bluuebunny/crossref_metadata_2025 huggingface dataset:
Metalloproteinases between History, Health, Disease, and the Complex Dimension of Social Determinants of Health
Authors: Costa Davide , Ielapi Nicola , Minici Roberto , Bevacqua Egidio , Ciranni Salvatore , Cristodoro Lucia , Torcia Giuseppina , Di Taranto Maria Donata , Bracale Umberto Marcello , Andreucci Michele , Serra Raffaele
Published: July 2023

Metalloproteinases (MPs) belong to the superfamily of zinc endopeptidases, which are called metzincins. Three families of MPs have been studied in healthy and diseased conditions in humans. The first study on MPs was published in 1962, and following that, several studies characterized their activity and their effect on health and disease. Several diseases have been related to MPs, such as cardiovascular disease, cancer, inflammatory diseases, gynecological disorders, and others. Moreover, tissue inhibitors of metalloproteinases (TIMPs) have been widely studied, and drugs and artificial molecules that could target MP activity have been evaluated. MPs are relevant to public health because of their role in several diseases and, most of all, their role as biomarkers that also impact the quality of life and the psychosocial dimension of affected patients. In this context, new pathways to precision health and precision medicine have been opened in the area of MPs. This review describes, from the initial studies, the complex dimensions of MPs and related issues centered on health and disease dimensions.
Polycentric Spatial Structure Evolution and Influencing Factors of the Kunming–Yuxi Urban Agglomeration: Based on Multisource Big Data Fusion
Authors: Zhang Jun , Zhang Runni , Zhang Xue , Yuan Xiaodie
Published: July 2023

The polycentric spatial structure is the most common spatial form of urban agglomerations, so exploring the evolution of this structure and analyzing its influencing factors is of great significance for the optimization of the spatial structure of urban agglomerations. However, there are relatively few studies on the topic that fuse multisource big data analysis, especially in the urban agglomeration of Western China. Therefore, this study uses a fusion of nighttime light (NTL) data, point of interest (POI) data and LandScan data to identify the polycentric spatial structure and its evolution in the Kunming–Yuxi (Kunyu) urban agglomeration and analyzes the factors that have dominated its evolution at different periods using geographic detectors. Results show that the fusion of multisource big data are more in line with the actual development process of the Kunyu urban agglomeration and the factors that have dominated the spatial evolution at different periods vary but the government and sectors have gradually become increasingly important. This study provides a feasible path for exploring urban spatial evolution through the fusion analysis of multisource big data in the Kunyu urban agglomeration and provides a reference for the key directions of urban agglomeration planning and development at different periods.
Coordinated Development Path of Cultivated Land Utilization in Henan Section of the Yellow River Basin
Authors: Cheng Yaohan , Li Chengxiu , He Shuting , Li Ling , Dong Liangyun , Wang Xiuli
Published: July 2023

Rational differentiated utilization of cultivated land can effectively coordinate the contradiction between ecological protection, cultivated land utilization, and urban development. Therefore, this article adopts the southern section of the Yellow River Basin as an example, starting with vulnerability and resilience and then formulating an index system for evaluating farmland ecological vulnerability and farmland resilience. Moreover, this article combines Future Land-Use Simulation–Urban Growth Boundaries (FLUS–UGBs) to conduct urban development boundary simulations, which take the urban development boundary as restrictions and comprehensive division and determine the differentiated utilization zoning strategies for cultivated land to achieve coordinated development between ecological protection, cultivated land use, and urban development. The following results are presented: (1) The ecological vulnerability of the research area mainly involves low-to-medium vulnerability; the western and middle sections of the research area demonstrate high and low ecological vulnerability, respectively. (2) Areas with high resilience of cultivated land are mainly located in the mid-eastern part of the research area, and those with low resilience mainly involve the western mountains. (3) The four-quadrant method, the PLUS model, and the FLUS-UGB module are employed to determine differentiated usage zones for cultivated land to achieve rational allocation and effective use of resources.
Exercise for Mental Well-Being: Exploring Neurobiological Advances and Intervention Effects in Depression
Authors: Ren Jianchang , Xiao Haili
Published: July 2023

Depression is a common mental disorder in which patients often experience feelings of sadness, fatigue, loss of interest, and pleasure. Exercise is a widely used intervention for managing depression, but the specific molecular mechanisms underlying its antidepressant effect are unclear. In this narrative review, we aim to synthesize current knowledge on the molecular, neural, and physiological mechanisms through which exercise exerts its antidepressant effect and discuss the various exercise interventions used for managing depression. We conducted a narrative review of the literature on the topic of exercise and depression. Our review suggests that exercise impacts peripheral tryptophan metabolism, central inflammation, and brain-derived neurotrophic factors through the peroxisome proliferator-activated receptor γ activating factor 1α (PGC-1α) in skeletal muscles. The uncarboxylated osteocalcin facilitates “bone-brain crosstalk”, and exercise corrects atypical expression of brain-gut peptides, modulates cytokine production and neurotransmitter release, and regulates inflammatory pathways and microRNA expression. Aerobic exercise is recommended at frequencies of 3 to 5 times per week with medium to high intensity. Here we highlight the significant potential of exercise therapy in managing depression, supported by the molecular, neural, and physiological mechanisms underlying its antidepressant effect. Understanding the molecular pathways and neural mechanisms involved in exercise’s antidepressant effect opens new avenues for developing novel therapies for managing depression.
Chronological Changes of Lower Urinary Tract Symptoms in Elderly Patients with Prostate Cancer after Low-Dose-Rate Prostate Brachytherapy
Authors: Tsuchiya Kunihiro , Kawase Makoto , Nakane Keita , Nakano Masahiro , Iinuma Koji , Kato Daiki , Takai Manabu , Tobisawa Yuki , Mori Takayuki , Takano Hirota , Kumano Tomoyasu , Matsuo Masayuki , Ito Takayasu , Koie Takuya
Published: July 2023

