bluuebunny/crossref_metadata_2025 huggingface dataset:
Statistical Models Supporting the High-Performance Self-Compacting Concrete (HPSCC) Design Process for High Strength
Authors: Kostrzanowska-Siedlarz Aleksandra , Gołaszewski Jacek
Published: January 2022

The type of test ingredients used for obtaining self-compacting high-performance concrete (HPSCC) has been carefully selected to be universal. For this purpose, an extensive statistical analysis of the obtained results of the literature research was carried out. Then, universal and adapted to the typical range, highly fit statistical models are presented that can support the HPSCC design process for achieving high strength. For this purpose, a broad plan of statistical research was used, namely multivariate selection of sidereal points, which allowed the use of as many as five variable factors at three levels of variability. The sidereal points were equal to the respective minimum and maximum input values. Additionally, based on the analysis of variance (ANOVA) for factorial systems with the interaction of the obtained test results, the significance of the impact of the tested material factors on the compressive strength of the HPSCC tested was determined.
A Novel GaN:C Millimeter-Wave HEMT with AlGaN Electron-Blocking Layer
Authors: Weng You-Chen , Lin Yueh-Chin , Hsu Heng-Tung , Kao Min-Lu , Huang Hsuan-Yao , Ueda Daisuke , Ha Minh-Thien-Huu , Yang Chih-Yi , Maa Jer-Shen , Chang Edward-Yi , Dee Chang-Fu
Published: January 2022

An AlGaN/GaN/Si high electron mobility transistor (HEMT) using a GaN:C buffer with a 2 nm AlGaN electron-blocking layer (EBL) is investigated for the first time for millimeter-wave applications. Compared with the double heterostructure field effect transistor (DHFET), the AlGaN/GaN HEMT with the GaN:C/EBL buffer has a lower vertical leakage, higher thermal stability, and better RF performance. In addition, AlGaN EBL can prevent carbon-related traps from GaN:C and improve electron confinement in 2DEG during high-frequency operation. Finally, a Pout of 31.2 dBm with PAE of 21.7% were measured at 28 GHz at 28 V. These results demonstrated the great potential of HEMTs using GaN:C with AlGaN EBL epitaxy technology for millimeter-wave applications.
Effects of Particle Size Distribution with Efficient Packing on Powder Flowability and Selective Laser Melting Process
Authors: Young Zachary , Qu Minglei , Coday Meelap Michael , Guo Qilin , Hojjatzadeh Seyed Mohammad H. , Escano Luis I. , Fezzaa Kamel , Chen Lianyi
Published: January 2022

The powder bed-based additive manufacturing (AM) process contains uncertainties in the powder spreading process and powder bed quality, leading to problems in repeatability and quality of the additively manufactured parts. This work focuses on identifying the uncertainty induced by particle size distribution (PSD) on powder flowability and the laser melting process, using Ti6Al4V as a model material. The flowability test results show that the effect of PSDs on flowability is not linear, rather the PSDs near dense packing ratios cause significant reductions in flowability (indicated by the increase in the avalanche angle and break energy of the powders measured by a revolution powder analyzer). The effects of PSDs on the selective laser melting (SLM) process are identified by using in-situ high-speed X-ray imaging to observe the melt pool dynamics during the melting process. The results show that the powder beds made of powders with dense packing ratios exhibit larger build height during laser melting. The effects of PSD with efficient packing on powder flowability and selective laser melting process revealed in this work are important for understanding process uncertainties induced by feedstock powders and for designing mitigation approaches.
Effect of Surrounding Solvents on Interfacial Behavior of Gallium-Based Liquid Metal Droplets
Authors: Kim Ji-Hye , Park Ye-Jin , Kim Sooyoung , So Ju-Hee , Koo Hyung-Jun
Published: January 2022

Gallium-based liquid metal (GaLM) alloys have been extensively used in applications ranging from electronics to drug delivery systems. To broaden the understanding and applications of GaLMs, this paper discusses the interfacial behavior of eutectic gallium-indium liquid metal (EGaIn) droplets in various solvents. No significant difference in contact angles of EGaIn is observed regardless of the solvent types. However, the presence or absence of a conical tip on EGaIn droplets after dispensing could indirectly support that the interfacial energy of EGaIn is relatively low in non-polar solvents. Furthermore, in the impact experiments, the EGaIn droplet bounces off in the polar solvents of water and dimethyl sulfoxide (DMSO), whereas it spreads and adheres to the substrate in the non-polar solvents of hexane and benzene. Based on the dimensionless We number, it can be stated that the different impact behavior depending on the solvent types is closely related to the interfacial energy of EGaIn in each solvent. Finally, the contact angles and shapes of EGaIn droplets in aqueous buffer solutions with different pH values (4, 7, and 10) are compared. In the pH 10 buffer solution, the EGaIn droplet forms a spherical shape without the conical tip, representing the high surface energy. This is associated with the dissolution of the “interfacial energy-reducing” surface layer on EGaIn, which is supported by the enhanced concentration of gallium ion released from EGaIn in the buffer solution.
Suspended Metasurface for Broadband High-Efficiency Vortex Beam Generation
Authors: Wang Luyi , Shi Hongyu , Yi Jianjia , Dong Liang , Liu Haiwen , Zhang Anxue , Xu Zhuo
Published: January 2022

