bluuebunny/crossref_metadata_2025 huggingface dataset:
Disclosure of Risks and Opportunities in the Integrated Reports of South African Banks
Authors: Ramabulana Khuthadzo , Moosa Riyad
Published: November 2022

This study examined the disclosure of risks and opportunities in the integrated reports (IRs) of the top five banks in South Africa. It assesses whether the risk and opportunity disclosures provided comply with the requirements of the International Integrated Reporting Framework (IIRF), as well as the nature of the risks and opportunities disclosed in the IR. This study takes a qualitative approach and employs an interpretivist paradigm. The information for this study was obtained through content analysis of the individual banks’ latest available IRs. A checklist was created as a measuring tool to evaluate disclosure practices. The findings showed that three of the selected banks disclosed all the requirements contained in the IIRF regarding risks and opportunities, while two banks only partially complied as they did not provide disclosures about their opportunities. The findings concerning the nature of risk disclosures show that the selected banks disclosed 38 themes related to risks, and the findings concerning the nature of opportunity disclosures show that the selected banks disclosed 14 themes related to opportunities. Furthermore, the results show that those in charge of preparing the IRs provide a thorough disclosure of risks, while there is room for improvement concerning disclosure of opportunities.
The Role of Proximity in Transformational Development: The Case of Resource-Based Cities in China
Authors: Lu Shuo , Zhang Wenzhong , Li Jiaming , Ma Renfeng
Published: November 2022

Proactive integration into the national city network and the improvement of the level of openness to the outside world is important for the new period to promote the high-quality transformational development of resource-based cities. Based on the gravity model and social network analysis methods, the role of geographical proximity and network proximity (non-spatial proximity) in the high-quality transformation of resource-based cities is systematically analyzed. The impact of geographic proximity, network proximity, and their interactions on the transformation of resource-based cities was also empirically tested by constructing an econometric model. It is found that: (1) The cities with the highest gravitational values and gravitational values among the neighbouring cities of resource-based cities did not change significantly from 2001 to 2019, and cities with better transformation are mostly dominated by RBC-non–RBC combinations, with the gravitational values of neighbouring cities at the middle level. (2) The hierarchy of resource-based cities in both the national organizational network and investment network increased significantly during 2001–2019, but the difference is that the organizational network is centered on Beijing. (3) While there is an inverted U-shaped relationship between geographical proximity and transformation in resource-based cities, there is a linear positive relationship between network investment proximity and transformation. However, there is a substitution and complementary effect between the two, and they work together to promote the high-quality transformation of resource-based cities.
Impedance Spectroscopy as a Methodology to Evaluate the Reactivity of Metakaolin Based Geopolymers
Authors: Istuque Danilo Bordan , Sanches Alex Otávio , Bortoletto Marcelo , Malmonge José Antônio , Soriano Lourdes , Borrachero María Victoria , Payá Jordi , Tashima Mauro M. , Akasaki Jorge Luis
Published: November 2022

The aim of this study was to use the electrical impedance spectroscopy technique (IS) to carry out a systematic study on the mechanism of metakaolin geopolymerization for up to 7 curing days. The study was developed on two batches of metakaolin (MK), and their reaction processes were compared. Interpretative fundamental elements were developed based on the effective electrical conductivity curves regarding the metakaolin geopolymerization. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) were previously carried out and used to interpret and validate the electrical behavior of the fresh and hardened MK-based geopolymer pastes. The results highlighted the sensibility of the impedance technique to the identification and description of the MK geopolymerization process, as well as the changes resulting from even slight variations in the metakaolin composition. Furthermore, this indicated that the geopolymerization process in highly alkaline solutions could be divided into seven stages, including the processes of dissolution, nucleation, precipitation and formation of the gel and, eventually, the retraction/microcracks constitution. Late dissolution processes could be observed during the more advanced stages and were attributed to particles not being fully hydrated.
Estimation of Unmeasurable Vibration of a Rotating Machine Using Kalman Filter
Authors: Neisi Neda , Nieminen Vesa , Kurvinen Emil , Lämsä Ville , Sopanen Jussi
Published: November 2022

Rotating machines are typically equipped with vibration sensors at the bearing location and the information from these sensors is used for condition monitoring. Installing additional sensors may not be possible due to limitations of the installation and cost. Thus, the internal condition of machines might be difficult to evaluate. This study presents a numerical and experimental study on the case of a rotor supported by four rolling element bearings (REBs). As such, the study resembles a complex real-life industrial multi-fault scenario: a lack of information, uncertainties, and nonlinearities increase the overall complexity of the system. The study provides a methodology for modeling and analyzing complicated systems without prior information. First, the unknown model parameters of the system are approximated using measurement data and the linearized model. Thereafter, the Unscented Kalman Filter (UKF) is applied to the estimation of the vibration characteristics in unmeasured locations. As a result, the estimation of unmeasured vibration characteristics has a reasonable agreement with the rotor whirling, and the estimated results are within a 95% confidence interval. The proposed methodology can be considered as a transfer learning method that can be further used in other identification problems in the field of rotating machinery.
Multibody Modeling of a New Wheel/Track Reconfigurable Locomotion System for a Small Farming Vehicle
Authors: Grazioso Andrea , di Maria Enrico , Giannoccaro Nicola Ivan , Ishii Kazuo
Published: November 2022