Background: To compare chronological changes in lower urinary tract symptoms (LUTS) after low-dose-rate prostate extended-release therapy (LDR-BT) using the overactive bladder symptom score (OABSS) in patients aged ≥ 75 years (elderly group) versus those aged < 75 years (control group). Materials and Methods: Patients with prostate cancer who underwent LDR-BT at Gifu University Hospital were included in this study. The International Prostate Symptom Score (IPSS), OABSS, and quality of life-based on urinary symptoms (IPSS-QOL) were evaluated before and after LDR-BT. We compared chronological changes in IPSS, OABSS, and IPSS-QOL in the elderly group with those in the control group and assessed the association between the resolution of OABSS and clinicopathological covariates. Results: A total of 484 patients were enrolled in this study. In the elderly group, the total IPSS, OABSS, and frequency scores increased at 1 month postoperatively, whereas the control group showed an increase at 3 months postoperatively. Multivariate analysis identified changes from baseline to the maximum OABSS and pre-treatment OABSS as significant predictors of delayed resolution of OABSS after LDR-BT. Conclusions: Changes in pre-treatment OABSS and pre- and post-LDR-BT OABSS values were independent predictors of delayed resolution of OABSS; however, no correlation was found with age.
What Is the Best Treatment of the Femoral Shaft Nonunion after Intramedullary Nailing? A Systematic Review
Authors: Bianco Prevot Luca , Nannini Alessandra , Mangiavini Laura , Bobba Andrea , Buzzi Sara , Sinigaglia Federico , Peretti Giuseppe
Published: July 2023

Nonunion (NU) is one of the most feared complications of femoral shaft fracture treatment. Femoral shaft fracture treatment is often linked with poor bone stock and reduced bone metabolism. In this paper, the goal is to carefully analyze the best treatment options for patients who developed nonunion after the intramedullary nailing of a femoral shaft fracture. A systematic review of the literature available in the PubMed, EMBASE and Cochran library databases was carried out, and 16 studies were included. Exclusion criteria included case reports and case series that do not have data about clinical outcomes or functional outcomes and included fewer than 10 patients. The reviewed data provide evidence for very good results about the treatment of this pathology with exchanging intramedullary nails or the implantation of a plate and screws (general healing rate of 96.3%). Moreover, the data support the utilization of autologous bone graft in order to stimulate the healing process. In conclusion, the choice between these two types of treatment must be guided by the type of pseudarthrosis that the patient presents. Additionally, bone grafting or growth factors promote bone regenerative processes, especially in patients with oligo-atrophic pseudoarthrosis.
Sustainable Green Economy for a Supply Chain with Remanufacturing by Both the Supplier and Manufacturer in a Varying Market
Authors: Karmakar Rimi , Mazumder Sanat K. , Hossain Md Billal , Illes Csaba Balint , Garai Arindam
Published: July 2023

Background: In a typical multiechelon supply chain, the supplier makes semifinished items, from which the manufacturer produces finished products to eventually get sold at retailers. However, the majority of existing supply chain models consider the remanufacturing of defective products by solely one organization, despite the fact that both the supplier and manufacturer can produce defective products. This study considers the remanufacturing of defective products with fresh materials and additional expenses by both the supplier and manufacturer. Contrary to well-established articles that hold major partners to be accountable for reducing carbon emissions under a carbon cap-and-trade policy, the proposed model presumes an initial green technological investment by each chain partner. Methods: This study represents a varying market with fuzzy cost components that are then defuzzified with λ-integral method. This study determines the critical values of three discrete and four other continuous decision variables that globally maximize the profitability of the proposed model. Results: Slower production with a longer cycle boosts profitability in a developing market. To increase profit, a case study on the oil and natural gas business suggested to reduce the production of defective items and cutting emission through green investments. Conclusions: Managers can sustainably boost profit via careful production, modern machinery, and slightly longer cycles.
N,N′-Bis(3-ethoxy-2-hydroxybenzylidene)-phenylene-1,3-diamine Methanol Solvate
Authors: Osypiuk Dariusz , Bartyzel Agata , Cristóvão Beata
Published: July 2023

A crystal structure and thermal characterization of a multisite Schiff base containing N2O2-inner and O4-outer coordination sites are reported. The title compound was characterized by X-ray structure analysis, 1H-NMR, 13C-NMR and ATR-FTIR spectroscopy, TG/DSC and TG-FTIR techniques. The compound crystallizes as a methanol solvate in the triclinic system, space group P1¯. The stable at room temperature compound, during heating in the air, first loses a methanol molecule. At higher temperature, the sample decomposition is associated with a strong exothermic effect and the emission of large amounts of carbon dioxide, carbon monoxide and ammonia.
Effect of Heat Treatment on Microstructure and Properties Evolution of Stainless Steel Cladding Plate
Authors: Li Luyan , Zhao Boshen , Chen Yongtong , Ding Yi
Published: July 2023