Electromagnetic (EM) waves carrying orbital angular momentum (OAM) exhibit phase vortex and amplitude singularity. Broadband OAM generation with high efficiency is highly desired with suggested applications such as broadband imaging and communications. In this paper, suspended metasurface structure achieving low-Q factor is proposed to realize broadband phase control and excellent reflection efficiency. Broadband vortex beam generation with OAM order of 1 and 2 are realized using the proposed suspended structure. Furthermore, by analyzing different metasurface aperture phase distribution schemes, the efficiency of the OAM generator is maximally achieved. The designs are validated by simulation and measurement. The proposed OAM generators work across 4–10 GHz with efficiency higher than 82%. This design provides a route to broadband metasurface realization and high efficiency OAM generation.
An Image-Analysis-Based Method for the Prediction of Recombinant Protein Fiber Tensile Strength
Authors: Bäcklund Fredrik G. , Schmuck Benjamin , Miranda Gisele H. B. , Greco Gabriele , Pugno Nicola M. , Rydén Jesper , Rising Anna
Published: January 2022

Silk fibers derived from the cocoon of silk moths and the wide range of silks produced by spiders exhibit an array of features, such as extraordinary tensile strength, elasticity, and adhesive properties. The functional features and mechanical properties can be derived from the structural composition and organization of the silk fibers. Artificial recombinant protein fibers based on engineered spider silk proteins have been successfully made previously and represent a promising way towards the large-scale production of fibers with predesigned features. However, for the production and use of protein fibers, there is a need for reliable objective quality control procedures that could be automated and that do not destroy the fibers in the process. Furthermore, there is still a lack of understanding the specifics of how the structural composition and organization relate to the ultimate function of silk-like fibers. In this study, we develop a new method for the categorization of protein fibers that enabled a highly accurate prediction of fiber tensile strength. Based on the use of a common light microscope equipped with polarizers together with image analysis for the precise determination of fiber morphology and optical properties, this represents an easy-to-use, objective non-destructive quality control process for protein fiber manufacturing and provides further insights into the link between the supramolecular organization and mechanical functionality of protein fibers.
Design, Development and Control of a Forming Robot for an Internally Fixed Titanium Alloy Strip
Authors: Zhang Jiaji , Shi Binjun , Feng Guang , Zuo Guokun , Liang Ye
Published: January 2022

Medical titanium alloys are widely used in surgery, orthopedics, stomatology and other medical specialties because of their good biocompatibility. In traditional rigid internal fixation applications, titanium alloy strips or plates must be bent to fit the supported surface. Currently, the common practice is to bend titanium alloy bars in three degrees of freedom manually. However, it is difficult to ensure bending accuracy and achieve the best shape. In this study, we introduce a forming robot for internally fixed titanium alloy strips (FRIFTAS). The forming robot is a device that automatically reshapes the titanium strip with various specifications according to medical needs. Here, the design of mechanical and electrical systems and the development of the overall system are described to illustrate how a FRIFTAS is structured and designed. Three bending experimental tests are conducted. In the bending experiments, the robot bends an initial strip on the roll, pitch and yaw directions independently. The results show that the robot can bend a section of the alloy strip at the desired angle. Then, an overall reshaped titanium alloy strip experiment is discussed. The results show that the titanium-strip-forming robot is capable of automatically reshaping an internally fixed titanium strip. The proposed robot can perform the numerically controlled bending of the medical titanium strip according to physicians’ personalized requirements for surgery to improve the accuracy and efficiency of preoperative preparation and provide a better postoperative appearance and more effectively functioning treatment scheme for patients.
Geometric Compatibility Indexes in a Local AHP-Group Decision Making Context: A Framework for Reducing Incompatibility
Authors: Aguarón Juan , Escobar María Teresa , Moreno-Jiménez José María , Turón Alberto
Published: January 2022

This paper deals with the measurement of the compatibility in a local AHP-Group Decision Making context. Compatibility between two individuals or decision makers is understood as the property that reflects the proximity between their positions or preferences, usually measured by a distance function. An acceptable level of incompatibility between the individual and the group positions will favour the acceptance of the collective position by the individuals. To facilitate the compatibility measurement, the paper utilises four indicators based on log quadratic distances between matrices or vectors which can be employed in accordance with the information that is available from the individual decision makers and from the group. The indicators make it possible to measure compatibility in decision problems, regardless of how the collective position and the priorities are obtained. The paper also presents a theoretical framework and a general, semi-automatic procedure for reducing the incompatibility measured by the four indicators. Using relative variations, the procedure identifies and slightly modifies the judgement of the collective matrix that further improves the indicator. This process is undertaken without modifying the initial information provided by the individuals. A numerical example illustrates the application of the theoretical framework and the procedure.
Forecasting the Passage Time of the Queue of Highly Automated Vehicles Based on Neural Networks in the Services of Cooperative Intelligent Transport Systems
Authors: Shepelev Vladimir , Zhankaziev Sultan , Aliukov Sergey , Varkentin Vitalii , Marusin Aleksandr , Marusin Alexey , Gritsenko Aleksandr
Published: January 2022

