophisticated next-generation microrobot designs that can be actuated by applying various stimuli, and also demonstrates profound implications for various applications, including drug delivery, cells delivery, soft robotics, object release and others. Herein, recent advances in 4D-printed microrobots are reviewed, including strategies for facilitating shape transformations, diverse types of external stimuli, and medical and nonmedical applications of microrobots. Finally, to conclude the paper, the challenges and the prospects of 4D-printed microrobots are highlighted.
A Novel Silicon Forward-Biased PIN Mach–Zehnder Modulator with Two Operating States
Authors: Yu Hang , Tu Donghe , Huang Xingrui , Yin Yuxiang , Yu Zhiguo , Guan Huan , Jiang Lei , Li Zhiyong
Published: August 2023

In this paper, we demonstrate a silicon forward-biased positive intrinsic negative (PIN) Mach–Zehnder modulator (MZM), which has two operating states of high efficiency and high speed. The two operating states are switched by changing the position where the electric signal is loaded. The modulator incorporates a PIN phase shifter integrated with the passive resistance and capacitance (RC) equalizer (PIN-RC), which expands the electro-optic (E-O) bandwidth by equalizing it with modulation efficiency. The fabricated modulator exhibits a low insertion loss of 1.29 dB in two operating states and a compact design with a phase shifter length of 500 μm. The modulation efficiencies are 0.0088 V·cm and 1.43 V·cm, and the corresponding 3 dB E-O bandwidths are 200 MHz and 7 GHz, respectively. The high-speed modulation performance of the modulator is confirmed by non-return-to-zero (NRZ) modulation with a data rate of 15 Gbps without any pre-emphasis or post-processing. The presented modulator shows functional flexibility, low insertion loss, and a compact footprint, and it can be suitable for applications like optical switch arrays and analog signal processing.
Limited Impact of Soil Microorganisms on the Endophytic Bacteria of Tartary Buckwheat (Fagopyrum tataricum)
Authors: Liu Xuyan , Zhu Xishen , Dong Yumei , Chen Yan , Li Meifang , Li Chengyun
Published: August 2023

Soil has been considered the main microbial reservoir for plants, but the robustness of the plant microbiome when the soil resource is removed has not been greatly considered. In the present study, we tested the robustness of the microbiota recruited by Tartary buckwheat (Fagopyrum tataricum Gaertn.), grown on sterile humus soil and irrigated with sterile water. Our results showed that the microbiomes of the leaf, stem, root and next-generation seeds were comparable between treated (grown in sterile soil) and control plants (grown in non-sterile soil), indicating that the plants had alternative robust ways to shape their microbiome. Seed microbiota contributed greatly to endophyte communities in the phyllosphere, rhizosphere and next-generation seeds. The microbiome originated from the seeds conferred clear benefits to seedling growth because seedling height and the number of leaves were significantly increased when grown in sterilized soil. The overall microbiome of the plant was affected very little by the removal of the soil microbial resource. The microbial co-occurrence network exhibited more interactions, and Proteobacteria was enriched in the root of Tartary buckwheat planted in sterilized soil. Our research broadens the understanding of the general principles governing microbiome assembly and is widely applicable to both microbiome modeling and sustainable agriculture.
Sex- and Age-Dependent Associations between Parabacteroides and Obesity: Evidence from Two Population Cohort
Authors: Zhang Feng , Zhang Xiru , Fu Jingxiang , Duan Zhuo , Qiu Wen , Cai Yijia , Ma Wenjun , Zhou Hongwei , Chen Yuming , Zheng Jusheng , He Yan
Published: August 2023

