bluuebunny/crossref_metadata_2025 huggingface dataset:
Different Types of Particle Effects in Creep Tests of CoCrFeNiMn High-Entropy Alloy
Authors: Dobeš Ferdinand , Hadraba Hynek , Chlup Zdeněk , Matějíček Jiří
Published: October 2022

Compressive creep tests were performed on a CoCrFeNiMn equiatomic alloy with the dispersion of (i) aluminum nitride or (ii) boron nitride at temperatures of 973 K and 1073 K. The results are compared with previously published creep rates of the unreinforced matrix alloy and the alloy when strengthened by yttrium + titanium oxides. The comparison reveals that the creep rate is essentially unchanged by the presence of aluminum nitride particles, whereas it is reduced by the presence of oxide particles. Boron nitride particles do not influence the creep rate at low stresses but reduce it substantially at high stresses.
Study on the Extraction of CT Images with Non-Uniform Illumination for the Microstructure of Asphalt Mixture
Authors: Zhang Lei , Zheng Guiping , Zhang Kai , Wang Yongfeng , Chen Changming , Zhao Liting , Xu Jiquan , Liu Xinqing , Wang Liqing , Tan Yiqiu , Xing Chao
Published: October 2022

An adaptive image-processing method for CT images of asphalt mixture is proposed in this paper. Different methods are compared according to the error analysis calculated between the real gradation and 3D reconstruction gradation. As revealed by the test results, the adaptive image-processing method was effective in carrying out different brightness homogenization processes for each image. The Wiener filter with 7 × 7 size filter was able to produce a better noise reduction effect without compromising image sharpness. Among the three methods, the adaptive image-processing method performed best in the accuracy of coarse aggregate recognition, followed by the ring division method and the global threshold segmentation method. The error of the gradation extracted by the adaptive image-processing method was found to be lowest compared with the real gradation. For a variety of engineering applications, the developed method helps to improve the analysis of CT images of asphalt mixtures.
Simple and Effective Derivatization of Amino Acids with 1-Fluoro-2-nitro-4-(trifluoromethyl)benzene in a Microwave Reactor for Determination of Free Amino Acids in Kombucha Beverages
Authors: Jastrzębska Aneta , Gralak Zuzanna , Brzuzy Kamil , Kmieciak Anna , Krzemiński Marek P. , Burdziński Rafał , Kurzawa Marzanna , Szłyk Edward
Published: October 2022

Kombucha is a fermentation product of sweetened tea with a symbiotic culture of acetic acid and yeast bacteria, consumed worldwide for its health-promoting properties. Few reports can be found about free amino acids among the health-promoting compounds found and determined in kombucha. These compounds influence the sensory properties of kombucha, and they are precursors of bioactive compounds, which have a significant role as neurotransmitters and are involved in biological functions. The presented studies proposed a convenient, simple, and “more green” procedure of the synthesis of amino acid derivatives, assisted by microwave energy, followed by chromatographic determination. The structure of 1-Fluoro-2-nitro-4-(trifluoromethyl)benzene was used as a suitable reagent for the derivatization of free amino acids in fermented kombucha beverages prepared from selected dry fruit such as Crataegus L., Morus alba L., Sorbus aucuparia L., Berberis vulgaris L., Rosa canina L., and black tea. The obtained results were discussed regarding the tested beverages’ application as a source of amino acids in one’s daily diet. The obtained results point out that the proposed microwave-assisted derivatization procedure prior to HPLC analyses allows for a significant time reduction and the limitation of using organic reagents.
The Impact of Weather Conditions on Biocides in Paints
Authors: Schoknecht Ute , Mathies Helena
Published: October 2022