This study addresses the problem of non-stop passage by vehicles at intersections based on special processing of data from a road camera or video detector. The basic task in this article is formulated as a forecast for the release time of a controlled intersection by non-group vehicles, taking into account their classification and determining their number in the queue. To solve the problem posed, the YOLOv3 neural network and the modified SORT object tracker were used. The work uses a heuristic region-based algorithm in classifying and measuring the parameters of the queue of vehicles. On the basis of fuzzy logic methods, a model for predicting the passage time of a queue of vehicles at controlled intersections was developed and refined. The elaborated technique allows one to reduce the forced number of stops at controlled intersections of connected vehicles by choosing the optimal speed mode. The transmission of information on the predicted delay time at a controlled intersection is locally possible due to the V2X communication of the road controller equipment, and in the horizontally scaled mode due to the interaction of HAV—the Digital Road Model.
Design, Semisynthesis, Insecticidal and Antibacterial Activities of a Series of Marine-Derived Geodin Derivatives and Their Preliminary Structure–Activity Relationships
Authors: Chao Rong , Said Gulab , Zhang Qun , Qi Yue-Xuan , Hu Jie , Zheng Cai-Juan , Zheng Ji-Yong , Shao Chang-Lun , Chen Guang-Ying , Wei Mei-Yan
Published: January 2022

To enhance the biological activity of the natural product geodin (1), isolated from the marine-derived fungus Aspergillus sp., a series of new ether derivatives (2–37) was designed and semisynthesized using a high-yielding one-step reaction. In addition, the insecticidal and antibacterial activities of all geodin congeners were evaluated systematically. Most of these derivatives showed better insecticidal activities against Helicoverpa armigera Hübner than 1. In particular, 15 showed potent insecticidal activity with an IC50 value of 89 μM, comparable to the positive control azadirachtin (IC50 = 70 μM). Additionally, 5, 12, 13, 16, 30 and 33 showed strong antibacterial activity against Staphylococcus aureus and Aeromonas salmonicida with MIC values in the range of 1.15–4.93 μM. The preliminary structure–activity relationships indicated that the introduction of halogenated benzyl especially fluorobenzyl, into 1 and substitution of 4-OH could be key factors in increasing the insecticidal and antibacterial activities of geodin.
Low-Temperature Hydrophilic Pervaporation of Lactic Acid Esterification Reaction Media
Authors: González Díaz Elena , Álvarez-García Sonia , Luque Susana , Álvarez José R.
Published: January 2022

Esterification reactions show a limited conversion due to the presence of water, which favors the opposite reaction. The removal of water from the reaction mixture increases the production of the ester. Pervaporation is an effective dehydration technique, usually applied to binary mixtures. The effect on pervaporation of a reactive multicomponent system involving water, ethanol, ethyl lactate and lactic acid with high acid concentration (13.5 wt. %) at relatively low temperatures (40–80 °C) was studied. Three hydrophilic membranes mainly fabricated for dehydration purposes from Sulzer Chemtech were used, i.e., PERVAP™ 3100, PERVAP™ 2216 and PERVAP™ 1131. The last one revealed as the most suitable for the application and it was further characterized with binary and ternary solutions. The membrane showed high affinity for the lactic acid. The acid permeation played a key role in the water/ethanol and water/ethyl lactate selectivity. Lactic acid permeates and crystalizes in the permeate side of the membrane at very low water concentration (below 2 wt. %), causing a drop in flux and membrane selectivity. Ethyl lactate is responsible of the loss of integrity of the membranes.
A Checklist for Reproducible Computational Analysis in Clinical Metabolomics Research
Authors: Du Xinsong , Aristizabal-Henao Juan J. , Garrett Timothy J. , Brochhausen Mathias , Hogan William R. , Lemas Dominick J.
Published: January 2022

Clinical metabolomics emerged as a novel approach for biomarker discovery with the translational potential to guide next-generation therapeutics and precision health interventions. However, reproducibility in clinical research employing metabolomics data is challenging. Checklists are a helpful tool for promoting reproducible research. Existing checklists that promote reproducible metabolomics research primarily focused on metadata and may not be sufficient to ensure reproducible metabolomics data processing. This paper provides a checklist including actions that need to be taken by researchers to make computational steps reproducible for clinical metabolomics studies. We developed an eight-item checklist that includes criteria related to reusable data sharing and reproducible computational workflow development. We also provided recommended tools and resources to complete each item, as well as a GitHub project template to guide the process. The checklist is concise and easy to follow. Studies that follow this checklist and use recommended resources may facilitate other researchers to reproduce metabolomics results easily and efficiently.
Designing Sensitivity: A Comparative Analysis of Microelectrode Topologies for Electrochemical Oxygen Sensing in Biomedical Applications
Authors: Bacheschi Daniel T. , Strittmatter Evan Z. , Sawtelle Sonya , Nami Mohsen
Published: January 2022

The monitoring of dissolved oxygen is a key parameter in many fields, namely the treatment and monitoring of various cerebral traumas. Leveraging existing manufacturing techniques, electrochemical sensors hold the potential for compact, simple, and scalable dissolved oxygen sensors. Past studies have focused on the general design of such sensors, but a comparative study on the impact of microelectrode geometries for cerebral applications has been forthcoming. We present here the results of a characterization study conducted across solid-state sensors with varying microelectrode geometries. The electrode structures were covered with a Nafion membrane and included variations of the classic interdigitated microelectrode array in addition to a circular microelectrode array variation. Voltage sweeps were conducted while monitoring the devices’ sensing current responses across a 50.3 mmHg change in dissolved oxygen within a deionized aqueous solution. Half of the devices were identified as ultramicroelectrode designs that presented a greater dependence on electrode spacing and topology. The ultramicroelectrode-style (UME) interdigitated electrode (IDE) topology presented the greatest signal response at 25.24 nA/mmHg, an approximate eight-fold improvement in sensitivity from a non-UME variation with a sensitivity of 2.98 nA/mmHg. The design presented a linear response from 8.3 mmHg to 58.6 mmHg with r2 = 0.9743. The sensitivity improvement was attributed to the ultramicroelectrode structure’s amplifying diffusive feedback, which was enabled by the IDE topology and short electrode spacings.
Diffusion-Induced Stress in Commercial Graphite Electrodes during Multiple Cycles Measured by an In Situ Method
Authors: Li Dawei , Zhu Guanglin , Liu Huibing , Wang Yikai
Published: January 2022