Parabacteroides levels are reported to be low in obese individuals, and this genus has shown an anti-obesity capacity in animal studies. Nevertheless, the relationship between Parabacteroides and obesity in different subpopulations, e.g., with respect to age and sex, and its association with subsequent weight change have rarely been explored. The cross-sectional associations of Parabacteroides genus- and species-level OTU abundance with obesity were explored in the Guangdong Gut Microbiome Project (GGMP), which included 5843 adults, and replicated in the Guangzhou Nutrition and Health Study (GNSH), which included 1637 individuals. Furthermore, we assessed the prospective associations of Parabacteroides and its main OTUs’ abundance with the subsequent changes in body mass index (BMI) in the GNSH. We found that Parabacteroides was inversely associated with obesity among females and participants aged 40–69 years in the GGMP and the replicated cohort in the GNSH. After a 3-year follow-up, there was no significant correlation between Parabacteroides and the subsequent changes in BMI. However, Seq4172 (P. johnsonii) showed a negative correlation with subsequent BMI changes in the female and middle-aged (40–69 years) subpopulations. Overall, our results indicate that Parabacteroides have an inverse relationship with obesity and that Seq4172 (P. johnsonii) have a negative association with subsequent changes in BMI among females and middle-aged populations in perspective analyses.
Timing of Carbonatite Ultramafic Complexes of the Eastern Sayan Alkaline Province, Siberia: U–Pb (ID–TIMS) Geochronology of Ca–Fe Garnets
Authors: Stifeeva Maria V. , Salnikova Ekaterina B. , Savelyeva Valentina B. , Kotov Alexander B. , Danilova Yulia V. , Bazarova Ekaterina P. , Danilov Boris S.
Published: August 2023

In this study, we present the results of U–Pb (ID-TIMS) geochronological studies of calcic garnet from the alkaline ultramafic complexes of Eastern Sayan province (eastern Siberia). New U–Pb ID–TIMS garnet ages obtained from different rocks of Bolshaya Tagna (632 ± 2 Ma) and Srednaya Zima intrusions (624 ± 5 Ma), as well as previously published garnet ages of the Belaya Zima complex (646 ± 6 Ma), allow us to constrain the timing and duration of episodes of alkaline ultramafic magmatism in Eastern Sayan province (619–651 Ma). Variations in the chemical compositions of rocks from three massifs indicate that the parental melts were separated from different magmatic chambers generated during the same episode of mantle melting. This study further highlights garnet U–Pb dating as a potentially robust, high-resolution geochronometer to constrain the evolution of the main pulse of alkaline ultramafic magmatism in the large magmatic provinces.
Cepharanthine Exerts Antioxidant and Anti-Inflammatory Effects in Lipopolysaccharide (LPS)-Induced Macrophages and DSS-Induced Colitis Mice
Authors: Chen Guangxin , Wen Da , Shen Lin , Feng Yazhi , Xiong Qiuhong , Li Ping , Zhao Zhonghua
Published: August 2023

Cepharanthine (CEP), a biscoclaurine alkaloid extracted from Stephania cepharantha Hayata, has been widely used for the treatment of various acute and chronic diseases, including leukopenia, and snake bites. Here, our objective was to investigate the anti-oxidative stress and anti-inflammatory response effects of CEP in lipopolysaccharide (LPS)-induced macrophages as well as dextran sulfate sodium (DSS)-induced colitis mice. Our findings demonstrated that supplementation with CEP effectively mitigates body weight loss and elevation of disease activity index (DAI), reduces the malondialdehyde (MDA) content to 2.45 nM/mL while increasing the reduced glutathione (GSH) content to 35.53 μg/mL, inhibits inflammatory response, and maintains proper intestinal epithelium tight junctions in DSS-induced wild type (WT) mice. However, it failed to provide protective effects in DSS-induced transcription factor nuclear factor erythroid 2-related factor 2 (NRF2) knockout (NRF2−/−) mice. GSH content decreased to 10.85 μg/106 cells following LPS treatment, whereas supplementation with CEP increased the GSH content to 12.26 μg/106 cells. Moreover, CEP effectively attenuated ROS production in LPS-induced macrophages. Additionally, CEP exhibited inhibitory effects on pro-inflammatory cytokines and mediators in LPS-induced macrophages. Furthermore, we observed that supplementation with CEP promoted the expression of NRF2/heme oxygenase 1 (HO-1)/NADPH quinone oxidoreductase-1 (NQO-1) as well as the phosphorylation of the adenosine monophosphate-activated protein kinase alpha 1 (AMPK-α1)/protein kinase B (AKT)/glycogen synthase kinase-3 beta (GSK-3β) signaling pathway in macrophages while inhibiting the phosphorylation of the extracellular signal-regulated kinase (ERK)/c-Jun N-terminal kinase (JNK), and nuclear factor-kappa B p65 (NF-κB p65) signaling pathway in LPS-induced macrophages. Although CEP did not demonstrate inhibitory effects on oxidative stress or promote the expression of HO-1/NQO-1, it effectively activated the phosphorylation of the AMPK-α1/AKT/GSK-3β signaling pathway which is an upstream regulator of NRF2 in LPS-induced primary peritoneal macrophages from NRF2−/− mice. In summary, our findings suggest that CEP exerts protective effects against oxidative stress and inflammatory response by activating the AMPK-α1/AKT/GSK-3β/NRF2 signaling pathway while concurrently inhibiting the activation of mitogen activated protein kinases (MAPKs) and the NF-κB p65 signaling pathway. These results not only elucidate the mechanisms underlying CEP’s protective effects on colon oxidative stress and inflammation but also provide evidence supporting NRF2 as a potential therapeutic target for IBD treatment.
Yellow Himalayan Raspberry (Rubus ellipticus Sm.): Ethnomedicinal, Nutraceutical, and Pharmacological Aspects
Authors: Lamichhane Ananda , Lamichhane Gopal , Devkota Hari Prasad
Published: August 2023