Weather conditions affect biocides on exposed outer surfaces on constructions. Contact with water causes hydrolysis and leaching of substances. Ultraviolet radiation may induce photolysis. As a result, a mixture of biocidal active substances and transformation products can be emitted into the environment. In a semi-field study, leaching of the biocidal active substances terbutryn, diuron, octylisothiazolinone, carbendazim, and selected transformation products was observed for two paints containing either a white or a red pigment. Painted test panels were exposed to natural weathering for about 1.5 years. Runoff samples were analyzed during the course of the experiment. At the end of the study, residues of biocidal active substances and transformation products were determined in sections of the test panels. Emissions of substances were mainly observed during the first few months of the experiments. Increased emissions of transformation products were observed during periods of increased global radiation and subsequent periods with relatively high amounts of driving rain. Different patterns of transformation products were observed, especially for terbutryn, both for paints containing different pigments and in experiments that were started in different periods of the year, as well as during different periods of the experiments.
Analysis of Ball Check Valves with Conical and Spherical Seat Designs from Common-Rail Pumps
Authors: Petrea Narcis-Daniel , Iordache Razvan-Constantin , Bujoreanu Carmen
Published: October 2022

Common-rail fuel injection systems are still a good option for equipping new car models. The technology is well known, systems of this type are reliable and can be used on a wide variety of diesel and petrol engines. However, there is still room for improvement. The ball check valve, which is part of the common-rail pump, is designed to open and allow the compressed fluid to be sent to the high-pressure accumulator and close to not allow fuel to return to the compression chamber. The valves’ design directly influences the volumetric efficiency of the outlet flow and the robustness against high pressures that lead to low performance and short service life of the fuel injection systems. This paper aims to compare two ball check valves with conical and spherical seat designs. The analysis is based on theoretical calculations and CFD simulations, which will give more confidence in the results. Considering the comparative analysis results, the ball check valve with a spherical seat shows better flow dynamics than the ball check valve with a conical seat. In addition to the improved flow dynamics, the ball check valve with spherical seat seems to have a uniformly distributed fluid pressure inside the valve. In contrast, the conical seat ball check valve has high local fluid pressures, leading to fatigue.
Intelligent Mechatronics in the Measurement, Identification, and Control of Water Level Systems: A Review and Experiment
Authors: Olejnik Paweł , Awrejcewicz Jan
Published: October 2022

In this paper, a unique overview of intelligent machines and mathematical methods designed and developed to measure and to control the water level in industrial or laboratory setups of coupled and cascaded configurations of tanks is made. A systematized and concise overview is made of the mechatronic systems used in the measurement, identification, and control of the water level enumerates, the software used in the associated scientific research, modern techniques and sensors, and mathematical models, as well as analysis and control strategies. The broad overview of applications of the last decade is finalized by a proposition of a control system that is based on a parameter estimation of a new experimental setup, an integral dynamic model of the system, a modern mechatronic machine such as the Watson-Marlow peristaltic pump, the Anderson Negele sensor of level, the NI cRIO-9074 controller, and LabVIEW virtual instrumentation. The results of real experimental tests, exploiting a hybrid proportional control, being improved by a numerically predicted water level, are obtained using a few tools, i.e., the static characteristics, the classical step response, and a new pyramid-shaped step function of a discontinuous path-following reference input, being introduced to evaluate the effectiveness and robustness of the regulation of the level height.
XAI for Churn Prediction in B2B Models: A Use Case in an Enterprise Software Company
Authors: Marín Díaz Gabriel , Galán José Javier , Carrasco Ramón Alberto
Published: October 2022

The literature related to Artificial Intelligence (AI) models and customer churn prediction is extensive and rich in Business to Customer (B2C) environments; however, research in Business to Business (B2B) environments is not sufficiently addressed. Customer churn in the business environment and more so in a B2B context is critical, as the impact on turnover is generally greater than in B2C environments. On the other hand, the data used in the context of this paper point to the importance of the relationship between customer and brand through the Contact Center. Therefore, the recency, frequency, importance and duration (RFID) model used to obtain the customer’s assessment from the point of view of their interactions with the Contact Center is a novelty and an additional source of information to traditional models based on purchase transactions, recency, frequency, and monetary (RFM). The objective of this work consists of the design of a methodological process that contributes to analyzing the explainability of AI algorithm predictions, Explainable Artificial Intelligence (XAI), for which we analyze the binary target variable abandonment in a B2B environment, considering the relationships that the partner (customer) has with the Contact Center, and focusing on a business software distribution company. The model can be generalized to any environment in which classification or regression algorithms are required.
Polyphenylene Sulfide Ultrafine Viscous Fibrous Membrane Modified by ZIF-8 for Highly Effective Oil/Water Separation under High Salt or Alkaline Conditions
Authors: Liu Wenlei , Yu Lingli , Cui Xianfeng , Tan Ce , Zhang Mengen , Wu Di , Li Zhenhuan , Zhang Maliang
Published: October 2022