Tracks and wheels are the most widely used running gear for the locomotion of agricultural vehicles. The main difference between the two systems is the contact area with the ground and, consequently, the pressure distribution. Evaluating the pressure distribution on the ground is important because soil damage and vehicle performance depend on it. This analysis is especially difficult for tracked vehicles, owing to their complexity compared with wheeled systems. In this paper, we describe a multibody model of a flexible track to evaluate the pressure distribution upon contact with soft terrain. The track considered in this study is part of a reconfigurable locomotion system of a small farming vehicle, which can vary the pressure distribution by switching from a wheeled vehicle to a half-tracked vehicle. The aim of such a vehicle is to minimize soil damage in addition to optimizing its performance. The model is used to characterize this vehicle and evaluate the pressure distribution with varying characteristic parameters, such as track tension, the position of the vehicle’s center of gravity, the weight distribution on the track itself, and the stiffness of the suspension system.
Mesostructure and Magnetic Properties of SiO2-Co Granular Film on Silicon Substrate
Authors: Grigoryeva Natalia A. , Ukleev Victor , Vorobiev Alexey A. , Stognij Alexander I. , Novitskii Nikolay N. , Lutsev Leonid V. , Grigoriev Sergey V.
Published: November 2022

Granular films SiO2(Co) exhibit unusual magnetic and magnetotransport properties which are strongly dependent on the composition of the film and material of a substrate. For example, the injection magnetoresistance (IMR) coefficient reaches a giant (GIMR) value of 105% at room temperature in SiO2(Co) films on an n-GaAs substrate. However, the IMR effect is negligible in the case of a similar granular film deposited on the n-Si substrate. In this report, the structural and magnetic properties of granular film SiO2(Co) on Si substrate are studied with the aim to understand the cause of the difference in IMR coefficients for SiO2(Co) thin film deposited on n-GaAs and on n-Si substrates. Investigations were carried out using complementary methods of Polarized Neutron Reflectometry, Grazing Incidence Small-Angle X-ray Scattering, X-ray Reflectometry, Scanning Electron Microscope, and SQUID magnetometry. It is shown that the interface layer between the granular film and Si substrate exhibits metallic rather than magnetic properties and eliminates the GIMR effect. This interface layer is associated with the Si diffusion to Co nanoparticles and the formation of the metallic cobalt silicides.
Strategic Licensing of Green Technologies to a Brown Rival: A Game Theoretical Analysis
Authors: Liu Liu , Yuan Ying , Wang Xiaoya , Huang Hongfu
Published: November 2022

This paper studies a green manufacturer’s strategic licensing of its green technology to a brown rival under the consideration of the green manufacturer’s environmental concerns. Consumers in the market have green awareness. Adopting the green technology not only helps manufacturers to reduce carbon emissions, but also to increase market sizes. The green manufacturer can choose from three technology licensing strategies, i.e., no licensing (N), royalty licensing (R) or fixed-fee licensing (F). The equilibrium licensing strategy can be derived by comparing the respective payoff after adopting the three strategies. It is found that the green manufacturer should choose fixed-fee licensing strategy when the market size expansion effect is strong, and the competition intensity is moderate; otherwise, the green manufacturer should choose royalty licensing strategy. Furthermore, it is found that when the green manufacturer is more concerned about environmental impacts, it will be more willing to choose fixed-fee licensing strategy, rather than royalty licensing strategy. Through numerical tests, some interesting results are also found. For example, the brown manufacturer might be hurt even if the cost reduction effect of technology licensing is relatively stronger. Moreover, it is found that consumer surplus and social welfare nonmonotonically change with the substitution level. In summary, this research tries to provide some guidelines to the industry and the society on better managing green technology diffusions.
On the Numerical Solution of 1D and 2D KdV Equations Using Variational Homotopy Perturbation and Finite Difference Methods
Authors: Kelil Abey Sherif , Appadu Appanah Rao
Published: November 2022

The KdV equation has special significance as it describes various physical phenomena. In this paper, we use two methods, namely, a variational homotopy perturbation method and a classical finite-difference method, to solve 1D and 2D KdV equations with homogeneous and non-homogeneous source terms by considering five numerical experiments with initial and boundary conditions. The variational homotopy perturbation method is a semi-analytic technique for handling linear as well as non-linear problems. We derive classical finite difference methods to solve the five numerical experiments. We compare the performance of the two classes of methods for these numerical experiments by computing absolute and relative errors at some spatial nodes for short, medium and long time propagation. The logarithm of maximum error vs. time from the numerical methods is also obtained for the experiments undertaken. The stability and consistency of the finite difference scheme is obtained. To the best of our knowledge, a comparison between the variational homotopy perturbation method and the classical finite difference method to solve these five numerical experiments has not been undertaken before. The ideal extension of this work would be an application of the employed methods for fractional and stochastic KdV type equations and their variants.
Design of a Gas Permeation and Pervaporation Membrane Model for an Open Source Process Simulation Tool
Authors: Aziaba Kouessan , Jordan Christian , Haddadi Bahram , Harasek Michael
Published: November 2022

Gas permeation and pervaporation are technologies that emerged several decades ago. Even though they have discovered increasing popularity for industrial separation processes, they are not represented equally within process simulation tools except for commercial systems. The availability of such a numerical solution shall be extended due to the design of a membrane model with Visual Basic based on the solution-diffusion model. Although this works approach is presented for a specific process simulator application, the algorithm can generally be transferred to any other programming language and process simulation solver, which allows custom implementations or modeling. Furthermore, the modular design of the model enables its further development by operators through the integration of physical effects. A comparison with experimental data of gas permeation and pervaporation applications as well as other published simulation data delivers either good accordance with the results or negligible deviations of less than 1% from other data.
Ultrafast Pulse Generation from Quantum Cascade Lasers
Authors: Wang Feihu , Qi Xiaoqiong , Chen Zhichao , Razeghi Manijeh , Dhillon Sukhdeep
Published: November 2022