Yellow Himalayan raspberry (Rubus ellipticus Sm., Rosaceae) is a native species of the Indian subcontinent, Southern China, and the Philippines, which has been historically used as a traditional medicine and food. All of the parts of this plant have been used in traditional medicine to treat respiratory ailments, diabetes, and gastrointestinal disorder, and as an anti-infective agent. The scientific evaluation revealed a richness of macronutrients, micronutrients, and minerals in the fruits, indicating its potential use as a nutraceutical. Furthermore, this plant has been found to be rich in various secondary metabolites, including polyphenols, flavonoids, anthocyanins, tannins, and terpenoids. Ascorbic acid, kaempferol, gallic acid, and catechin are some of the compounds found in this plant, which have been widely discussed for their health benefits. Furthermore, various extracts and compounds obtained from R. ellipticus have shown antioxidant, antidiabetic, anticancer, anti-inflammatory, nephroprotective, antipyretic, anticonvulsant, and anti-infective activities investigated through different study models. These findings in the literature have validated some of the widespread uses of the fruits in folk medicinal systems and the consumption of this nutritious wild fruit by local communities. In conclusion, R. ellipticus holds strong potential for its development as a nutraceutical. It can also improve the nutritional status of villagers and uplift the economy if properly utilized and marketed.
Antimicrobial Potential of Aqueous Extract of Giant Sword Fern and Ultra-High-Performance Liquid Chromatography–High-Resolution Mass Spectrometry Analysis
Authors: Venmathi Maran Balu Alagar , Palaniveloo Kishneth , Mahendran Thivyalaxmi , Chellappan Dinesh Kumar , Tan Jen Kit , Yong Yoong Soon , Lal Mohammad Tamrin Mohamad , Joning Elliecpearl Jasca , Chong Wei Sheng , Babich Olga , Sukhikh Stanislav , Shah Muhammad Dawood
Published: August 2023

Vibriosis and parasitic leech infestations cause the death of various farmed fish, such as groupers, hybrid groupers, sea bass, etc., in Malaysia and other Southeast Asian countries. In the absence of natural control agents, aquaculture operators rely on toxic chemicals to control Vibrio infections and parasitic leeches, which can have a negative impact on the environment and health. In the present study, we investigated the antivibrio and antiparasitic activities of the aqueous extract of giant sword fern (GSF) (Nephrolepis biserrata, Nephrolepidaceae, locally known as “Paku Pedang”) against four Vibrio spp. and the parasitic leech Zeylanicobdella arugamensis, as well as its metabolic composition using the ultra-high-performance liquid chromatography–high-resolution mass spectrometry system (UHPLC-HRMS). The data show that the aqueous extract of GSF at a concentration of 100 mg/mL exhibits potent bactericidal activity against V. parahaemolyticus with a zone of inhibition of 19.5 mm. In addition, the extract showed dose-dependent activity against leeches, resulting in the complete killing of the parasitic leeches within a short period of 11–43 min when tested at concentrations ranging from 100 to 25 mg/mL. The UHPLC-HRMS analysis detected 118 metabolites in the aqueous extract of GSF. Flavonoids were the primary metabolites, followed by phenolic, aromatic, fatty acyl, terpenoid, vitamin and steroidal compounds. Notably, several of these metabolites possess antibacterial and antiparasitic properties, including cinnamaldehyde, cinnamic acid, apigenin, quercetin, cynaroside, luteolin, naringenin, wogonin, 6-gingerol, nicotinamide, abscisic acid, daidzein, salvianolic acid B, etc. Overall, our study shows the significant antibacterial and antiparasitic potential of the GSF aqueous extract, which demonstrates the presence of valuable secondary metabolites. Consequently, the aqueous extract is a promising natural alternative for the effective control of Vibrio infections and the treatment of parasitic leeches in aquaculture systems.
Isolation and Identification of Phytocompounds from Maytenus dhofarensis and Their Biological Potentials
Authors: Al-Rubaiai Fatma , Al-Shariqi Zakiya Zahran , Al-Shabibi Khalsa S. , Husband John , Al-Hattali Asmaa M. , Goettert Marcia , Laufer Stefan , Baqi Younis , Hassan Syed Imran , Fatope Majekodunmi O.
Published: August 2023