The oil/water separation in harsh environments has always been a challenging topic all over the world. In this study, the ZIF-8/PPS fiber membranes were fabricated via the combination of hot pressing and in situ growth. The distribution of ZIF-8 in the membranes was adjusted by changing the ZIF-8 in situ growth time, which could control the oil/water separation effect. Due to the hydrophilic nature of the ZIF-8/PPS fiber membranes, the water molecules in the oil-in-water emulsion could quickly penetrate into the fiber membrane under the drive of pressure, gravity, and capillary force, forming a water layer on the surface of the fiber membranes. The coupling of the water layer and the fiber structure prevented direct contact between the oil molecules and the fiber membrane, thereby realizing the separation of the emulsion. The results show that when the ZIF-8 in situ growth time was 10 h, the contact angle, the porosity, and the pure water flux of the ZIF-8/PPS fiber membranes were 72.5°, 52.3%, and 12,351 L/h·m2, respectively. More importantly, the separation efficiency of M10 was 97%, and the oil/water separation efficiency reached 95% after 14 cycles. This study provides a novel strategy for preparing MOFs/fiber materials for oil/water separation in harsh environments.
Fabrication and Characterisation of MWCNT/Polyvinyl (PVC) Polymer Inclusion Membrane for Zinc (II) Ion Removal from Aqueous Solution
Authors: Khalid Nadia Aqilah , Shoparwe Noor Fazliani , Yusoff Abdul Hafidz , Sulaiman Ahmad Ziad , Ahmad Abdul Latif , Azmi Nur Aina
Published: October 2022

Heavy metal pollution has prompted researchers to establish the most effective method to tackle the impacts of heavy metals on living things and the environment, which include by applying nanoparticles. An example is the employment of multi-walled carbon nanotubes (MWCNTs) as an additive in an intermediate membrane or polymer inclusion membrane (PIM). The MWCNTs were added to enhance the properties and reinforce the transport performance of zinc (II) ion (Zn2+) removal from the source phase to the receiver phase by the PIMs. The present study constructed a membrane with a poly(vinyl chloride) (PVC)-based polymer, dioctyl phthalate (DOP) plasticiser, and bis-(2-ethylhexyl) phosphate (B2EHP) carrier incorporated with different concentrations of MWCNTs. The contact angle (CA), water uptake, ion exchange capacity (IEC), and porosity of the fabricated membranes were evaluated. The membrane was also characterised by employing scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), and electrochemical impedance spectroscopy (EIS). Subsequently, the fabricated PIM (W1) and mixed matrix (MM)-PIM (W2–W5) samples were assessed under different parameters to acquire the ideal membrane composition and effectiveness. Kinetic modelling of Zn2+ removal by the fabricated PIMs under similar conditions was performed to reveal the mechanisms involved. The average removal efficiency of the membranes was >99% at different parameter conditions. Nevertheless, the W3 membrane with 1.0 wt% MWCNT immersed in a 5 mg/L initial Zn2+ concentration and 1.0 M receiver solution for seven hours at pH 2 demonstrated the highest percentage of Zn2+ removal. The experimental data were best fitted to the pseudo-first-order kinetic model (PFO) in kinetic modelling, and the permeability and flux of the W3 at optimum conditions were 0.053 m s−1 and 0.0532 mol m−2 s−1, respectively. In conclusion, the transport mechanism of Zn2+ was enhanced with the addition of the MWCNTs.
Effect of Deep Cryogenic Treatment on the Artificial Ageing Behavior of SiCp–AA2009 Composite
Authors: Wang Zhenxiao , Chen Jie , Liu Baosheng , Pan Ran , Gao Yuan , Li Yong
Published: October 2022