Heat treatments are necessary sometimes in order to improve comprehensive properties of stainless steel cladding plate (SSCP). However, carbon atoms in carbon steel diffuse into stainless cladding during the heat treatment process, thus decreasing its corrosion resistance. In this paper, optical microscopy, scanning electron microscopy, and microhardness and shear testing were employed to characterize the microstructure and mechanical properties of the bonding interface in SSCP. Then, the corrosion resistance of the stainless steel cladding surface was evaluated by electrochemical tests. The results showed that the diffusion of carbon atoms played an important role in enhancing the bonding strength of SSCP, but might lead to intergranular sensitization of the cladding surface because of chromium carbide precipitation. Notably, this precipitation could be induced by quenching and tempering treatment, and hindered by solution treatment. Hence, the cladding surface on SSCP after single solution treatment possessed the superior corrosion resistance, and SSCP with continuous solution and tempering treatment exhibited the highest bonding strength.
Comparison of Optical and Stylus Methods for Surface Texture Characterisation in Industrial Quality Assurance of Post-Processed Laser Metal Additive Ti-6Al-4V
Authors: Buchenau Theresa , Mertens Tobias , Lohner Hubertus , Bruening Hauke , Amkreutz Marc
Published: July 2023

Additive manufacturing technologies enable lightweight, functionally integrated designs and development of biomimetic structures. They contribute to the reduction of material waste and decrease in overall process duration. A major challenge for the qualification for aerospace applications is the surface quality. Considering Ti-64 laser powder bed fusion (LPBF) parts, particle agglomerations and resulting re-entrant features are characteristic of the upper surface layer. Wet-chemical post-processing of the components ensures reproducible surface quality for improved fatigue behaviour and application of functional coatings. The 3D SurFin® and chemical milling treatments result in smoother surface finishes with characteristic properties. In order to characterise these surfaces, three methods for surface texture measurement (contact and non-contact) were applied, namely confocal microscopy, fringe projection and stylus profilometry. The aim of this work was to show their suitability for measurement of laser powder bed fusion as-built and post-processed surfaces and compare results across the evaluated surface conditions. A user-oriented rating of the methods, summarising advantages and disadvantages of the used instruments specifically and the methods in general, is provided. Confocal microscopy reaches the highest resolution amongst the methods, but measurements take a long time. The raw data exhibit large measurement artefacts for as-built and chemically milled conditions, requiring proper data post-processing. The stylus method can only capture 2D profiles and the measurement was restricted by particle agglomerations and craters. However, the method (process and instrument) is entirely standardised and handheld devices are inexpensive, making it accessible for a large group of users. The fringe projection method was the quickest and easiest regarding measurement and data post-processing. Due to large areal coverage, reproduction of location when performing repeat measurements is possible. The spatial resolution is lower than for confocal microscopy but is still considered sufficiently high to characterise the investigated surface conditions.
CVD Synthesis of MoS2 Using a Direct MoO2 Precursor: A Study on the Effects of Growth Temperature on Precursor Diffusion and Morphology Evolutions
Authors: Somphonsane Ratchanok , Chiawchan Tinna , Bootsa-ard Waraporn , Ramamoorthy Harihara
Published: July 2023

In this study, the influence of growth temperature variation on the synthesis of MoS2 using a direct MoO2 precursor was investigated. The research showed that the growth temperature had a strong impact on the resulting morphologies. Below 650 °C, no nucleation or growth of MoS2 occurred. The optimal growth temperature for producing continuous MoS2 films without intermediate-state formation was approximately 760 °C. However, when the growth temperatures exceeded 800 °C, a transition from pure MoS2 to predominantly intermediate states was observed. This was attributed to enhanced diffusion of the precursor at higher temperatures, which reduced the local S:Mo ratio. The diffusion equation was analyzed, showing how the diffusion coefficient, diffusion length, and concentration gradients varied with temperature, consistent with the experimental observations. This study also investigated the impact of increasing the MoO2 precursor amount, resulting in the formation of multilayer MoS2 domains at the outermost growth zones. These findings provide valuable insights into the growth criteria for the effective synthesis of clean and large-area MoS2, thereby facilitating its application in semiconductors and related industries.
Effects of Mo Particles Addition on the Microstructure and Properties of 316 L Stainless Steels Fabricated by Laser Powder Bed Fusion
Authors: Li Bolin , Zhang Shuai , Wang Shenghai , Wang Li , He Yinchuan , Cui Yaning , Liu Dan , Wang Mingxu
Published: July 2023

Application of the 316 L stainless steel (SS) is limited by its relatively low wear resistance, insufficient strength, and poor corrosion resistance in special environments. To this end, effects of Mo particles addition on the microstructure, mechanical properties, and corrosion resistance of the laser powder bed fusion (LPBF) 316 L SS are investigated in this study. The results show that the addition of Mo particles from 0 wt.% to 10 wt.% can modify the crystal orientation and improve the strength, wear resistance, and corrosion resistance of LPBF 316 L SSs. Particularly, the LPBF 316 L SS forms a biphasic structure with a similar ratio of α-Fe to γ-Fe with 5 wt.% Mo addition. As a result, the corresponding samples possess both the excellent toughness of austenitic SSs and the high strength and corrosion resistance of ferrite SSs, which reaches a high tensile strength of about 830 MPa, together with a low friction coefficient of 0.421 μ. Since the Mo particles addition is beneficial to increase the content of Cr2O3 on the samples surface from 13.48% to 22.68%, the corrosion current density of 316 L SS decreases by two orders of magnitude from 569 nA to 6 nA, while the mechanical properties remain favorable. This study is expected to serve as a reference for the preparation of LPBF SSs with excellent integrated performance.
On the Size of Superconducting Islands on the Density-Wave Background in Organic Metals
Authors: Kochev Vladislav D. , Seidov Seidali S. , Grigoriev Pavel D.
Published: July 2023