Maytenus dhofarensis Sebsebe (Celestraceae) is a naturally growing shrub in Oman. It is not a reputed medicinal plant in Oman, but it is regionally endemic and causes shivering attacks on goats that graze on it. The chemical investigation of the hexane and chloroform extracts of the fruits and stems of M. dhofarensis afforded dihydro-β-agarofuran-type sesquiterpene pyridine alkaloid (1), lupanyl myristoate (2) and lignanolactone (3). Compounds (1–3) are new isolates from M. dhofarensis. The structures of these compounds were assigned through comprehensive IR, NMR, and ESI-MS analyses, and the relative configurations of compounds 1 and 3 were deduced from density function theory (DFT) calculations and NMR experiments. Compound 1 was assayed against the kinase enzyme and showed no inhibition activity for p38 alpha and delta at a 10 µM test concentration. Compound 3 inhibited the 2,2′-diphenyl-1-picrylhydrazyl radical (DPPH) by 69.5%, compared to 70.9% and 78.0% for gallic acid and butylated hydroxyanisole, respectively, which were used as positive controls.
Viscoelasticity of Liposomal Dispersions
Authors: Budai Lívia , Budai Marianna , Fülöpné Pápay Zsófia Edit , Szalkai Petra , Niczinger Noémi Anna , Kijima Shosho , Sugibayashi Kenji , Antal István , Kállai-Szabó Nikolett
Published: August 2023

Janus-faced viscoelastic gelling agents—possessing both elastic and viscous characteristics—provide materials with unique features including strengthening ability under stress and a liquid-like character with lower viscosities under relaxed conditions. The mentioned multifunctional character is manifested in several body fluids such as human tears, synovial liquids, skin tissues and mucins, endowing the fluids with a special physical resistance property that can be analyzed by dynamic oscillatory rheology. Therefore, during the development of pharmaceutical or cosmetical formulations—with the intention of mimicking the physiological conditions—rheological studies on viscoelasticity are strongly recommended and the selection of viscoelastic preparations is highlighted. In our study, we aimed to determine the viscoelasticity of various liposomal dispersions. We intended to evaluate the impact of lipid concentration, the presence of cholesterol or 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) and the gelling agents polyvinyl alcohol (PVA) and hydroxyethylcellulose (HEC) on the viscoelasticity of vesicular systems. Furthermore, the effect of two model drugs (phenyl salicylate and caffeine) on the viscoelastic behavior of liposomal systems was studied. Based on our measurements, the oscillation rheological properties of the liposomal formulations were influenced both by the composition and the lamellarity/size of the lipid vesicles.
Ag/Cr-TiO2 and Pd/Cr-TiO2 for Organic Dyes Elimination and Treatment of Polluted River Water in Presence of Visible Light
Authors: Gil Mariana Alejandra , Murcia Julie J. , Hernández-Laverde Mónica , Morante Nicola , Sannino Diana , Vaiano Vincenzo
Published: August 2023