The cyclic stress evolution induced by repeated volume variation causes mechanical degradation and damage to electrodes, resulting in reduced performance and lifetime of LIBs. To probe the electro-chemo-mechanical coupled degradation, we conducted in situ measurements of Young’s modulus and stress evolution of commercial used graphite electrodes during multiple cycles. A bilayer graphite electrode cantilever is cycled galvanostatically in a custom cell, while the bending deformation of the bilayer electrode is captured by a CCD optical system. Combined with a mechanical model, Li-concentration-dependent elastic modulus and stress are derived from the curvature of the cantilever electrode. The results show that modulus, stress and strain all increase with the lithium concentration, and the stress transforms from compression to tension in the thickness direction. During multiple cycles, the modulus decreases with an increase in the cycle number at the same concentration. The maximum stress/strain of each cycle is maintained at almost same level, exhibiting a threshold that results from the co-interaction of concentration and damage. These findings provide basic information for modeling the degradation of LIBs.
Inoculation with Plant Growth-Promoting Bacteria to Reduce Phosphate Fertilization Requirement and Enhance Technological Quality and Yield of Sugarcane
Authors: Rosa Poliana Aparecida Leonel , Galindo Fernando Shintate , Oliveira Carlos Eduardo da Silva , Jalal Arshad , Mortinho Emariane Satin , Fernandes Guilherme Carlos , Marega Evelyn Maria Rocha , Buzetti Salatiér , Teixeira Filho Marcelo Carvalho Minhoto
Published: January 2022

Phosphorus (P) is a critical nutrient for high sugarcane yields throughout its cultivation cycles, however, a higher amount of P becomes rapidly unavailable to plants due to its adsorption to soil colloids. Some plant growth-promoting bacteria (PGPBs) may be able to enhance P availability to plants and produce phytohormones that contribute to crop development, quality, and yield. Thus, this study aimed to evaluate leaf concentrations of nitrogen (N) and P, yield, and technological quality of sugarcane as a function of different levels of phosphate fertilization associated with inoculation of PGPBs. The experiment was carried out at Ilha Solteira, São Paulo—Brazil. The experimental design was randomized blocks with three replications, consisting of five phosphorus rates (0, 25, 50, 75, and 100% of the recommended P2O5 rate) and eight inoculations, involving three species of PGPBs (Azospirillum brasilense, Bacillus subtilis, and Pseudomonas fluorescens) which were applied combined or in a single application into the planting furrow of RB92579 sugarcane variety. The inoculation of B. subtilis and P. fluorescens provided a higher concentration of leaf P in sugarcane. The P2O5 rates combined with inoculation of bacteria alter technological variables and stalk yield of sugarcane. The excess and lack of phosphate fertilizer is harmful to sugarcane cultivation, regardless of the use of growth-promoting bacteria. We recommend the inoculation with A. brasilense + B. subtilis associated with 45 kg ha−1 of P2O5 aiming at greater stalk yield. This treatment also increases sugar yield, resulting in a savings of 75% of the recommended P2O5 rate, thus being a more efficient and sustainable alternative for reducing sugarcane crop production costs.
Diversity of Volatile Compounds in Ten Varieties of Zingiberaceae
Authors: Peng Weiyao , Li Ping , Ling Ruimei , Wang Zhenzhen , Feng Xianhui , Liu Ju , Yang Quan , Yan Jian
Published: January 2022

Zingiberaceae plants are distributed in the tropical and subtropical regions of the world, being used in many famous medicinal materials. Meanwhile, some Zingiberaceae plants are important horticultural flowers because they are green all year round and have special aromas. To conduct an extensive investigation of the resources of Zingiberaceae plants, the volatile compounds of ten species of Zingiberaceae were extracted and analyzed by GC–MS, including Costus comosus var. bakeri (K.Schum.) Maas, Curcuma rubescens Roxb., Curcuma aeruginosa Roxb., Curcuma attenuata Wall., Hongfengshou, Hedychium coronarium Koeng, Zingiber zerumbet (L.) Smith, Hedychium brevicaule D. Fang, Alpinia oxyphylla Miq., and Alpinia pumila Hook.F. A total of 162 compounds were identified, and most of those identified were monoterpenes and sesquiterpenes. (E)-labda-8(17),12-diene-15,16-dial, n-hexadecanoic acid, 4-methoxy-6-phenethyl-2H-pyran-2-one, and L-β-pinene were found in high concentrations among the plants. These ten species of Zingiberaceae contained some of the same volatiles, but their contents were different. Pharmacological effects may be associated with the diversity of volatiles in these ten plants.
Chemical Composition and Insecticidal Activities of Essential Oils against the Pulse Beetle
Authors: Jayaram C. S. , Chauhan Nandita , Dolma Shudh Kirti , Reddy S. G. Eswara
Published: January 2022