Most high-Tc superconductors are spatially inhomogeneous. Usually, this heterogeneity originates from the interplay of various types of electronic ordering. It affects various superconducting properties, such as the transition temperature, the magnetic upper critical field, the critical current, etc. In this paper, we analyze the parameters of spatial phase segregation during the first-order transition between superconductivity (SC) and a charge- or spin-density wave state in quasi-one-dimensional metals with imperfect nesting, typical of organic superconductors. An external pressure or another driving parameter increases the transfer integrals in electron dispersion, which only slightly affects SC but violates the Fermi surface nesting and suppresses the density wave (DW). At a critical pressure Pc, the transition from a DW to SC occurs. We estimate the characteristic size of superconducting islands during this phase transition in organic metals in two ways. Using the Ginzburg–Landau expansion, we analytically obtain a lower bound for the size of SC domains. To estimate a more specific interval of the possible size of the superconducting islands in (TMTSF)2PF6 samples, we perform numerical calculations of the percolation probability via SC domains and compare the results with experimental resistivity data. This helps to develop a consistent microscopic description of SC spatial heterogeneity in various organic superconductors.
A Procedure for Modeling Genetic Diversity Distortions in Populations of Organisms with Mixed Reproductive Strategies
Authors: Poroshina Anastasiya , Sherbakov Dmitry
Published: July 2023

We propose an approach for modeling the pattern of the genetic diversity of microsatellite markers in a population with a mixed breeding strategy. Part of the population is reproduced sexually, and part is produced asexually. The method of the proposed simulation is different from others in that it produces a set of microsatellite markers as the outcome of a computer simulation of processes in a fixed-size population. These markers can be utilized with the assistance of available software to calculate various metrics of genetic diversity. Our approach is implemented in Python 3.10 and is accompanied by additional scripts that ensure result compatibility with programs that calculate different population characteristics.
High-Order Modeling, Zeroing Dynamics Control, and Perturbations Rejection for Non-Linear Double-Holding Water Tank
Authors: Ding Yaqiong , Jia Hanguang , Zhang Yunong , Qiu Binbin
Published: July 2023

The double-holding water tank system is a common non-linear control system that plays a crucial role in process control in the chemical industry. It consists of two cylindrical glass containers: the preset tank and the main tank. The main challenge in controlling this system is adjusting the main control valve to ensure that the actual liquid level of the main tank tracks the desired liquid level. This paper explores the zeroing dynamics (ZD) method and its application in tracking control. A non-linear model is developed for the double-holding water tank system, and the ZD method is used to design an effective controller (called the ZD controller) for tracking control. Additionally, the robustness of the double-holding water tank system in the presence of time-varying perturbations is investigated. In order to substantiate the effectiveness and robustness of the ZD controller, simulation experiments on four different tracking trajectories corresponding to four different practical situations, as well as an extra simulation experiment considering time-varying perturbations, are conducted. Furthermore, a comparative simulation experiment based on the backstepping method is conducted. The presented results successfully illustrate the feasibility and effectiveness of the ZD method for the tracking control of double-holding water tank systems.
On Meromorphic Parabolic Starlike Functions with Fixed Point Involving the q-Hypergeometric Function and Fixed Second Coefficients
Authors: Almutairi Norah Saud , Shahen Awatef , Darwish Hanan
Published: July 2023

This article defines a new class of meromorphic parabolic starlike functions in the punctured unit disc D*={z∈C:0<|z|<1} that includes fixed second coefficients of class As,cdψ,τ,ν,η and the q- hypergeometric functions. For the function belonging to the class As,cdψ,τ,ν,η, some properties are obtained, including the coefficient inequalities, closure theorems, and the radius of convexity.
Additional Anterolateral Ligament Reconstruction Helps Patients Improve Dynamic Postural Stability in Revision Anterior Cruciate Ligament Reconstruction
Authors: Lee Joon Kyu , Cho Seung-Ik , Lee Dhong-Won , Yang Sang-Jin , Kim Tae-Wook , Kim Jin-Goo
Published: July 2023

Background and Objectives: The goal in treating anterior cruciate ligament (ACL) injury especially in revision cases is return to sports activity by regaining dynamic postural stability. Among various methods to achieve this goal, additional anterolateral ligament reconstruction (ALLR) is gaining attention. The purpose of this study was to evaluate the effects of additional ALLR in revision ACL reconstruction (RACLR). Materials and Methods: Patients who underwent RACLR between July 2015 and June 2018 were enrolled. The exclusion criteria were less than 1-year follow-up, age older than 45 years, concomitant multiple ligament injuries, contralateral knee injury, subtotal or total meniscectomized state, and articular cartilage lesions worse than Outerbridge grade 3. Thirty-nine patients (20 patients; RACLR only (Group A), 19 patients; RACLR with additional ALLR (Group B)) were included. Clinical scores (Lysholm score, subjective International Knee Documentation Committee (IKDC) score, Tegner activity scale), isokinetic strength test, single-leg-hop for distance test (SLHDT), Y-balance test (YBT) were checked preoperatively and 1-year postoperatively. Results: Limb symmetry index values in YBT showed significantly better result in Group B 1-year postoperatively (Group A: 97.2 ± 4.0, Group B: 100.3 ± 2.9, p = 0.010), although there were no differences preoperatively between groups (Group A: 90.4 ± 6.7, Group B: 89.3 ± 5.5, p = 0.594). Regarding clinical scores, isokinetic strength tests, and SLHDT, there were no differences between groups preoperatively nor 1-year postoperatively. Conclusions: Additional ALLR in RACLR helped patients gain better dynamic postural stability at 1-year postoperative follow-up.
Screen Printed Particle-Based Microfluidics: Optimization and Exemplary Application for Heavy Metals Analysis
Authors: Saar Indrek , Evard Hanno
Published: July 2023