In this work, photocatalytic materials constituted by Cr-doped TiO2 (Cr-TiO2) decorated with noble metals show high effectiveness in the mineralization of Acid Orange 7 (AO7) and in the disinfection of real river water. The materials were firstly obtained by sol-gel method to get Cr-TiO2 that was subsequently modified by photochemical deposition of Ag or Pd nanoparticles (Ag/Cr-TiO2, Pd/Cr-TiO2). Chemical-physical characterization results evidenced that the noble metals were homogeneously distributed on the Cr-TiO2 surface. By using Pd(0.25%)/Cr-TiO2, the AO7 discoloration efficiency was about 91.4% after only 60 min of visible irradiation, which can be due to the lowest band gap of this material. Moreover, nitrates, chlorides, total hardness, and coliform bacteria content significantly decreased after the treatment of real river water samples (that is contaminated by industrial and domestic effluents) under UV and visible light irradiation in the presence of TiCrOx decorated with noble metals. One hundred percent of elimination rate for E. coli, total coliforms, and other enterobacteriaceae (without regrowth) was achieved by using Ag/Cr-TiO2 as photocatalyst.
Strain-Induced Structural Phase Transitions in Epitaxial (001) BiCoO3 Films: A First-Principles Study
Authors: Tian Hao , Cui Shuqi , Fu Long , Zhang Hongwei , Li Chenggang , Cui Yingqi , Mao Aijie
Published: August 2023

We have simulated BiCoO3 films epitaxially grown along (001) direction with density functional theory computations. Leading candidates for the lowest-energy phases have been identified. The tensile strains induce magnetic phase transition in the ground state (P4mm symmetry) from a C-type antiferromagnetic order to a G-type order for the in-plane lattice parameter above 3.922 Å. The G-type antiferromagnetic order will be maintained with larger tensile strains; however, a continuous structural phase transition will occur, combining the ferroelectric and antiferrodistortive modes. In particular, the larger tensile strain allows an isostructural transition, the so-called Cowley’s ‘‘Type Zero’’ phase transitions, from Cc-(I) to Cc-(II), with a slight volume collapse. The orientation of ferroelectric polarization changes from the out-of-plane direction in the P4mm to the in-plane direction in the Pmc21 state under epitaxial tensile strain; meanwhile, the magnetic ordering temperature TN can be strikingly affected by the variation of misfit strain.
Color Centers in Hexagonal Boron Nitride
Authors: Kim Suk Hyun , Park Kyeong Ho , Lee Young Gie , Kang Seong Jun , Park Yongsup , Kim Young Duck
Published: August 2023

Atomically thin two-dimensional (2D) hexagonal boron nitride (hBN) has emerged as an essential material for the encapsulation layer in van der Waals heterostructures and efficient deep ultraviolet optoelectronics. This is primarily due to its remarkable physical properties and ultrawide bandgap (close to 6 eV, and even larger in some cases) properties. Color centers in hBN refer to intrinsic vacancies and extrinsic impurities within the 2D crystal lattice, which result in distinct optical properties in the ultraviolet (UV) to near-infrared (IR) range. Furthermore, each color center in hBN exhibits a unique emission spectrum and possesses various spin properties. These characteristics open up possibilities for the development of next-generation optoelectronics and quantum information applications, including room-temperature single-photon sources and quantum sensors. Here, we provide a comprehensive overview of the atomic configuration, optical and quantum properties, and different techniques employed for the formation of color centers in hBN. A deep understanding of color centers in hBN allows for advances in the development of next-generation UV optoelectronic applications, solid-state quantum technologies, and nanophotonics by harnessing the exceptional capabilities offered by hBN color centers.
Low-Voltage Solution-Processed Zinc-Doped CuI Thin Film Transistors with NOR Logic and Artificial Synaptic Function
Authors: Gan Xiaomin , Dou Wei , Hou Wei , Yuan Xing , Lei Liuhui , Zhou Yulan , Yang Jia , Chen Diandian , Zhou Weichang , Tang Dongsheng
Published: August 2023