Pulse beetles, Callosobruchus chinensis and Callosobruchus maculatus, are essential pests of cowpea, gram, soybean and pulses. Application of synthetic insecticides against the pulse beetle has led to insect resistance; insecticide residues on grains affect human health and the environment. Essential oils (EOs) are the best alternatives to synthetics due to their safety to the environment and health. The main objective of the investigation was to study the chemical composition and insecticidal activities of EOs, their combinations and compounds against the pulse beetle under laboratory. Neo-isomenthol, carvone and β-ocimene are the significant components of tested oils using GC-MS. Mentha spicata showed promising fumigant toxicity against C. chinensis (LC50 = 0.94 µL/mL) and was followed by M. piperita (LC50 = 0.98 µL/mL), whereas M. piperita (LC50 = 0.92 µL/mL) against C. maculatus. A combination of Tagetes minuta + M. piperita showed more toxicity against C. chinensis after 48 h (LC50 = 0.87 µL/mL) than T. minuta + M. spicata (LC50 = 1.07 µL/mL). L-Carvone showed fumigant toxicity against C. chinensis after 48 h (LC50 = 1.19 µL/mL). Binary mixtures of T. minuta +M. piperita and M. spicata showed promising toxicity and synergistic activity. EOs also exhibited repellence and ovipositional inhibition. The application of M. piperita can be recommended for the control of the pulse beetle.
Approach for the Design of Covalent Protein Kinase Inhibitors via Focused Deep Generative Modeling
Authors: Yoshimori Atsushi , Miljković Filip , Bajorath Jürgen
Published: January 2022

Deep machine learning is expanding the conceptual framework and capacity of computational compound design, enabling new applications through generative modeling. We have explored the systematic design of covalent protein kinase inhibitors by learning from kinome-relevant chemical space, followed by focusing on an exemplary kinase of interest. Covalent inhibitors experience a renaissance in drug discovery, especially for targeting protein kinases. However, computational design of this class of inhibitors has thus far only been little investigated. To this end, we have devised a computational approach combining fragment-based design and deep generative modeling augmented by three-dimensional pharmacophore screening. This approach is thought to be particularly relevant for medicinal chemistry applications because it combines knowledge-based elements with deep learning and is chemically intuitive. As an exemplary application, we report for Bruton’s tyrosine kinase (BTK), a major drug target for the treatment of inflammatory diseases and leukemia, the generation of novel candidate inhibitors with a specific chemically reactive group for covalent modification, requiring only little target-specific compound information to guide the design efforts. Newly generated compounds include known inhibitors and characteristic substructures and many novel candidates, thus lending credence to the computational approach, which is readily applicable to other targets.
Evaluation of Total Phenolic and Flavonoid Contents, Antibacterial and Antibiofilm Activities of Hungarian Propolis Ethanolic Extract against Staphylococcus aureus
Authors: Bouchelaghem Sarra , Das Sourav , Naorem Romen Singh , Czuni Lilla , Papp Gábor , Kocsis Marianna
Published: January 2022

Propolis is a natural bee product that is widely used in folk medicine. This study aimed to evaluate the antimicrobial and antibiofilm activities of ethanolic extract of propolis (EEP) on methicillin-resistant and sensitive Staphylococcus aureus (MRSA and MSSA). Propolis samples were collected from six regions in Hungary. The minimum inhibitory concentrations (MIC) values and the interaction of EEP-antibiotics were evaluated by the broth microdilution and the chequerboard broth microdilution methods, respectively. The effect of EEP on biofilm formation and eradication was estimated by crystal violet assay. Resazurin/propidium iodide dyes were applied for simultaneous quantification of cellular metabolic activities and dead cells in mature biofilms. The EEP1 sample showed the highest phenolic and flavonoid contents. The EEP1 successfully prevented the growth of planktonic cells of S. aureus (MIC value = 50 µg/mL). Synergistic interactions were shown after the co-exposition to EEP1 and vancomycin at 108 CFU/mL. The EEP1 effectively inhibited the biofilm formation and caused significant degradation of mature biofilms (50–200 µg/mL), as a consequence of the considerable decrement of metabolic activity. The EEP acts effectively as an antimicrobial and antibiofilm agent on S. aureus. Moreover, the simultaneous application of EEP and vancomycin could enhance their effect against MRSA infection.
SnS2 Nanoparticles and Thin Film for Application as an Adsorbent and Photovoltaic Buffer
Authors: Gedi Sreedevi , Alhammadi Salh , Noh Jihyeon , Minnam Reddy Vasudeva Reddy , Park Hyeonwook , Rabie Abdelrahman Mohamed , Shim Jae-Jin , Kang Dohyung , Kim Woo Kyoung
Published: January 2022

Energy consumption and environmental pollution are major issues faced by the world. The present study introduces a single solution using SnS2 for these two major global problems. SnS2 nanoparticles and thin films were explored as an adsorbent to remove organic toxic materials (Rhodamine B (RhB)) from water and an alternative to the toxic cadmium sulfide (CdS) buffer for thin-film solar cells, respectively. Primary characterization tools such as X-ray photoelectron spectroscopy (XPS), Raman, X-ray diffraction (XRD), and UV-Vis-NIR spectroscopy were used to analyze the SnS2 nanoparticles and thin films. At a reaction time of 180 min, 0.4 g/L of SnS2 nanoparticles showed the highest adsorption capacity of 85% for RhB (10 ppm), indicating that SnS2 is an appropriate adsorbent. The fabricated Cu(In,Ga)Se2 (CIGS) device with SnS2 as a buffer showed a conversion efficiency (~5.1%) close to that (~7.5%) of a device fabricated with the conventional CdS buffer, suggesting that SnS2 has potential as an alternative buffer.
Clinical Impact of Nutritional Status and Sarcopenia in Pediatric Patients with Bone and Soft Tissue Sarcomas: A Pilot Retrospective Study (SarcoPed)
Authors: Romano Alberto , Triarico Silvia , Rinninella Emanuele , Natale Luigi , Brizi Maria Gabriella , Cintoni Marco , Raoul Pauline , Maurizi Palma , Attinà Giorgio , Mastrangelo Stefano , Gasbarrini Antonio , Mele Maria Cristina , Ruggiero Antonio
Published: January 2022