The effect of deep cryogenic treatment (DCT) on the artificial ageing kinetics of a SiC particles reinforced aluminum alloy composite (SiCp-Al) is experimentally studied in this paper. The evolutions of both macro-properties (i.e., yield strength and ultimate tensile strength) and microstructures (precipitates) have been investigated by a set of hardness tests, tensile tests, and microstructural observations (scanning electron microscope, SEM and transmission electron microscope, TEM) for a SiCp-Al composite material with conventional heat treatment (solution heat treatment + quenching + artificial ageing, CHT) or DCT (solution heat treatment + quenching + deep cryogenic + artificial ageing). The results show that SiCp could significantly accelerate the ageing kinetics of the composites. Meanwhile, compared with CHT conditions, DCT can further improve the yield strength (YS) and ultimate tensile strength (UTS) of the composite materials after artificial ageing. The microstructures show that DCT induces the generation of more thinner θ′ precipitates homogeneously distributed in the grains during artificial ageing compared with corresponding CHT conditions. A quantified analysis has been performed based on the microstructural data, and the calculated results further support the indication that the strengthening effect in DCT compared with CHT is mainly contributed by corresponding precipitation behavior.
Hybrid Compliant Musculoskeletal System for Fast Actuation in Robots
Authors: Wiersinga Pieter , Sleavin Aidan , Boom Bart , Masmeijer Thijs , Flint Spencer , Habtour Ed
Published: October 2022

A nature-inspired musculoskeletal system is designed and developed to examine the principle of nonlinear elastic energy storage–release for robotic applications. The musculoskeletal system architecture consists of elastically rigid segments and hyperelastic soft materials to emulate rigid–soft interactions in limbless vertebrates. The objectives are to (i) improve the energy efficiency of actuation beyond that of current pure soft actuators while (ii) producing a high range of motion similar to that of soft robots but with structural stability. This paper proposes a musculoskeletal design that takes advantage of structural segmentation to increase the system’s degrees of freedom, which enhances the range of motion. Our findings show that rigid–soft interactions provide a remarkable increase in energy storage and release and, thus, an increase in the undulation speed. The energy efficiency achieved is approximately 68% for bending the musculoskeletal system from the straight configuration, compared to 2.5–30% efficiency in purely soft actuators. The hybrid compliance of the musculoskeletal system under investigation shows promise for alleviating the need for actuators at each joint in a robot.
Serpentine Micromixers Using Extensional Mixing Elements
Authors: Tomaras George , Kothapalli Chandrasekhar R. , Fodor Petru S.
Published: October 2022

Computational fluid dynamics modeling was used to characterize the effect of the integration of constrictions defined by the vertices of hyperbolas on the flow structure in microfluidic serpentine channels. In the new topology, the Dean flows characteristic of the pressure-driven fluid motion along curved channels are combined with elongational flows and asymmetric longitudinal eddies that develop in the constriction region. The resulting complex flow structure is characterized by folding and stretching of the fluid volumes, which can promote enhanced mixing. Optimization of the geometrical parameters defining the constriction region allows for the development of an efficient micromixer topology that shows robust enhanced performance across a broad range of Reynolds numbers from Re = 1 to 100.
Using Chiplet Encapsulation Technology to Achieve Processing-in-Memory Functions
Authors: Tian Wenchao , Li Bin , Li Zhao , Cui Hao , Shi Jing , Wang Yongkun , Zhao Jingrong
Published: October 2022