Low-voltage Zn-doped CuI thin film transistors (TFTs) gated by chitosan dielectric were fabricated at a low temperature. The Zn-doped CuI TFT exhibited a more superior on/off current ratio than CuI TFT due to the substitution or supplementation of copper vacancies by Zn ions. The Zn-doped CuI films were characterized by scanning electron microscope, X-ray diffraction, and X-ray photoelectron spectroscopy. The Zn-doped CuI TFTs exhibited an on/off current ratio of 1.58 × 104, a subthreshold swing of 70 mV/decade, and a field effect mobility of 0.40 cm2V−1s−1, demonstrating good operational stability. Due to the electric-double-layer (EDL) effect and high specific capacitance (17.3 μF/cm2) of chitosan gate dielectric, Zn-doped CuI TFT operates at a voltage below −2 V. The threshold voltage is −0.2 V. In particular, we have prepared Zn-doped CuI TFTs with two in-plane gates and NOR logic operation is implemented on such TFTs. In addition, using the ion relaxation effect and EDL effect of chitosan film, a simple pain neuron simulation is realized on such a p-type TFTs for the first time through the bottom gate to regulate the carrier transport of the channel. This p-type device has promising applications in low-cost electronic devices, complementary electronic circuit, and biosensors.
Estimating Fertilizer Nitrogen-Use Efficiency in Transplanted Short-Day Onion
Authors: de Jesus Hanna Ibiapina , da Silva Andre Luiz Biscaia Ribeiro , Cassity-Duffey Kate , Coolong Timothy
Published: August 2023

Efficient nitrogen (N) fertilizer applications in onion (Allium cepa L.) can reduce input costs and improve fertilizer-use efficiency, while maintaining high yields and quality. Understanding the N requirements of onion at different growth stages is necessary to enhance fertilizer N-use efficiency (FNUE). In a two-year study (2021 and 2022), the FNUE of onions was determined at five stages of development (at transplant, vegetative growth, bulb initiation, bulb swelling and bulb maturation). The FNUE was estimated by substituting a conventional N fertilizer (ammonium nitrate) with a 5% enriched 15N ammonium nitrate at a rate of 22.4 kg·ha−1 N, at one of five application times corresponding to a stage of development. All onions received a season total of 112 kg·ha−1 N. Marketable yield of onions was significantly greater in 2022 compared to 2021 and FNUE was affected by application timing in both years. In 2021, the FNUE at transplant was 8.9%, increasing to 26.4% and 35.28% at vegetative growth and bulb initiation stages, respectively. At bulb swelling and bulb maturation stages, FNUE was greater than 95%. In 2022, the FNUE at transplant was 25.2%. This increased to 75.7% and 103% at vegetative growth and bulb initiation stages, respectively. Results suggest that the application of fertilizer N at transplant is inefficient due to limited plant uptake ability, while N applications during bulb initiation and swelling were the most efficient.
Postnatal Overfeeding in Rodents Induces a Neurodevelopment Delay and Anxious-like Behaviour Accompanied by Sex- and Brain-Region-Specific Synaptic and Metabolic Changes
Authors: Amaro Andreia , Sousa Diana , Sá-Rocha Mariana , Ferreira-Junior Marcos Divino , Rosendo-Silva Daniela , Saavedra Lucas Paulo Jacinto , Barra Cátia , Monteiro-Alfredo Tamaeh , Gomes Rodrigo Mello , de Freitas Mathias Paulo Cezar , Baptista Filipa I. , Matafome Paulo
Published: August 2023

Nutritional disturbances during the early postnatal period can have long-lasting effects on neurodevelopment and may be related to behavioural changes at adulthood. While such neuronal connection disruption can contribute to social and behaviour alterations, the dysregulation of the neuroendocrine pathways involved in nutrient-sensing balance may also cause such impairments, although the underlying mechanisms are still unclear. We aimed to evaluate sex-specific neurodevelopmental and behavioural changes upon postnatal overfeeding and determine the potential underpinning mechanisms at the central nervous system level, with a focus on the interconnection between synaptic and neuroendocrine molecular alterations. At postnatal day 3 (PND3) litters were culled to three animals (small litter procedure). Neurodevelopmental tests were conducted at infancy, whereas behavioural tests to assess locomotion, anxiety, and memory were performed at adolescence, together with molecular analysis of the hippocampus, hypothalamus, and prefrontal cortex. At infancy, females presented impaired acquisition of an auditory response, eye opening, olfactory discrimination, and vestibular system development, suggesting that female offspring neurodevelopment/maturation was deeply affected. Male offspring presented a transitory delay in locomotor performance., while both offspring had lower upper limb strength. At adolescence, both sexes presented anxious-like behaviour without alterations in short-term memory retention. Both males and females presented lower NPY1R levels in a region-specific manner. Furthermore, both sexes presented synaptic changes in the hippocampus (lower GABAA in females and higher GABAA levels in males), while, in the prefrontal cortex, similar higher GABAA receptor levels were observed. At the hypothalamus, females presented synaptic changes, namely higher vGLUT1 and PSD95 levels. Thus, we demonstrate that postnatal overfeeding modulates offspring behaviour and dysregulates nutrient-sensing mechanisms such as NPY and GABA in a sex- and brain-region-specific manner.
What Nursing-Sensitive Outcomes Have Been Investigated to Date among Patients with Solid and Hematological Malignancies? A Scoping Review
Authors: Visintini Chiara , Palese Alvisa
Published: August 2023