Quantum cascade lasers (QCLs) have broken the spectral barriers of semiconductor lasers and enabled a range of applications in the mid-infrared (MIR) and terahertz (THz) regimes. However, until recently, generating ultrashort and intense pulses from QCLs has been difficult. This would be useful to study ultrafast processes in MIR and THz using the targeted wavelength-by-design properties of QCLs. Since the first demonstration in 2009, mode-locking of QCLs has undergone considerable development in the past decade, which includes revealing the underlying mechanism of pulse formation, the development of an ultrafast THz detection technique, and the invention of novel pulse compression technology, etc. Here, we review the history and recent progress of ultrafast pulse generation from QCLs in both the THz and MIR regimes.
Design and Load Kinematics Analysis of Rollover Rehabilitation Mechanism Fitting Human Motion Curve
Authors: Su Peng , Zhang Yuelin , Lun Qinglong , Ma Chao , Liu Yi , Zhang Leiyu , Huang Long
Published: November 2022

Supine rollover plays an important role in the prevention of pressure sores in long-term bedridden patients. It is of great significance to study the mechanism of human supine rollover movement and to design the rehabilitation rollover mechanism in line with man-machine cooperation. In human supine rollover movement, shoulder and hip are the key parts of force application. Based on anatomical theory, the motion trajectory information of shoulder and hip skeletal rehabilitation parts is collected by combining optical motion capture and rigid body modeling. Following a kinematics simulation analysis, the simulation curve was compared with the experimental curve track; the numerical difference was small. It is proved that the simulation model is correct, and it is also shown that the designed rehabilitation rollover mechanism can better reproduce the natural rolling motion state of the human body. It can meet the requirements of human-machine synergistic assisted lateral roll rehabilitation aids and provides a solution for pressure sore prevention.
Phase Formation Behavior and Thermoelectric Transport Properties of S-Doped FeSe2−xSx Polycrystalline Alloys
Authors: Park Okmin , Lee Se Woong , Park Sang Jeong , Kim Sang-il
Published: November 2022

Some transition-metal dichalcogenides have been actively studied recently owing to their potential for use as thermoelectric materials due to their superior electronic transport properties. Iron-based chalcogenides, FeTe2, FeSe2 and FeS2, are narrow bandgap (~1 eV) semiconductors that could be considered as cost-effective thermoelectric materials. Herein, the thermoelectric and electrical transport properties FeSe2–FeS2 system are investigated. A series of polycrystalline samples of the nominal composition of FeSe2−xSx (x = 0, 0.2, 0.4, 0.6, and 0.8) samples are synthesized by a conventional solid-state reaction. A single orthorhombic phase of FeSe2 is successfully synthesized for x = 0, 0.2, and 0.4, while secondary phases (Fe7S8 or FeS2) are identified as well for x = 0.6 and 0.8. The lattice parameters gradually decrease gradually with S content increase to x = 0.6, suggesting that S atoms are successfully substituted at the Se sites in the FeSe2 orthorhombic crystal structure. The electrical conductivity increases gradually with the S content, whereas the positive Seebeck coefficient decreases gradually with the S content at 300 K. The maximum power factor of 0.55 mW/mK2 at 600 K was seen for x = 0.2, which is a 10% increase compared to the pristine FeSe2 sample. Interestingly, the total thermal conductivity at 300 K of 7.96 W/mK (x = 0) decreases gradually and significantly to 2.58 W/mK for x = 0.6 owing to the point-defect phonon scattering by the partial substitution of S atoms at the Se site. As a result, a maximum thermoelectric figure of merit of 0.079 is obtained for the FeSe1.8S0.2 (x = 0.2) sample at 600 K, which is 18% higher than that of the pristine FeSe2 sample.
Depositional Environment and Hydrocarbon Distribution in the Silurian–Devonian Black Shales of Western Peninsular Malaysia Using Spectroscopic Characterization
Authors: Shoieb Monera Adam , Gebretsadik Haylay Tsegab , Ibad Syed Muhammad , Rahmani Omeid
Published: November 2022

The present study aimed to evaluate the hydrocarbon functional groups, aromaticity degree, and depositional environment in the Silurian–Devonian Kroh black shales of western peninsular Malaysia. Fourier transform infrared spectroscopy (FTIR) was applied to measure the hydrocarbon functional groups in the sedimentary succession and associated organic matter of the black shale samples. The results showed that aromatic C=C stretching, aromatic C-H out-of-plane, aromatic C-H in-plane, and aliphatic =C–H bending are the major hydrocarbon functional groups in the Kroh shales. Also, ultraviolet-visible spectroscopy (UV-Vis) was used to evaluate the type of humic substance and analyze the sample extract ratios of E4/E6. It was revealed that the methanol-treated Kroh shale samples ranged from 0.00048 to 0.12 for E4 and 0.0040 to 0.99 for E6. The lower E4/E6 ratio (>5) indicates the dominance of humic acid over fulvic acid in the Kroh shales. The Kroh shale samples’ total organic carbon content (TOC) ranges from 0.33 to 8.5 wt.%, analyzed by a multi-N/C 3100 TOC/TNb analyzer. The comparison study revealed that the TOC content of the Kroh shale has close obtainable values for the Montney shales of Canada. Furthermore, both hydrocarbon functional groups from FTIR, and the E4/E6 ratio from UV-Vis show no correlation with TOC content. It is revealed that humic acid, aromatic, and aliphatic hydrocarbons are not the controlling factors of the enrichment of organic matter in the Kroh shales. Conversely, a positive correlation between aliphatic and aromatic hydrocarbons in the Kroh shales indicated that organic matter is thermally overmatured. The presence of humic acid and enrichment of aromatic hydrocarbons in the Kroh shales demonstrated that the organic matter in these shales contains plant-derived hydrophilic minerals, i.e., terrestrial in origin. These findings may provide clues on the depositional and thermal maturation of organic matter for the exploration efforts into the pre-Tertiary sedimentary successions of the peninsular.
Heteroepitaxy Growth and Characterization of High-Quality AlN Films for Far-Ultraviolet Photodetection
Authors: Li Titao , Lu Yaoping , Chen Zuxin
Published: November 2022