With the rapid development of 5G, artificial intelligence (AI), and high-performance computing (HPC), there is a huge increase in the data exchanged between the processor and memory. However, the “storage wall” caused by the von Neumann architecture severely limits the computational performance of the system. To efficiently process such large amounts of data and break up the “storage wall”, it is necessary to develop processing-in-memory (PIM) technology. Chiplet combines processor cores and memory chips with advanced packaging technologies, such as 2.5D, 3 dimensions (3D), and fan-out packaging. This improves the quality and bandwidth of signal transmission and alleviates the “storage wall” problem. This paper reviews the Chiplet packaging technology that has achieved the function of PIM in recent years and analyzes some of its application results. First, the research status and development direction of PIM are presented and summarized. Second, the Chiplet packaging technologies that can realize the function of PIM are introduced, which are divided into 2.5D, 3D packaging, and fan-out packaging according to their physical form. Further, the form and characteristics of their implementation of PIM are summarized. Finally, this paper is concluded, and the future development of Chiplet in the field of PIM is discussed.
Dynamic Adaptive Display System for Electrowetting Displays Based on Alternating Current and Direct Current
Authors: Li Shixiao , Xu Yijian , Zhan Zhiyu , Du Pengyuan , Liu Linwei , Li Zikai , Wang Huawei , Bai Pengfei
Published: October 2022

As a representative of the new reflective display technology, electrowetting display (EWD) technology can be used as a video playback display device due to its fast response characteristics. Direct current (DC) driving brings excellent reflectivity, but static images cannot be displayed continually due to charge trapping, and it can cause afterimages when playing a dynamic video due to contact angle hysteresis. Alternating current (AC) driving brings a good dynamic video refresh ability to EWDs, but that can cause flickers. In this paper, a dynamic adaptive display model based on thin film transistor-electrowetting display (TFT-EWD) was proposed. According to the displayed image content, the TFT-EWD display driver was dynamically adjusted by AC and DC driving models. A DC hybrid driving model was suitable for static image display, which could effectively suppress oil backflow and achieve static image display while ensuring high reflectivity. A source data non-polarized model (SNPM) is an AC driving model which was suitable for dynamic video display and was proposed at the same time. Compared with DC driving, it could obtain smooth display performance with a loss of about 10 absorbance units (A.U.) of reflective luminance, which could solve the flicker problem. With the DC hybrid driving model, the ability to continuously display static images could be obtained with a loss of 2 (A.U.) of luminance. Under the AC driving in SNPM, the reflected luminance was as high as 67 A.U., which was 8 A.U. higher than the source data polarized model (SPM), and it was closer to the reflected luminance under DC driving.
Direct MALDI-TOF MS and Antimicrobial Susceptibility Testing of Positive Blood Cultures Using the FASTTM System and FAST-PBC Prep Cartridges—Performance Evaluation in a Clinical Microbiology Laboratory Serving High-Risk Patients
Authors: Ugaban Khay , Pak Pil , She Rosemary C.
Published: October 2022

Bloodstream infections are a leading cause of morbidity and mortality. The rapid diagnostic testing of positive blood cultures (PBCs) shortens times to effective therapy and the de-escalation of broad-spectrum empiric therapy. This is the first study examining the Qvella FASTTM System for the rapid (~20 min) purification of microorganisms directly from PBCs using BacT/Alert® FA/FAN bottles in the bioMérieux Virtuo instrument. We compared the performance of the FASTTM System Liquid ColonyTM (LC), for immediate downstream ID and phenotypic AST, to standard workflow involving colonies obtained by overnight subculture. The LC yielded a concordant species ID by VITEK MS in 121/138 (87.7%) samples, identifying 32 different Gram-positive and Gram-negative species with 3/123 (2.6%) discordances. Compared to standard workflow, direct AST of the LC using VITEK® 2 yielded 98.4% categorical agreement and 98.0% essential agreement. Very major error, major error, and minor error rates were 1.0%, 0.0%, and 1.8%, respectively, for Gram-negative organisms; and 1.9%, 0.2%, and 1.2%, respectively, for Gram-positive organisms. The median times from positive blood culture flag to results by FASTTM System for ID and AST were 7.8 h and 15.7 h, respectively, versus 22.4 h and 36.6 h for standard workflow, respectively. In conclusion, the FASTTM System provides reliable results for direct ID and AST from PBCs with significantly decreased turnaround times.
Provenance and Stratigraphy of the Upper Carboniferous—Lower Permian Strata of October Revolution Island (Severnaya Zemlya Archipelago): Implications for Geological History of the Russian High Arctic
Authors: Ershova Victoria , Prokopiev Andrei , Stockli Daniel , Zbukova Daria , Shmanyak Anton
Published: October 2022