Nursing-sensitive outcomes are those outcomes attributable to nursing care. To date three main reviews have summarized the evidence available regarding the nursing outcomes in onco-haematological care. Updating the existing reviews was the main intent of this study; specifically, the aim was to map the state of the art of the science in the field of oncology nursing-sensitive outcomes and to summarise outcomes and metrics documented as being influenced by nursing care. A scoping review was conducted in 2021. The MEDLINE, Cumulative Index to Nursing and Allied Health, Web of Science, and Scopus databases were examined. Qualitative and quantitative primary and secondary studies concerning patients with solid/haematological malignancies, cared for in any setting, published in English, and from any time were all included. Both inductive and deductive approaches were used to analyse the data extracted from the studies. Sixty studies have been included, mostly primary (n = 57, 95.0%) with a quasi- or experimental approach (n = 26, 55.3%), conducted among Europe (n = 27, 45.0%), in hospitals and clinical wards (n = 29, 48.3%), and including from 8 to 4615 patients. In the inductive analysis, there emerged 151 outcomes grouped into 38 categories, with the top category being ‘Satisfaction and perception of nursing care received’ (n = 32, 21.2%). Outcome measurement systems included mainly self-report questionnaires (n = 89, 66.9%). In the deductive analysis, according to the Oncology Nursing Society 2004 classification, the ‘Symptom control and management’ domain was the most investigated (n = 44, 29.1%); however, the majority (n = 50, 33.1%) of nursing-sensitive outcomes that emerged were not includible in the available framework. Continuing to map nursing outcomes may be useful for clinicians, managers, educators, and researchers in establishing the endpoints of their practice. The ample number of instruments and metrics that emerged suggests the need for more development of homogeneous assessment systems allowing comparison across health issues, settings, and countries.
Timeline of SARS-CoV-2 Transmission in Sabah, Malaysia: Tracking the Molecular Evolution
Authors: Balakrishnan Krishnan Nair , Yew Chee Wei , Chong Eric Tzyy Jiann , Daim Sylvia , Mohamad Nurul Elyani , Rodrigues Kenneth , Lee Ping-Chin
Published: August 2023

Background: The COVID-19 pandemic poses an unprecedented public health challenge in Malaysia. The impact of COVID-19 varies between countries, including geographically divided states within a country. The deadly transmission of COVID-19 has taken a heavy toll in Sabah, Malaysia’s third most populous state, contributing nearly 10% to the recorded national death toll as of 31 December 2022. Although several SARS-CoV-2 genome sequences have been analysed in Malaysia, molecular epidemiology data from Sabah focusing on the diversity and evolution of SARS-CoV-2 variants are still lacking. This study examines the major SARS-CoV-2 variants and emerging mutations from Sabah, the Malaysian Borneo, which is geographically divided from West Malaysia by the South China Sea. Methods: A total of 583 COVID-19 samples were subjected to whole genome sequencing and analysed with an additional 1123 Sabah COVID-19 sequences retrieved from the GISAID EpiCoV consortium. Nextclade and Pangolin were used to classify these sequences according to the clades and lineages. To determine the molecular evolutionary characteristics, Bayesian time-scaled phylogenetic analysis employing the maximum likelihood algorithm was performed on selected SARS-CoV-2 genome sequences, using the Wuhan-Hu-1 sequence as a reference. Results: Sabah was affected starting from the second COVID-19 wave in Malaysia, and the early sequences were classified under the O clade. The clade was gradually replaced during subsequent waves by G, GH, GK and GRA, with the latter being dominant as of December 2022. Phylogenetically, the Delta isolates in this study belong to the three main subclades 21A, 21J and 21I, while Omicron isolates belong to 21M, 21L and 22B. The time-scaled phylogeny suggested that SARS-CoV-2 introduced into Sabah originated from Peninsular Malaysia in early March 2020, and phylodynamic analysis indicated that increased viral spread was observed in early March and declined in late April, followed by an evolutionary stationary phase in June 2020. Conclusion: Continuous molecular epidemiology of SARS-CoV-2 in Sabah will provide a deeper understanding of the emergence and dominance of each variant in the locality, thus facilitating public health intervention measures.
Anti-Cancer Effect of Neural Stem Cells Transfected with Carboxylesterase and sTRAIL Genes in Animals with Brain Lesions of Lung Cancer
Authors: Kim Jung Hak , Ahn Jae Sung , Lee Dong-Seok , Hong Seok Ho , Lee Hong J.
Published: August 2023