The ultra-wide bandgap (~6.2 eV), thermal stability and radiation tolerance of AlN make it an ideal choice for preparation of high-performance far-ultraviolet photodetectors (FUV PDs). However, the challenge of epitaxial crack-free AlN single-crystalline films (SCFs) on GaN templates with low defect density has limited its practical applications in vertical devices. Here, a novel preparation strategy of high-quality AlN films was proposed via the metal organic chemical vapor deposition (MOCVD) technique. Cross-sectional transmission electron microscopy (TEM) studies clearly indicate that sharp, crack-free AlN films in single-crystal configurations were achieved. We also constructed a p-graphene/i-AlN/n-GaN photovoltaic FUV PD with excellent spectral selectivity for the FUV/UV-C rejection ratio of >103, a sharp cutoff edge at 206 nm and a high responsivity of 25 mA/W. This work provides an important reference for device design of AlN materials for high-performance FUV PDs.
Hexavalent Chromium Removal from Industrial Wastewater by Adsorption and Reduction onto Cationic Cellulose Nanocrystals
Authors: de Borja Ojembarrena Francisco , Sammaraie Hassan , Campano Cristina , Blanco Angeles , Merayo Noemi , Negro Carlos
Published: November 2022

Cationic cellulose nanocrystals (CCNC) are lignocellulosic bio-nanomaterials that present large, specific areas rich with active surface cationic groups. This study shows the adsorption removal of hexavalent chromium (Cr(VI)) from industrial wastewaters by the CCNC. The CCNC were synthetized through periodate oxidation and Girard’s reagent-T cationization. The high value of CCNCs cationic groups and anionic demand reveal probable nanocrystal-Cr(VI) attraction. Adsorption was performed with synthetic Cr(VI) water at different pH, dosage, Cr(VI) concentration and temperature. Fast removal of Cr(VI) was found while operating at pH 3 and 100 mg·L−1 of dosage. Nevertheless, a first slower complete removal of chromium was achieved by a lower CCNC dosage (40 mg·L−1). Cr(VI) was fully converted by CCNC into less-toxic trivalent species, kept mainly attached to the material surface. The maximum adsorption capacity was 44 mg·g−1. Two mechanisms were found for low chromium concentrations (Pseudo-first and pseudo-second kinetic models and continuous growth multi-step intraparticle) and for high concentrations (Elovich model and sequential fast growth-plateau-slow growth intraparticle steps). The Sips model was the best-fitting isotherm. Isotherm thermodynamic analysis indicated a dominant physical sorption. The Arrhenius equation revealed an activation energy between physical and chemical adsorption. CCNC application at selected conditions in industrial wastewater achieved a legal discharge limit of 40 min.
The Association of Serum L-Carnitine Concentrations with the Risk of Cancer in Chinese Adults with Hypertension
Authors: Liu Tong , Liu Chenan , Wang Xiaomeng , Wei Yaping , Li Shuqun , Song Yun , Chen Ping , Liu Lishun , Wang Binyan , Shi Hanping
Published: November 2022

Background: The effect of serum L-carnitine (LC) concentrations on cancer risk remains unclear. This study aims to explore the association between serum LC and the risk of incident cancer. Methods: This is a case-control study, including 574 patients with incident cancer and 574 controls matched in a 1:1 ratio by age, sex, and residence, nested within the China H-Type Hypertension Registry Study (CHHRS). Conditional logistic regression analysis was used to assess the association of serum LC and incident cancer risk. Results: When LC was assessed as quartiles, compared with patients with low LC (Q1), patients in the highest quartile (Q4) had a 33% (OR = 0.67, 95% CI: 0.46 to 0.99), 52% (OR = 0.48, 95% CI: 0.23 to 0.99), and 39% (OR = 0.61, 95% CI: 0.38 to 0.99) decreased risk of overall, digestive system, and non-digestive system cancer in the adjusted models, respectively. In subgroup analyses, an inverse association of LC with cancer risk was observed in individuals who were overweight (obese), who never drink, who never smoke, and who were female. In the mediation analysis, serum trimethylamine-N-oxide (TMAO) concentrations did not mediate the reversed association of LC with cancer risk. Conclusions: This study showed that serum LC concentrations had a protective impact on overall, digestive system, and non-digestive system cancer risk.
Nutraceuticals: A Promising Therapeutic Approach in Ophthalmology
Authors: Castro-Castaneda Carlos Rodrigo , Altamirano-Lamarque Francisco , Ortega-Macías Alan Gabriel , Santa Cruz-Pavlovich Francisco J. , Gonzalez-De la Rosa Alejandro , Armendariz-Borunda Juan , Santos Arturo , Navarro-Partida Jose
Published: November 2022