In this work, a screen-printing method was developed to create porous particle-based materials as layers with specifically designed shape to produce microfluidics systems. Among several tested binding agents, xanthan gum was found to be an excellent choice for a printing mixture thickener as well as a durable binder for the resulting material. In addition to demonstrating control over the shape of the printed microfluidics chips, control over material thickness, wetting characteristics and general method accuracy were also investigated. The applicability of the introduced method was further demonstrated with a development of an exemplary microfluidics chip for quantitative detection of Fe (III), Ni (II), Cu (II), Cd (II), and Pb (II) from a mixed sample at millimolar levels. The novel approaches demonstrated in this article offer new perspective into creating multiplexed on-site chemical analysis tests.
RisCO2: Implementation and Performance Evaluation of RISC-V Processors for Low-Power CO2 Concentration Sensing
Authors: Núñez-Prieto Ricardo , Castells-Rufas David , Terés-Terés Lluís
Published: July 2023

In the field of embedded systems, energy efficiency is a critical requirement, particularly for battery-powered devices. RISC-V processors have gained popularity due to their flexibility and open-source nature, making them an attractive choice for embedded applications. However, not all RISC-V processors are equally energy-efficient, and evaluating their performance in specific use cases is essential. This paper presents RisCO2, an RISC-V implementation optimized for energy efficiency. It evaluates its performance compared to other RISC-V processors in terms of resource utilization and energy consumption in a signal processing application for nondispersive infrared (NDIR) CO2 sensors.The processors were implemented in the PULPino SoC and synthesized using Vivado IDE. RisCO2 is based on the RV32E_Zfinx instruction set and was designed from scratch by the authors specifically for low-power signal demodulation in CO2 NDIR sensors. The other processors are Ri5cy, Micro-riscy, and Zero-riscy, developed by the PULP team, and CV32E40P (derived from Ri5cy) from the OpenHW Group, all of them widely used in the RISC-V community. Our experiments showed that RisCO2 had the lowest energy consumption among the five processors, with a 53.5% reduction in energy consumption compared to CV32E40P and a 94.8% reduction compared to Micro-riscy. Additionally, RisCO2 had the lowest FPGA resource utilization compared to the best-performing processors, CV32E40P and Ri5cy, with a 46.1% and a 59% reduction in LUTs, respectively. Our findings suggest that RisCO2 is a highly energy-efficient RISC-V processor for NDIR CO2 sensors that require signal demodulation to enhance the accuracy of the measurements. The results also highlight the importance of evaluating processors in specific use cases to identify the most energy-efficient option. This paper provides valuable insights for designers of energy-efficient embedded systems using RISC-V processors.
Improvement of the Airflow Energy Harvester Based on the New Diamagnetic Levitation Structure
Authors: Zhang Long , Shao Hang , Zhang Jiaxiang , Liu Deping , Aw Kean C. , Su Yufeng
Published: July 2023

This paper presents an improved solution for the airflow energy harvester based on the push–pull diamagnetic levitation structure. A four-notch rotor is adopted to eliminate the offset of the floating rotor and substantially increase the energy conversion rate. The new rotor is a centrally symmetrical-shaped magnet, which ensures that it is not subjected to cyclically varying unbalanced radial forces, thus avoiding the rotor’s offset. Considering the output voltage and power of several types of rotors, the four-notch rotor was found to be optimal. Furthermore, with the four-notch rotor, the overall average increase in axial magnetic spring stiffness is 9.666% and the average increase in maximum monostable levitation space is 1.67%, but the horizontal recovery force is reduced by 3.97%. The experimental results show that at an airflow rate of 3000 sccm, the peak voltage and rotation speed of the four-notch rotor are 2.709 V and 21,367 rpm, respectively, which are 40.80% and 5.99% higher compared to the three-notch rotor. The experimental results were consistent with the analytical simulation. Based on the improvement, the energy conversion factor of the airflow energy harvester increased to 0.127 mV/rpm, the output power increased to 138.47 mW and the energy conversion rate increased to 58.14%, while the trend of the levitation characteristics also matched the simulation results. In summary, the solution proposed in this paper significantly improves the performance of the airflow energy harvester.
Effect of Fermentation with Streptococcus thermophilus Strains on In Vitro Gastro-Intestinal Digestion of Whey Protein Concentrates
Authors: Helal Ahmed , Pierri Sara , Tagliazucchi Davide , Solieri Lisa
Published: July 2023