Background: We evaluated nutritional and sarcopenia status and their clinical impact in pediatric patients affected by bone and soft tissue sarcomas. Methods: Body mass index (BMI), prognostic nutritional index (PNI), and total psoas muscle area (tPMA) at diagnosis and after 12 months were analyzed. tPMA was measured from single cross-sectional computed tomography (CT) images at L4–L5. Age-specific and sex-specific tPMA Z-scores were retrieved from an online calculator. Results: A total of 21 patients were identified between February 2013 and December 2018. Twelve patients (57.1%) experienced sarcopenia at diagnosis, although not statistically associated with overall survival (OS) (p = 0.09). BMI Z-score, PNI, and tPMA Z-score significantly decreased between diagnosis and after 12 months of treatment (p < 0.05). Univariate analysis showed significant associations between poor OS and the presence of metastasis (p = 0.008), the absence of surgery (p = 0.005), PNI decrease (p = 0.027), and the reduction in tPMA > 25% (p = 0.042) over the 12 months. Conclusions: Sarcopenia affects more than half of the patients at diagnosis. Decreased PNI during 12 months of treatment has significant predictive value for OS. The role of tPMA derived from CT scan among pediatric patients with sarcoma should be investigated in further prospective and larger studies.
A Specific High-Protein Weight Loss Program Does Not Impair Renal Function in Patients Who Are Overweight/Obese
Authors: Truche Anne-Sophie , Bailly Sébastien , Fabre Odile , Legrand Rémy , Zaoui Philippe
Published: January 2022

Although high-protein diets appear to be the most efficient way to lose weight, concerns may arise about their innocuity on renal function. The objective of this study is to assess the impact of a weight loss program on renal function. A multicentric cohort-based study was performed using the RNPC© French national weight loss program. Patients with at least two creatinine measurements at the beginning of the program and at the end of the weight loss phase between 1 January 2016 and 1 July 2021 were included. Renal function was assessed by Modification of Diet in Renal Disease (MDRD) equation-based estimated glomerular filtration rate (eGFR). From 4394 patients with two creatinine measurements included, 1579 (35.9%) had normal eGFR (MDRD 90–120 mL/min/1.73 m2), 210 (4.8%) had hyperfiltration (MDRD > 120 mL/min/1.73 m2), 2383 (54.2%) had chronic kidney disease (CKD) grade 2 (MDRD 60–90 mL/min/1.73 m2), and 221 (5.0%) had CKD grade 3 (MDRD 30–60 mL/min/1.73 m2). Multivariable analyses showed no eGFR change for patients in initial CKD grade 2, normal eGFR and hyperfiltration, and a significant increase in CKD grade 3. The RNPC© program avoids renal function impairment during the two first phases, regardless of the initial eGFR.
Adansonia digitata L. (Baobab Fruit) Effect on Postprandial Glycemia in Healthy Adults: A Randomized Controlled Trial
Authors: Rita Keyla , Bernardo Maria Alexandra , Silva Maria Leonor , Brito José , Mesquita Maria Fernanda , Pintão Ana Maria , Moncada Margarida
Published: January 2022

Baobab fruits have been traditionally used in Africa due to their therapeutic properties attributed to their high polyphenol content. The aim of the study was to investigate the effect of baobab fruit on postprandial glycaemia in healthy adults and to measure its bioactive compounds and antioxidant activity. The study (NCT05140629) was conducted on 31 healthy subjects. The participants were randomly allocated in the control group (oral glucose tolerance test (OGTT); n = 16) and in the intervention group (OGTT, followed by administration of 250 mL baobab aqueous extract (BAE); n = 15). Total phenols, proanthocyanins, hydrolyzable tannins, and antioxidant activity (FRAP, DPPH, ABTS, and inhibition of O2•− and NO• methods) were quantified. Repeated measures ANOVA of mixed type and independent samples t-test were used. Glycemia incremental area under the curve (p = 0.012) and glucose maximum concentration (p = 0.029) was significantly lower in the intervention group compared to the control group. The BAE revealed high total contents of phenols, proanthocyanins, and hydrolyzable tannins, as well as a strong capacity to scavenge superoxide anions and nitric oxide radicals and a high antioxidant activity. In conclusion, this study encourages the use of this food component as a promising source of natural antioxidants and a hypoglycemic agent under glucose load acute conditions.
Coumarin Derivatives Exert Anti-Lung Cancer Activity by Inhibition of Epithelial–Mesenchymal Transition and Migration in A549 Cells
Authors: de Araújo Rodrigo Santos Aquino , Carmo Julianderson de Oliveira dos Santos , de Omena Silva Simone Lara , Costa da Silva Camila Radelley Azevedo , Souza Tayhana Priscila Medeiros , Mélo Natália Barbosa de , Bourguignon Jean-Jacques , Schmitt Martine , Aquino Thiago Mendonça de , Rodarte Renato Santos , Moura Ricardo Olímpio de , Barbosa Filho José Maria , Barreto Emiliano , Mendonça-Junior Francisco Jaime Bezerra
Published: January 2022