Oxidative stress represents one of the main factors driving the pathophysiology of multiple ophthalmic conditions including presbyopia, cataracts, dry eye disease (DED), glaucoma, age-related macular degeneration (AMD) and diabetic retinopathy (DR). Currently, different studies have demonstrated the role of orally administered nutraceuticals in these diseases. For instance, they have demonstrated to improve lens accommodation in presbyopia, reduce protein aggregation in cataracts, ameliorate tear film stability, break up time, and tear production in dry eye, and participate in the avoidance of retinal neuronal damage and a decrease in intraocular pressure in glaucoma, contribute to the delayed progression of AMD, or in the prevention or treatment of neuronal death in diabetic retinopathy. In this review, we summarized the nutraceuticals which have presented a positive impact in ocular disorders, emphasizing the clinical assays. The characteristics of the different types of nutraceuticals are specified along with the nutraceutical concentration used to achieve a therapeutic outcome in ocular diseases.
Multidrug-Resistant Biofilms (MDR): Main Mechanisms of Tolerance and Resistance in the Food Supply Chain
Authors: de Brito Francisca A. E. de , de Freitas Ana P. P. de , Nascimento Maristela S.
Published: November 2022

Biofilms are mono- or multispecies microbial communities enclosed in an extracellular matrix (EPS). They have high potential for dissemination and are difficult to remove. In addition, biofilms formed by multidrug-resistant strains (MDRs) are even more aggravated if we consider antimicrobial resistance (AMR) as an important public health issue. Quorum sensing (QS) and horizontal gene transfer (HGT) are mechanisms that significantly contribute to the recalcitrance (resistance and tolerance) of biofilms, making them more robust and resistant to conventional sanitation methods. These mechanisms coordinate different strategies involved in AMR, such as activation of a quiescent state of the cells, moderate increase in the expression of the efflux pump, decrease in the membrane potential, antimicrobial inactivation, and modification of the antimicrobial target and the architecture of the EPS matrix itself. There are few studies investigating the impact of the use of inhibitors on the mechanisms of recalcitrance and its impact on the microbiome. Therefore, more studies to elucidate the effect and applications of these methods in the food production chain and the possible combination with antimicrobials to establish new strategies to control MDR biofilms are needed.
More Evidence about Monkeypox Sexual Transmission in the Current 2022 Multi-Country Outbreak. Reply to Vera et al. Comment on “Sah et al. Monkeypox and Its Possible Sexual Transmission: Where Are We Now with Its Evidence? Pathogens 2022, 11, 924”
Authors: Reda Abdullah , Sah Ranjit , Rodríguez-Morales Alfonso J.
Published: November 2022

We want to thank Milagros N. Vera and colleagues [...]
Impact of Cabozantinib Exposure on Proteinuria and Muscle Toxicity in Patients with Unresectable Hepatocellular Carcinoma
Authors: Okubo Hironao , Ando Hitoshi , Takasaki Yusuke , Nakadera Eisuke , Fukuo Yuka , Shiina Shuichiro , Ikejima Kenichi
Published: November 2022

This prospective study investigated the impact of cabozantinib exposure on proteinuria and muscle toxicity, in a cohort of 14 Japanese patients with unresectable hepatocellular carcinoma (uHCC). We measured the trough concentration of cabozantinib (Ctrough) weekly for 6 weeks after starting treatment. Although the initial dose was less than 60 mg in most cases, dose interruption occurred in 79%, primarily because of proteinuria and/or malaise. The median and coefficient of variation of maximum Ctrough at 7–42 d were 929.0 ng/mL and 59.2%, respectively. The urinary protein-to-creatinine ratio (UPCR), serum creatine kinase, and serum aldolase values were all significantly elevated following treatment. Moreover, maximum changes in serum creatine kinase and aldolase were significantly associated with maximum Ctrough (r = 0.736, p < 0.01; r = 0.798, p < 0.001; respectively). Receiver operating characteristic (ROC) curve analysis showed that changes in serum creatine kinase ≥70.5 U/L and aldolase ≥6.1 U/L from baseline relatively accurately predicted inclusion in the high-maximum Ctrough (≥929.0 ng/mL) group, with an area under the ROC of 0.929 and 0.833, respectively. Measurement of serum creatine kinase and aldolase may increase the clinical usefulness of cabozantinib treatment for uHCC and help alleviate difficulties with dose adjustments.
Kinetics of Drug Release from Clay Using Enhanced Sampling Methods
Authors: Borrego-Sánchez Ana , Debnath Jayashrita , Parrinello Michele
Published: November 2022

A key step in the development of a new drug, is the design of drug–excipient complexes that lead to optimal drug release kinetics. Computational chemistry and specifically enhanced sampling molecular dynamics methods can play a key role in this context, by minimizing the need for expensive experiments, and reducing cost and time. Here we show that recent advances in enhanced sampling methodologies can be brought to fruition in this area. We demonstrate the potential of these methodologies by simulating the drug release kinetics of the complex praziquantel–montmorillonite in water. Praziquantel finds promising applications in the treatment of schistosomiasis, but its biopharmaceutical profile needs to be improved, and a cheap material such as the montmorillonite clay would be a very convenient excipient. We simulate the drug release both from surface and interlayer space, and find that the diffusion of the praziquantel inside the interlayer space is the process that limits the rate of drug release.
Intranasal Administration of N-acetyl-L-cysteine Combined with Cell-Penetrating Peptide-Modified Polymer Nanomicelles as a Potential Therapeutic Approach for Amyotrophic Lateral Sclerosis
Authors: Kurano Takumi , Kanazawa Takanori , Iioka Shingo , Kondo Hiromu , Kosuge Yasuhiro , Suzuki Toyofumi
Published: November 2022