Small depressions across the north-eastern part of October Revolution Island (Severnaya Zemlya archipelago, Kara terrane) are filled with continental terrigenous rocks, dated as Upper Carboniferous–Lower Permian in age based on palynological data. These rocks overlie Ordovician volcaniclastic rocks above a prominent angular unconformity. U-Pb dating of detrital zircons from the Late Carboniferous–Lower Permian rocks reveals that most grains are Ordovician in age, ranging between 475–455 Ma. A subordinate population of Silurian detrital zircons is also present, contributing up to 15% of the dated population, while Precambrian grains mainly yield Neo-Mesoproterozoic ages and do not form prominent peaks. The combined U-Pb and (U-Th)/He ages indicate that most zircon (U-Th)/He ages were reset and average at ca. 317 Ma, suggesting ~6–7 km of Late Carboniferous uplift within the provenance area. This provenance area, mainly comprising Ordovician magmatic and volcanic rocks, was located close to the study area based on the coarse-grained nature of Late Carboniferous–Lower Permian rocks of north-eastern October Revolution Island. Therefore, we propose that Late Paleozoic tectonism significantly affected both the southern margin of the Kara terrane, as previously supposed, and also its north-eastern part. We propose that the Late Paleozoic Uralian suture zone continued to the north-eastern October Revolution Island and was responsible for the significant tectonic uplift of the studied region. This suture zone is now hidden beneath the younger Arctic basins.
New Insights into the Evolution and Footprints of the Paraíba Au-Cu-Mo Deposit, Alta Floresta Mineral Province (Brazil), through Integration of Spectral and Conventional Methods
Authors: Poggi Luciano , Ducart Diego Fernando , Mesquita Maria José , Moreira Igor Camargo , Gomes Márcia Elisa Boscato , de Souza Filho Carlos Roberto
Published: October 2022

The Paraíba is an Au-Cu-Mo deposit located in the southern part of the Amazon Craton, in the Alta Floresta Mineral Province, Mato Grosso State, Brazil. It is composed of Au-Cu-bearing quartz veins and Cu-Mo-rich hydrothermal breccias and stockworks, both associated with several hydrothermal alteration zones. The integration of spectral (reflectance and imaging spectroscopy) and conventional techniques (core logging, petrography, mineral chemistry, and scanning electron microscopy) was applied to map alteration zones, identify mineral parageneses, and determine the evolution of the deposit to generate a solid proxy for mineralized zones. This study shows an overlapping of two different mineralization systems in the AFMP, referenced hereafter as alteration Groups 1 and 2. Group 1 is an Orogenic Gold system related to Au-Cu-rich quartz veins in phyllonites and mylonites. Group 2 is a Cu-Mo Porphyry system related to a syenogranite intrusion and the subsequent generation of several hydrothermal alteration zones, Cu and Mo hydrothermal breccias, and stockwork mineralization. This study reveals several alteration footprints, guides, and vectors for the mineral exploration of these deposits in the Alta Floresta Mineral Province.
Failure Behavior of Cuboid Granite Sample with a Circular Hole beneath a Bonding Fracture under Biaxial Compression
Authors: Li Diyuan , Jiang Jingtai , Gao Feihong
Published: October 2022