A series of coumarin derivatives and isosteres were synthesized from the reaction of triflic intermediates with phenylboronic acids, terminal alkynes, and organozinc compounds through palladium-catalyzed cross-coupling reactions. The in vitro cytotoxic effect of the compounds was evaluated against two non-small cell lung carcinoma (NSCLC) cell lines (A-549 and H2170) and a normal cell line (NIH-3T3) using cisplatin as a reference drug. Additionally, the effects of the most promising coumarin derivative (9f) in reversing the epithelial-to-mesenchymal transition (EMT) in IL-1β-stimulated A549 cells and in inhibiting the EMT-associated migratory ability in A549 cells were also evaluated. 9f had the greatest cytotoxic effect (CC50 = 7.1 ± 0.8 and 3.3 ± 0.5 μM, respectively against A549 and H2170 cells) and CC50 value of 25.8 µM for NIH-3T3 cells. 9f inhibited the IL-1β-induced EMT in epithelial cells by inhibiting the F-actin reorganization, attenuating changes in the actin cytoskeleton reorganization, and downregulating vimentin in A549 cells stimulated by IL-1β. Treatment of A549 cells with 9f at 7 µM for 24 h significantly reduced the migration of IL-1β-stimulated cells, which is a phenomenon confirmed by qualitative assessment of the wound closure. Taken together, our findings suggest that coumarin derivatives, especially compound 9f, may become a promising candidate for lung cancer therapy, especially in lung cancer promoted by NSCLC cell lines.
Identification of Cyclic Sulfonamides with an N-Arylacetamide Group as α-Glucosidase and α-Amylase Inhibitors: Biological Evaluation and Molecular Modeling
Authors: Saddique Furqan Ahmad , Ahmad Matloob , Ashfaq Usman Ali , Muddassar Muhammad , Sultan Sadia , Zaki Magdi E. A.
Published: January 2022

Diabetes mellitus (DM), a complicated metabolic disorder, is due to insensitivity to insulin function or reduction in insulin secretion, which results in postprandial hyperglycemia. α-Glucosidase inhibitors (AGIs) and α-amylase inhibitors (AAIs) block the function of digestive enzymes, which delays the carbohydrate hydrolysis process and ultimately helps to control the postprandial hyperglycemia. Diversified 2-(3-(3-methoxybenzoyl)-4-hydroxy-1,1-dioxido-2H-benzo[e][1,2]thiazin-2-yl)-N-arylacetamides were synthesized and evaluated for their in vitro inhibitory potential against α-glucosidase and α-amylase enzymes. The compounds with chloro, bromo and methyl substituents demonstrated good inhibition of α-glucosidase enzymes having IC50 values in the range of 25.88–46.25 μM, which are less than the standard drug, acarbose (IC50 = 58.8 μM). Similarly, some derivatives having chloro, bromo and nitro substituents were observed potent inhibitors of α-amylase enzyme, with IC50 values of 7.52 to 15.06 μM, lower than acarbose (IC50 = 17.0 μM). In addition, the most potent compound, N-(4-bromophenyl)-2-(4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxido-2H-benzo[e][1,2]thiazin-2-yl)acetamide (12i), was found to be a non-competitive and competitive inhibitor of α-glucosidase and α-amylase enzymes, respectively, during kinetic studies. The molecular docking studies provided the binding modes of active compounds and the molecular dynamics simulation studies of compound 12i in complex with α-amylase also showed that the compound is binding in a fashion similar to that predicted by molecular docking studies.
Molecular Engineering of Peptide–Drug Conjugates for Therapeutics
Authors: Fang Yu , Wang Huaimin
Published: January 2022

In recent years, hundreds of novel small molecular drugs used for different treatments have been studied in the three phases of clinical trials around the world. However, less than 10% of them are eventually used due to diverse problems. Even some traditional drugs that have been approved by the Food and Drug Administration (FDA) have faced similar dilemmas. For instance, many drugs have poor water solubility, are easily hydrolyzed, or possess undesirable toxicity, while a variety of cancer cells develop drug resistance (DR) or multiple drug resistance (MDR) towards chemotherapeutic agents after long-term therapy. In order to improve the efficacy and efficiency of drugs, research has been directed forward towards the creation of assemblies of peptide–drug conjugates (PDCs) which have proven to possess wide potential for overcoming such complications based on their excellent biocompatibility, controllable biodegradability, site-selective targeting, and comparably low cytotoxicity. In this review, we focus on the recent developments and advances made in the creation of self-assembled nanostructures of PDCs for cancer therapy, on the chemical and physical properties of such drugs and peptides, and how they are arranged together to form diverse supramolecular nanostructures. Additionally, we cover certain mechanisms regarding how peptides or their derivatives enhance the efficiency and efficacy of those selected drugs and provide a brief discussion regarding the perspectives and remaining challenges in this intriguing field.
Precise Dosing of Pramipexole for Low-Dosed Filament Production by Hot Melt Extrusion Applying Various Feeding Methods
Authors: Chamberlain Rebecca , Windolf Hellen , Geissler Simon , Quodbach Julian , Breitkreutz Jörg
Published: January 2022