Intranasal administration is a promising route for direct drug delivery to the brain; its combination with nanocarriers enhances delivery. We have previously shown that intranasal administration combined with PEG-PCL-Tat (a nanocarrier) efficiently delivers drugs to the brain and exhibits excellent therapeutic efficacy against brain diseases. We aimed to clarify whether intranasal administration combined with PEG-PCL-Tat represents a useful drug delivery system (DDS) for amyotrophic lateral sclerosis (ALS) pharmacotherapy. We used N-acetyl-L-cysteine (NAC) as a model drug with low transferability to the spinal cord and determined the physicochemical properties of NAC/PEG-PCL-Tat. After intranasal administration of NAC/PEG-PCL-Tat, we measured the survival duration of superoxide dismutase-1 G93A mutant transgenic mice (G93A mice), widely used in ALS studies, and quantitatively analyzed the tissue distribution of NAC/PEG-PCL-Tat in ddY mice. The mean particle size and zeta potential of NAC/PEG-PCL-Tat were 294 nm and + 9.29 mV, respectively. Treatment with repeated intranasal administration of NAC/PEG-PCL-Tat considerably prolonged the median survival of G93A mice by 11.5 days compared with that of untreated G93A mice. Moreover, the highest distribution after a single administration of NAC/PEG-PCL-Tat was measured in the spinal cord. These results suggest that intranasal administration combined with PEG-PCL-Tat might represent a useful DDS for ALS therapeutics.
Novel Combination of the Biophysical, Nutritional, and Nutraceutical Properties in Subtropical Pigmented Maize Hybrids
Authors: Tiessen-Favier Axel , Escalante-Aburto Anayansi , Espinosa-Leal Claudia , García-Lara Silverio
Published: November 2022

Maize (Zea mays L.) represents the main caloric source for much of the world’s population. Pigmented maize varieties are an excellent source of nutraceutical compounds: blue and yellow maize are rich in anthocyanins as well as carotenoids and phenolic acids, respectively. However, blue maize is usually grown in small quantities as a specialty crop because it lacks the qualities and adaptations of commercial white and yellow varieties. Here, a new high-yield variety of blue maize called Vitamaiz was developed from inbred lines of subtropical blue, white, and yellow maize. The aim of this study was to characterize the nutraceutical and physical properties of 30 Vitamaiz hybrids in two subtropical locations. Kernel physical traits, nutrient composition, and nutraceutical components (free phenolic acids, FPA; cell wall-bound phenolic acids, BPA; total monomeric anthocyanin content, TAC; antioxidant capacity, AOX by oxygen radical absorbance capacity assay, and total carotenoid content, TCC) were evaluated. The biophysical traits of the hybrids were suitable for nixtamalized and flour maize industries. High levels of FPA (228 mg GAE/100 g), BPA (635 mg GAE/100 g), and AOX (2.0 and 8.1 mM Trolox equivalent/100 g for FPA and BPA, respectively) were also detected with elevated TAC levels (274 mg C3G/kg dw) and AOX activity (3.1 mM Trolox equivalent/100 g). This is the first study to characterize Blue × Yellow maize hybrids that adapt to subtropical environments.
The LC-MS/MS Identification and Analgesic and Wound Healing Activities of Lavandula officinalis Chaix: In Vivo and In Silico Approaches
Authors: Slighoua Meryem , Chebaibi Mohamed , Mahdi Ismail , Amrati Fatima Ez-zahra , Conte Raffaele , Cordero Mary Anne W. , Alotaibi Amal , Saghrouchni Hamza , Agour Abdelkrim , Zair Touria , Bari Amina , Bousta Dalila
Published: November 2022

We earlier emphasized in vivo the lavender plant’s (Lavandula officinalis Chaix.) anti-inflammatory and estrogenic activities and described the chemical compositions of its hydro-ethanolic (HE) extract. We used LC-MS/MS and GC-MS analyses to profile the phytochemical composition of the HE extract and to assess the analgesic and wound-healing effects of both the hydro-ethanolic (HE) and polyphenolic (LOP) extracts in vivo and in silico. The analgesic activity was studied using two methods: acetic acid and formalin injections in mice. The wound-healing activity was carried out over 25 days using a burn model in rats. In the in silico study, the polyphenols identified in the plant were docked in the active sites of three enzymes: casein kinase-1, cyclooxygenase-2, and glycogen synthase kinase-3β. The LC-MS/MS identified some phenolic compounds, mainly apigenin, catechin, and myricetin, and the GC-MS analysis revealed the presence of 19 volatile compounds with triazole, D-glucose, hydroxyphenyl, and D-Ribofuranose as the major compounds. The HE and LOP extracts showed significant decreases in abdominal writhes, and the higher licking time of the paw (57.67%) was observed using the LOP extract at 200 mg/kg. Moreover, both extracts showed high healing percentages, i.e., 99.31 and 92.88%, compared to the control groups, respectively. The molecular docking showed that myricetin, amentoflavone, apigenin, and catechin are the most active molecules against the three enzyme receptors. This study sheds light on the potential of L. officinalis Chaix as a source of natural products for pharmaceutical applications for analgesic purposes as well as their utility in promoting burn-healing activity.
Root-Shoot Nutrient Dynamics of Huanglongbing-Affected Grapefruit Trees
Authors: Hallman Lukas M. , Kadyampakeni Davie M. , Fox John-Paul , Wright Alan L. , Rossi Lorenzo
Published: November 2022