Three Streptococcus thermophilus strains, namely RBC6, RBC20, and RBN16, were proven to release bioactive peptides during whey protein concentrate (WPC) fermentation, resulting in WPC hydrolysates with biological activities. However, these bioactive peptides can break down during gastro-intestinal digestion (GID), hindering the health-promoting effect of fermented WPC hydrolysates in vivo. In this work, the effect of simulated GID on three WPC hydrolysates fermented with S. thermophilus strains, as well as on unfermented WPC was studied in terms of protein hydrolysis, biological activities, and peptidomics profiles, respectively. In general, WPC fermentation enhanced protein hydrolysis compared to unfermented WPC. After in vitro GID, WPC fermented with S. thermophilus RBC20 showed the highest antioxidant activity, whereas WPC fermented with strain RBC06 displayed the highest angiotensin-converting enzyme (ACE)- and dipeptidyl peptidase IV (DPP-IV)-inhibitory activities. Peptidomics analysis revealed that all digested WPC samples were highly similar to each other in peptide profiles, and 85% of the 46 identified bioactive peptides were shared among fermented and unfermented samples. However, semi-quantitative analysis linked the observed differences in biological activities among the samples to differences in the amount of bioactive peptides. The anti-hypertensive peptides VPP and IPP, as well as the DPP-IV-inhibitory peptide APFPE, were quantified. In conclusion, WPC fermentation with S. thermophilus positively impacted protein hydrolysis and bioactive peptide release during GID.
Precipitation of Pt, Pd, Rh, and Ru Nanoparticles with Non-Precious Metals from Model and Real Multicomponent Solutions
Authors: Rzelewska-Piekut Martyna , Wolańczyk Zuzanna , Nowicki Marek , Regel-Rosocka Magdalena
Published: July 2023

This article presents studies on the precipitation of Pt, Pd, Rh, and Ru nanoparticles (NPs) from model and real multicomponent solutions using sodium borohydride, ascorbic acid, sodium formate, and formic acid as reducing agents and polyvinylpyrrolidone as a stabilizing agent. As was expected, apart from PGMs, non-precious metals were coprecipitated. The influence of the addition of non-precious metal ions into the feed solution on the precipitation yield and catalytic properties of the obtained precipitates was studied. A strong reducing agent, NaBH4 precipitates Pt, Pd, Rh, Fe and Cu NPs in most cases with an efficiency greater than 80% from three- and four-component model solutions. The morphology of the PGMs nanoparticles was analyzed via SEM-EDS and TEM. The size of a single nanoparticle of each precipitated metal was not larger than 5 nm. The catalytic properties of the obtained nanomaterials were confirmed via the reaction of the reduction of 4-nitrophenol (NPh) to 4-aminophenol (NAf). Nanocatalysts containing Pt/Pd/Fe NPs obtained from a real solution (produced as a result of the leaching of spent automotive catalysts) showed high catalytic activity (86% NPh conversion after 30 min of reaction at pH 11 with 3 mg of the nanocatalyst).
Naringin from Coffee Inhibits Foodborne Aspergillus fumigatus via the NDK Pathway: Evidence from an In Silico Study
Authors: Prasad Shashanka K. , Bhat Smitha S. , Koskowska Olga , Sangta Jiraporn , Ahmad Sheikh F. , Nadeem Ahmed , Sommano Sarana Rose
Published: July 2023

In the tropics, coffee has been one of the most extensively cultivated economic crops, especially Arabica coffee (Coffea arabica L.). The coffee pulp, which includes phytochemicals with a proven antifungal action, is one of the most insufficiently utilized and neglected byproducts of coffee refining. In the current experiment, we carried out in silico screening of the isolated Arabica coffee phytochemicals for antifungal activity against Aspergillus fumigatus: a foodborne fungus of great public health importance. As determined by the molecular docking interactions of the library compounds indicated, the best interactions were found to occur between the nucleoside-diphosphate kinase protein 6XP7 and the test molecules Naringin (−6.771 kcal/mol), followed by Epigallocatechin gallate (−5.687 kcal/mol). Therefore, Naringin was opted for further validation with molecular dynamic simulations. The ligand–protein complex RMSD indicated a fairly stable Naringin-NDK ligand–protein complex throughout the simulation period (2–16 Å). In ADME and gastrointestinal absorbability testing, Naringin was observed to be orally bioavailable, with very low intestinal absorption and a bioavailability score of 0.17. This was further supported by the boiled egg analysis data, which clearly indicated that the GI absorption of the Naringin molecule was obscure. We found that naringin could be harmful only when swallowed at a median lethal dose between 2000 and 5000 mg/kg. In accordance with these findings, the toxicity prediction reports suggested that Naringin, found especially in citrus fruits and tomatoes, is safe for human consumption after further investigation. Overall, Naringin may be an ideal candidate for developing anti-A. fumigatus treatments and food packaging materials. Thus, this study addresses the simultaneous problems of discarded coffee waste management and antifungal resistance to available medications.
Using Glyphosate on Guarana Seedlings in the Amazon
Authors: Konrad Bruna Nogueira Leite , Pinheiro Sara Cruz , Ferreira Carla Coelho , Hoffmann Evandro Konrad , Albertino Sônia Maria Figueiredo
Published: July 2023