A metastatic brain tumor is the most common type of malignancy in the central nervous system, which is one of the leading causes of death in patients with lung cancer. The purpose of this study is to evaluate the efficacy of a novel treatment for metastatic brain tumors with lung cancer using neural stem cells (NSCs), which encode rabbit carboxylesterase (rCE) and the secretion form of tumor necrosis factor-related apoptosis-inducing ligand (sTRAIL). rCE and/or sTRAIL were transduced in immortalized human fetal NSCs, HB1.F3. The cytotoxic effects of the therapeutic cells on human lung cancer cells were evaluated in vitro with the ligands and decoy receptor expression for sTRAIL in the presence of CPT-11. Human NSCs encoding rCE (F3.CE and F3.CE.sTRAIL) significantly inhibited the growth of lung cancer cells in the presence of CPT-11 in vitro. Lung cancer cells were inoculated in immune-deficient mice, and therapeutic cells were transplanted systematically through intracardiac arterial injection and then treated with CPT-11. In resting state, DR4 expression in lung cancer cells and DcR1 in NSCs increased to 70% and 90% after CPT-11 addition, respectively. The volumes of the tumors in immune-deficient mice were reduced significantly in mice with F3.CE.sTRAIL transplantation and CPT-11 treatment. The survival was also significantly prolonged with treatment with F3.sTRAIL and F3.CE plus CPT-11 as well as F3.CE.sTRAIL plus CPT-11. NSCs transduced with rCE and sTRAIL genes showed a significant anti-cancer effect on brain metastatic lung cancer in vivo and in vitro, and the effect may be synergistic when rCE/CPT-11 and sTRAIL are combined. This stem-cell-based study using two therapeutic genes of different biological effects can be translatable to clinical application.
Cytotoxic and Infection-Controlled Investigations of Novel Dihydropyridine Hybrids: An Efficient Synthesis and Molecular-Docking Studies
Authors: Guda Mallikarjuna R. , Zyryanov Grigory. V. , Dubey Amit , Munagapati Venkata Subbaiah , Wen Jet-Chau
Published: August 2023

A sequence of novel 1,4-dihydropyridines (DHP) and their hybrids was developed using a multicomponent strategy under environmentally benign conditions. In addition, computational studies were performed, and the ligand–protein interactions calculated in different bacteria and two fungal strains. Para-hydroxy-linked DHP (5f) showed the best binding energies of 3.591, 3.916, 8.499 and 6.895 kcal/mol against various pathogens used and other substances received a good docking score. The pathogen resistance potential of the synthesized targets against four bacteria and two fungi showed that whole DHP substances exhibit different levels of resistance to each microorganism. Gram-positive bacteria, which are highly sensitive to all molecules, and the MTCC-1884-encoded fungus strongly rejected the studied compounds compared to comparator drugs. In particular, the 5f candidate showed remarkable antimicrobial activity, followed by the substances 5a, 5b, 5j, 5k and 5l. Furthermore, MIC and MBC/MFC properties showed that 5f had a minimum bacterial concentration of 12.5 μg/mL against E. coli and against two fungal pathogens, with its killing activity being effective even at low concentrations. On the other hand, whole motifs were tested for their cytotoxic activity, revealing that the methoxy and hydroxy-linked compounds (5h) showed greater cytotoxic potency, followed by the two hydroxy linked compounds (5d and 5f). Overall, this synthetic approach used represents a prototype for future nature-favored synthesis methods and these biological results serve as a guide for future therapeutic drug research. However, the computer results play an important role in the further development of biological experiments.