With huanglongbing (HLB) causing a reduction in fine root mass early in disease progression, HLB-affected trees have lower nutrient uptake capability. Questions regarding the uptake efficiency of certain fertilizer application methods have been raised. Therefore, the goals of this study are to determine if nutrient management methods impact nutrient translocation and identify where in the tree nutrients are translocated. Destructive nutrient and biomass analysis were conducted on field grown HLB-affected grapefruit trees (Citrus × paradisi) grafted on ‘sour orange’ (Citrus × aurantium) rootstock under different fertilizer application methods. Fertilizer was applied in the form of either 100% soluble granular fertilizer, controlled release fertilizer (CRF), or liquid fertilizer. After three years, the entire tree was removed from the grove, dissected into eight different components (feeder roots, lateral roots, structural roots, trunk, primary branches, secondary branches, twigs, and leaves), weighed, and then analyzed for nutrient contents. Overall, application methods showed differences in nutrient allocation in leaf, twig, and feeder root; however, no consistent pattern was observed. Additionally, leaf, twig, and feeder roots had higher amount of nutrients compared to the other tree components. This study showed that fertilization methods do impact nutrient contents in different components of HLB-affected trees. Further research should be conducted on the impact of different fertilizer application methods and rates on HLB-affected trees.
Development of a High-Density Genetic Map for Muscadine Grape Using a Mapping Population from Selfing of the Perfect-Flowered Vine ‘Dixie’
Authors: Lytkin Kirill , Nosulchak Vasily , Agakhanov Magamedgusein , Matveikina Elena , Lushchay Ekaterina , Karzhaev Dmitry , Raines Evgenii , Vasylyk Irina , Rybachenko Nataliya , Grigoreva Elizaveta , Volkov Vladimir , Volynkin Vladimir , Gentzbittel Laurent , Potokina Elena
Published: November 2022

Intraspecific diversity of the immune grape Muscadinia rotundifolia Michaux. can serve as a rich source of valuable resistance loci to the most widespread pathogens and pests of grapevine. While only one Run1/Rpg1 resistance locus has been introgressed from M. rotundifolia to the Vitis vinifera gene pool, a number of other genes conferring resistance to powdery mildew and downy mildew have been identified in various Muscadinia cultivars. A larger introduction of Muscadinia varieties to the European continent would greatly facilitate experiments of interspecific crosses as well as stimulate biotechnological efforts to overcome the main barrier to F1 fertility caused by the differences in chromosome number. For the successful introduction of Muscadinia into the new European environment, it is necessary to overcome the difficulties associated with the physiological characteristics of the species, such as insufficient cold tolerance and very late fruit ripening. To facilitate the further discovery of valuable loci in Muscadinia and their transfer to grapevine breeding programs, we constructed a high-density linkage map using an S1 mapping population obtained from the self-pollination of M. rotundifolia cv. Dixie maintained on the southern coast of Crimea. Using ddRADseq, 3730 SNPs were ordered across 20 linkage groups spanning 2753.6 cM of the total map length. No segregation in resistance to diseases and pests was observed among the ‘Dixie’ S1 population, suggesting the presence of homozygous non-segregating resistant loci in the genetic background of ‘Dixie’. Markers with high segregation distortion showed a bias towards chromosomal intervals on linkage groups 10 and 20, where loci affecting the survival of ‘Dixie’ S1 progeny may be localized. QTLs with significant additive and dominance effects were discovered on LG14 and LG18, affecting the morphological traits associated with the vigor of growth and adaptability of young Muscadinia vines in the conditions of Crimea.
Novel Biocatalysts Based on Bromelain Immobilized on Functionalized Chitosans and Research on Their Structural Features
Authors: Holyavka Marina G. , Goncharova Svetlana S. , Sorokin Andrey V. , Lavlinskaya Maria S. , Redko Yulia A. , Faizullin Dzhigangir A. , Baidamshina Diana R. , Zuev Yuriy F. , Kondratyev Maxim S. , Kayumov Airat R. , Artyukhov Valeriy G.
Published: November 2022