The aim of this research was the production of low-dosed filaments via hot-melt extrusion (HME) with the model drug pramipexole for the treatment of Parkinson’s disease. The active pharmaceutical ingredient (API) and one of the polymers polyvinyl alcohol (PVA) or basic butylated methacrylate copolymer (bPMMA) were fed by various dosing techniques with the aim of achieving the smallest deviation (RSD) from the target concentration of 0.1% (w/w) pramipexole. It was found that deviation from target pramipexole concentration occurred due to degradation products in bPMMA formulations. Additionally, material temperature above 120 °C led to the formation of the anhydrous form of pramipexole within the extruded filaments and need to be considered in the calculation of the recovered API. This study clearly shows that even if equilibrium state of the extrusion parameters was reached, equilibrium condition for drug content was reached relatively late in the process. In addition, the RSD calculated by the Stange–Poole equation was proposed by us to predict the final content uniformity considering the sample size of the analyzed filament. The calculated RSD, depending on sample size and drug load, can serve as upper and lower limits of variation from target concentration and can be used to evaluate the deviations of drug content in equilibrium conditions of the HME process. The lowest deviations from target concentration in equilibrium condition for drug content were obtained in filaments extruded from previously prepared granule mixtures (RSD = 6.00%, acceptance value = 12.2). These promising results can be transferred to other API–excipient combinations to produce low-dosed filaments, which can be used for, e.g., fused filament 3D printing. The introduced calculation of the RSD by Stange–Poole equation can be used for precise determination of the homogeneity of an extruded batch.
Stability Improvement of Perovskite Solar Cells by the Moisture-Resistant PMMA:Spiro-OMeTAD Hole Transport Layer
Authors: Ma Shaohua , Pang Shangzheng , Dong Hang , Xie Xiaoping , Liu Gang , Dong Peng , Liu Dawei , Zhu Weidong , Xi He , Chen Dazheng , Zhang Chunfu , Hao Yue
Published: January 2022

Perovskite solar cells (PSCs) based on the 2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenylamine)-9,9′-spirobifluorene (spiro-OMeTAD) hole transport layer have exhibited leading device performance. However, the instability caused by this organic function layer is a very important limiting factor to the further development of PSCs. In this work, the spiro-OMeTAD is doped with polymethyl methacrylate (PMMA), which is further used as the hole transport layer to improve the device stability. It is shown that the PMMA can effectively improve the moisture and oxygen resistance of spiro-OMeTAD, which leads to improved device stability by separating the perovskite layer from moisture and oxygen. The device efficiency can maintain 77% of the original value for PSCs with the PMMA-doped spiro-OMeTAD hole transport layer, under a natural air environment (RH = 40%) for more than 80 days. The results show that the moisture- and oxygen-resistant PMMA:spiro-OMeTAD hole transport layer is effective at improving the device performance.
DNA/Magnetic Nanoparticles Composite to Attenuate Glass Surface Nanotopography for Enhanced Mesenchymal Stem Cell Differentiation
Authors: Ishmukhametov Ilnur , Batasheva Svetlana , Rozhina Elvira , Akhatova Farida , Mingaleeva Rimma , Rozhin Artem , Fakhrullin Rawil
Published: January 2022

Mesenchymal stem cells (MSCs) have extensive pluripotent potential to differentiate into various cell types, and thus they are an important tool for regenerative medicine and biomedical research. In this work, the differentiation of hTERT-transduced adipose-derived MSCs (hMSCs) into chondrocytes, adipocytes and osteoblasts on substrates with nanotopography generated by magnetic iron oxide nanoparticles (MNPs) and DNA was investigated. Citrate-stabilized MNPs were synthesized by the chemical co-precipitation method and sized around 10 nm according to microscopy studies. It was shown that MNPs@DNA coatings induced chondrogenesis and osteogenesis in hTERT-transduced MSCs. The cells had normal morphology and distribution of actin filaments. An increase in the concentration of magnetic nanoparticles resulted in a higher surface roughness and reduced the adhesion of cells to the substrate. A glass substrate modified with magnetic nanoparticles and DNA induced active chondrogenesis of hTERT-transduced MSC in a twice-diluted differentiation-inducing growth medium, suggesting the possible use of nanostructured MNPs@DNA coatings to obtain differentiated cells at a reduced level of growth factors.
Analysis of Mechanical Property Degradation of Outdoor Weather-Exposed Polymers
Authors: Kim Sunwoo , Lee Youngmin , Kim Changhwan , Choi Sunwoong
Published: January 2022

It is well known that many polymers are prone to outdoor weathering degradation. Therefore, to ensure the safety and integrity of the structural parts and components made from polymers for outdoor use, their weather-affected mechanical behavior needs to be better understood. In this study, the critical mechanical property for degradation was identified and modeled into a usable format for use in the virtual analysis. To achieve this, an extensive 4-year outdoor weathering test was carried out on polycarbonate (PC), polypropylene (PP), polybutylene terephthalate (PBT), and high-density polyethylene (HDPE) polymers up to a total UV irradiation of 1020 MJ/m2 at a 315~400 nm wavelength. In addition, tensile tests were performed by collecting five specimens for each material at every 60 MJ/m2 interval. With the identification of fracture strain retention as the key performance index for mechanical property degradation, a fracture strain retention function was developed using logistic regression analysis for each polymer. In addition, a method for using fracture strain retention function to establish a mechanical property degradation dataset was proposed and successfully tested by performing weathering FE analysis on the virtual automotive collision behavior of a PC part under intermittent UV irradiation doses. This work showed the potential of using fracture strain retention function to predict the performance of polymeric components undergoing mechanical property degradation upon outdoor weathering.