The seed yield of guarana (Paullinia cupana H.B.K. var. sorbilis) is affected by weeds. Management is difficult for Amazon farmers and ranchers, owing to the hot and humid climate prevailing in the region, which makes mechanical control inefficient and leads farmers to the decision to use herbicides. Herbicide damage to this species is unknown. The objective of this study was to evaluate glyphosate damage to the development and quality of guarana seedlings. The treatments consisted of glyphosate doses at concentrations of 0, 126, 252, 540, 1080, 2160 and 3240 g a.e. ha−1 and were evaluated for 60 days, in two applications. Analyses were performed for biometrics, seedling development, anthracnose and Injury characteristics. Glyphosate caused symptoms of Injury in all doses applied, but lower doses did not interfere with seedling growth and development. There was a correlation between anthracnose severity and increased glyphosate dose. When applied correctly, glyphosate can be an integrated weed management tool for use in guarana crops.
Datura stramonium Flowers as a Potential Natural Resource of Bioactive Molecules: Identification of Anti-Inflammatory Agents and Molecular Docking Analysis
Authors: Damergi Bilel , Essid Rym , Fares Nadia , Khadraoui Nadine , Ageitos Lucía , Ben Alaya Ameni , Gharbi Dorra , Abid Islem , Rashed Alothman Monerah , Limam Ferid , Rodríguez Jaime , Jiménez Carlos , Tabbene Olfa
Published: July 2023

The present study investigated the antioxidant, antibacterial, antiviral and anti-inflammatory activities of different aerial parts (flowers, leaves and seeds) of Datura stramonium. The plant material was extracted with 80% methanol for about 24 h. The sensitivity to microorganisms analysis was performed by the microdilution technique. Antioxidant tests were performed by scavenging the DPPH and ABTS radicals, and by FRAP assay. Anti-inflammatory activity was evaluated through the inhibition of nitric oxide production in activated macrophage RAW 264.7 cells. Cell viability was assessed with an MTT assay. Results show that the flower extract revealed a powerful antimicrobial capacity against Gram-positive bacteria and strong antioxidant and anti-inflammatory activities. No significant cytotoxicity to activated macrophages was recorded. High resolution electrospray ionization mass spectrometry and nuclear magnetic resonance analysis identified two molecules with important anti-inflammatory effects: 12α-hydroxydaturametelin B and daturametelin B. Molecular docking analysis with both pro-inflammatory agents tumor necrosis factor alpha and interleukin-6 revealed that both compounds showed good binding features with the selected target proteins. Our results suggest that D. stramonium flower is a promising source of compounds with potential antioxidant, antibacterial, and anti-inflammatory activities. Isolated withanolide steroidal lactones from D. stramonium flower extract with promising anti-inflammatory activity have therapeutic potential against inflammatory disorders.
Protein Metalation by Medicinal Gold Compounds: Identification of the Main Features of the Metalation Process through ESI MS Experiments
Authors: Geri Andrea , Massai Lara , Messori Luigi
Published: July 2023

Gold compounds form a new class of promising anticancer agents with innovative modes of action. It is generally believed that anticancer gold compounds, at variance with clinically established platinum drugs, preferentially target proteins rather than nucleic acids. The reactions of several gold compounds with a few model proteins have been systematically explored in recent years through ESI MS measurements to reveal adduct formation and identify the main features of those reactions. Here, we focus our attention on a group of five gold compounds of remarkable medicinal interest, i.e., Auranofin, Au(NHC)Cl, [Au(NHC)2]PF6, Aubipyc, and Auoxo6, and on their reactions with four different biomolecular targets, i.e., the proteins HEWL, hCA I, HSA and the C-terminal dodecapeptide of the enzyme thioredoxin reductase. Complete ESI MS data are available for those reactions due to previous experimental work conducted in our laboratory. From the comparative analysis of the ESI MS reaction profiles, some characteristic trends in the metallodrug-protein reactivity may be identified as detailed below. The main features are described and analyzed in this review. Overall, all these observations are broadly consistent with the concept that cytotoxic gold drugs preferentially target cancer cell proteins, with a remarkable selectivity for the cysteine and selenocysteine proteome. These interactions typically result in severe damage to cancer cell metabolism and profound alterations in the redox state, leading to eventual cancer cell death.
Gram-Scale Total Synthesis of TAB with Cardioprotective Activity and the Structure-Activity Relationship of Its Analogs
Authors: Sun Zhonghao , Sun Zhaocui , Wu Daoshun , Yi Fan , Wu Haifeng , Ma Guoxu , Xu Xudong
Published: July 2023

Traditional Chinese medicine has been proven to be of great significance in cardioprotective effects. Clinopodium chinense (Lamiaceae) has unique advantages in the treatment and prevention of cardiovascular diseases. Tournefolic acid B (TAB) was proven to be a potent component against myocardial ischemia reperfusion injury (MIRI) from Clinopodium chinense (Lamiaceae). This article will attempt to establish a gram-scale synthesis method of TAB and discuss the structure-activity relationship of its analogs. The total synthesis of TAB was completed in 10 steps with an overall yield of 13%. In addition, analogs were synthesized, and their cardioprotective activity was evaluated on the hypoxia/reoxygenation of H9c2 cells. Amidation of the acid position is helpful to the activity, while methylation of phenolic hydroxyl groups greatly decreased the cardioprotective activity. The easily prepared azxepin analogs also showed cardioprotective activity. Most of the clogP values calculated by Molinspiration ranged from 2.5 to 5, which is in accordance with Lipinski’s rule of 5. These findings represent a novel kind of cardioprotective agent that is worthy of further study.
Determination of A1 and A2 β-Casein in Milk Using Characteristic Thermolytic Peptides via Liquid Chromatography-Mass Spectrometry
Authors: Liu Zeyang , Pan Susu , Wu Peize , Li Ming , Liang Dapeng
Published: July 2023