Enzyme immobilization on various carriers represents an effective approach to improve their stability, reusability, and even change their catalytic properties. Here, we show the mechanism of interaction of cysteine protease bromelain with the water-soluble derivatives of chitosan—carboxymethylchitosan, N-(2-hydroxypropyl)-3-trimethylammonium chitosan, chitosan sulfate, and chitosan acetate—during immobilization and characterize the structural features and catalytic properties of obtained complexes. Chitosan sulfate and carboxymethylchitosan form the highest number of hydrogen bonds with bromelain in comparison with chitosan acetate and N-(2-hydroxypropyl)-3-trimethylammonium chitosan, leading to a higher yield of protein immobilization on chitosan sulfate and carboxymethylchitosan (up to 58 and 65%, respectively). In addition, all derivatives of chitosan studied in this work form hydrogen bonds with His158 located in the active site of bromelain (except N-(2-hydroxypropyl)-3-trimethylammonium chitosan), apparently explaining a significant decrease in the activity of biocatalysts. The N-(2-hydroxypropyl)-3-trimethylammonium chitosan displays only physical interactions with His158, thus possibly modulating the structure of the bromelain active site and leading to the hyperactivation of the enzyme, up to 208% of the total activity and 158% of the specific activity. The FTIR analysis revealed that interaction between N-(2-hydroxypropyl)-3-trimethylammonium chitosan and bromelain did not significantly change the enzyme structure. Perhaps this is due to the slowing down of aggregation and the autolysis processes during the complex formation of bromelain with a carrier, with a minimal modification of enzyme structure and its active site orientation.
Novel Polyelectrolyte Complex Membranes Containing Carboxymethyl Cellulose–Gelatin for Pervaporation Dehydration of Azeotropic Bioethanol for Biofuel
Authors: Kalahal Prakash B. , Sajjan Ashok M. , Yunus Khan T. M. , Rajhi Ali A. , Achappa Sharanappa , Banapurmath Nagaraj R. , M Ashwini , Duhduh Alaauldeen A.
Published: November 2022

Polyelectrolyte complex membranes (PECMs) were prepared by combining sodium carboxymethyl cellulose (NaCMC) and gelatin (Ge) with variations in the Ge content in the NaCMC matrix. Characterization methods, such as infrared spectroscopy (FTIR), wide-angle X-ray diffraction (WAXD), thermogravimetric analysis (TGA), scanning electron microscopy (SEM), contact angle analysis (CA), and universal testing machines (UTM) were used to investigate the physicochemical studies of the prepared membranes. The pervaporation characteristics of membranes with Ge content were investigated using an azeotropic mixture of water and bioethanol. The obtained data revealed that the membrane with 15 mass% of Ge (M-3) showed a maximum flux of 7.8403 × 10−2 kg/m2·h with separation selectivity of 2917 at 30 °C. In particular, the total and water flux of PECMs are shown as very close to each other indicating that the fabricated membranes could be employed to successfully break the azeotropic point of water–bioethanol mixtures. Using temperature-dependent permeation and diffusion data, the Arrhenius activation parameters were calculated, and the obtained values of water permeation (Epw) were considerably smaller than bioethanol permeation (EpE). Developed membranes showed the positive heat of sorption (ΔHs), suggesting that Henry’s sorption mode is predominant.
Screening of Polyethylene-Degrading Bacteria from Rhyzopertha Dominica and Evaluation of Its Key Enzymes Degrading Polyethylene
Authors: Zhang Yao , Lin Yuan , Gou Hongmei , Feng Xu , Zhang Xian , Yang Lijuan
Published: November 2022

Polyethylene (PE) is widely used, and it has caused serious environmental problems due to its difficult degradation. At present, the mechanism of PE degradation by microorganisms is not clear, and the related enzymes of PE degradation need to be further explored. In this study, Acinetobacter baumannii Rd-H2 was obtained from Rhizopertha dominica, which had certain degradation effect on PE plastic. The degradation performance of the strains was evaluated by weight loss rate, SEM, ATR/FTIR, WCA, and GPC. The multi-copper oxidase gene abMco, which may be one of the key genes for PE degradation, was analyzed and successfully expressed in E. coli. The laccase activity of the gene was determined, and the enzyme activity was up to 159.82 U/L. The optimum temperature and pH of the enzyme are 45 °C and 4.5 respectively. It shows good stability at 30–45 °C. Cu2+ can activate the enzyme. The abMCO was used to degrade polyethylene film, showing a good degradation effect, proving that the enzyme could be the key to degrading PE.
p-Type PVA/MWCNT-Sb2Te3 Composites for Application in Different Types of Flexible Thermoelectric Generators in Combination with n-Type PVA/MWCNT-Bi2Se3 Composites
Authors: Andzane Jana , Buks Krisjanis , Bitenieks Juris , Bugovecka Lasma , Kons Artis , Merijs-Meri Remo , Svirksts Janis , Zicans Janis , Erts Donats
Published: November 2022

This work is devoted to the fabrication of p-type polyvinyl alcohol (PVA)-based flexible thermoelectric composites using multiwall carbon nanotubes-antimony telluride (MWCNT-Sb2Te3) hybrid filler, the study of the thermoelectrical and mechanical properties of these composites, and the application of these composites in two types (planar and radial) of thermoelectric generators (TEG) in combination with the previously reported PVA/MWCNT-Bi2Se3 flexible thermoelectric composites. While the power factors of PVA/MWCNT-Sb2Te3 and PVA/MWCNT-Bi2Se3 composites with 15 wt.% filler were found to be similar, the PVA/MWCNT-Sb2Te3 composite with 25 wt.% filler showed a ~2 times higher power factor in comparison with the PVA/MWCNT-Bi2Se3 composites with 30 wt.% filler, which is attributed to its reduced electrical resistivity. In addition, developed PVA/MWCNT-Sb2Te3 composites showed a superior mechanical, electrical, and thermoelectric stability during 100 consequent bending cycles down to a 3 mm radius, with insignificant fluctuations of the resistance within 0.01% of the initial resistance value of the not bent sample. Demonstrated for the first time, 2-leg TEGs composed from p-type PVA/MWCNT-Sb2Te3 and n-type PVA/MWCNT-Bi2Se3 composites showed a stable performance under different external loads and showed their potential for applications involving low temperature gradients and power requirements in the range of nW.