β-casein, a protein in milk and dairy products, has two main variant forms termed as A1 and A2. A1 β-casein may have adverse effects on humans. The fact that there is only one amino acid variation at the 67th position between A1 and A2 β-casein makes it difficult to distinguish between them. In this study, a novel method using characteristic thermolytic peptides is developed for the determination of A1 and A2 β-casein in milk. Firstly, caseins extracted from milk samples are thermolytic digested at 60 °C without any denaturing reagents required for unfolding proteins, which simplifies the sample pretreatment procedure. The characteristic thermolytic peptides (i.e., fragments 66–76 and 59–76 for A1 and A2 β-casein, respectively) selected to specifically distinguish A1 and A2 β-casein only have eleven or eighteen amino acid moieties. Compared with tryptic characteristic peptides with a length of 49 amino acid moieties, these shorter thermolytic characteristic peptides are more suitable for LC-MS analysis. This novel method, with the advantages of high specificity, high sensitivity, and high efficiency, was successfully applied for the analysis of six milk samples collected from a local supermarket. After further investigation, it is found that this method would contribute to the development of A2 dairy products for a company and the quality inspection of A2 dairy products for a government.
Application of a Mixed-Ligand Metal–Organic Framework in Photocatalytic CO2 Reduction, Antibacterial Activity and Dye Adsorption
Authors: Jing Hongwei , Zhao Lun , Song Guanying , Li Jiayu , Wang Ziyun , Han Yue , Wang Zhexin
Published: July 2023

In this paper, a known mixed-ligand MOF {[Co2(TZMB)2(1,4-bib)0.5(H2O)2]·(H2O)2}n (compound 1) was reproduced, and its potential application potential was explored. It was found that compound 1 had high photocatalytic activity for CO2 reduction. After 12 h of illumination, the formation rate of CO, which is the product of CO2 reduction by compound 1, reached 3012.5 μmol/g/h. At the same time, compound 1 has a good antibacterial effect on Staphylococcus aureus (S. aureus), Escherichia coli (E. coli) and Candida albicans (C. albicans), which has potential research value in the medical field. In addition, compound 1 can effectively remove Congo Red from aqueous solutions and achieve the separation of Congo red from mixed dye solutions.
Design, Synthesis and Fungicidal Activity of Ester Derivatives of 4-(3,4-Dichloroisothiazole) 7-Hydroxy Coumarin
Authors: Li Kun , Zhang Yue , Hong Zeyu , Yu Zhenwu , Liu Xiaoyu , Duan Zhihong , Gao Wei , Tang Liangfu , Lv You , Fan Zhijin
Published: July 2023

The development of new fungicides is vital for safeguarding crops and ensuring sustainable agriculture. Building on our previous finding that 4-(3,4-dichloroisothiazole)-7-hydroxy coumarins can be used as fungicidal leads, 44 novel coumarin ester derivatives were designed and synthesized to evaluate whether esterification could enhance their fungicidal activity. In vitro fungicidal bioassays indicated that compound 2ai displayed good activity against Alternaria solani, Botrytis cinereal, Cercospora arachidicola, Physalospora piricola and Sclerotinia sclerotiorum, with an EC50 value ranging from 2.90 to 5.56 μg/mL, comparable to the lead compound 1a, with its EC50 value ranging from 1.92 to 9.37 μg/mL. In vivo bioassays demonstrated that compounds 1a, 2ar and 2bg showed comparable, excellent efficacy against Pseudoperonospora cubensis at a dose of 25 µg/mL. Our research shows that the esterification of 4-(3,4-dichloroisothiazole) 7-hydroxycoumarins results in a fungicidal activity equivalent to that of its lead compounds. Furthermore, our density functional theory (DFT) calculations and 3D-QSAR modeling provide a rational explanation of the structure–activity relationship and offer valuable insights to guide further molecular design.
Synthesis and Characterization of Dimeric Artesunate Glycerol Monocaprylate Conjugate and Formulation of Nanoemulsion Preconcentrate
Authors: Hore Rana , Hasan Nazmul , Mäder Karsten , Kressler Jörg
Published: July 2023

Malaria is one of the major life-threatening health problems worldwide. Artesunate is the most potent antimalarial drug to combat severe malaria. However, development of drug resistance, short plasma half-life, and poor bioavailability limit the efficacy of this drug. Here, we applied the dimerization concept to synthesize dimeric artesunate glycerol monocaprylate conjugate (D-AS-GC) by conjugating artesunate (AS) with glycerol monocaprylate (GC) via esterification reaction. D-AS-GC conjugate, AS, and GC were well characterized by 1H NMR, attached proton test (APT) 13C NMR and 2D NMR spectroscopy. D-AS-GC conjugate was further analyzed by ESI-TOF MS. Finally, a series of nanoemulsion preconcentrate (F1–F6) of D-AS-GC was prepared by mixing different ratios of oil and surfactant/cosurfactant and evaluated after dilution with an aqueous phase. The optimized formulation (F6) exhibits a clear nanoemulsion and the hydrodynamic diameter of the dispersed phase was determined by DLS and DOSY NMR spectroscopy. The morphology of the nanoemulsion droplets of F6 was investigated by AFM, which revealed the formation of tiny nanoemulsion droplets on a hydrophilic mica substrate. Moreover, using a less polar silicon wafer led to the formation of larger droplets with a spherical core shell-like structure. Overall, the rational design of the dimeric artesunate-based nanoemulsion preconcentrate could potentially be used in more efficient drug delivery systems.