Ore bodies incubating within fault zones are a common phenomenon in geological strata and pose a huge challenge for underground mining. To effectively exploit mineral resources, the layout of the mining roadway and the interaction between the roadway and geological fault must be considered. In this paper, a bonding fracture was formed on granite samples to simulate a closed fault, under which a circular hole was fabricated to simulate the roadway of the gold mine. We performed a biaxial compression test at a true-triaxial electrohydraulic servo testing system for granite samples with a combined fracture-hole structure. It is worth noting that the fracture inclination β and relative distance between fracture and hole L were taken into account. The digital image correlation (DIC) technique was used to observe the displacement and strain field evolution around the fracture-hole structure. Our results demonstrate that (1) the strength of the granite sample decreases with increasing bonding fracture dip angle β, and the displacement drops between the hanging wall and foot wall raised in both the horizontal and vertical displacement directions. Macroscopic cracks become dense, and the failure degree becomes severe around simulated fault areas. (2) With the increase in the distance L, the strength of the granite sample increases, the influence of the hole on the slip of the fracture plane is weakened, and the discontinuity of displacement becomes less obvious. (3) The maximum principal strain field quantitatively reveals the details of the crack initiation, propagation, and coalescence around the fracture-hole structure, and displacement nucleation is observed in the vertical displacement field.
Synthesis of Trifluoromethylated Monoterpene Amino Alcohols
Authors: Petrova Polina A. , Sudarikov Denis V. , Frolova Larisa L. , Rumyantcev Roman V. , Rubtsova Svetlana A. , Kutchin Aleksandr V.
Published: October 2022

For the first time, monoterpene trifluoromethylated β-hydroxy-benzyl-O-oximes were synthesized in 81–95% yields by nucleophilic addition of the Ruppert–Prakash reagent (TMSCF3) to the corresponding β-keto-benzyl-O-oximes based on (+)-nopinone, (−)-verbanone and (+)-camphoroquinone. Trifluoromethylation has been determined to entirely proceed chemo- and stereoselective at the C=O rather than C=N bond. Trifluoromethylated benzyl-O-oximes were reduced to the corresponding α-trifluoromethyl-β-amino alcohols in 82–88% yields. The structure and configuration of the compounds obtained have been established.
Preparation of Chiral Enantioenriched Densely Substituted Cyclopropyl Azoles, Amines, and Ethers via Formal SN2′ Substitution of Bromocylopropanes
Authors: Straub Hillary , Ryabchuk Pavel , Rubina Marina , Rubin Michael
Published: October 2022

Enantiomerically enriched cyclopropyl ethers, amines, and cyclopropylazole derivatives possessing three stereogenic carbon atoms in a small cycle are obtained via the diastereoselective, formal nucleophilic substitution of chiral, non-racemic bromocyclopropanes. The key feature of this methodology is the utilization of the chiral center of the cyclopropene intermediate, which governs the configuration of the two adjacent stereocenters that are successively installed via 1,4-addition/epimerization sequence.
Reagent-Controlled Highly Stereoselective Difluoromethylation: Efficient Access to Chiral α-Difluoromethylamines from Ketimines
Authors: Liu Qinghe , Kong Taige , Ni Chuanfa , Hu Jinbo
Published: October 2022

A reagent-controlled highly stereoselective reaction between (S)-difluoromethyl phenyl sulfoximine 1 and imines is reported, and this synthetic method provides a variety of enantiomerically enriched α-difluoromethyl amines. The main pros of this approach include high efficiency, high stereoselectivity, and a broad substrate scope, which is probably achieved through a non-chelating transition state.
Photocatalytic Degradation of Dyes Using Titania Nanoparticles Supported in Metal-Organic Materials Based on Iron
Authors: Rojas-García Elizabeth , García-Martínez Diana Carolina , López-Medina Ricardo , Rubio-Marcos Fernando , Castañeda-Ramírez Aldo A. , Maubert-Franco Ana M.
Published: October 2022

Composite materials based on titania nanoparticles (TiO2 NPs) and three metal-organic frameworks (MOFs) called MIL-53 (Fe) ((Fe (III) (OH) (1,4-BDC)), MILs (Materials Institute Lavoisier)), MIL-100 (Fe) (Fe3O(H2O)2OH(BTC)2), and Fe-BTC (iron-benzenetricarboxylate) with different percentages of TiO2 NPs (0.5, 1, and 2.5% wt.) were synthesized using the solvothermal method and used as photocatalytic materials in the degradation of two dyes (Orange II and Reactive Black 5 (RB5)). The pristine and composite materials were characterized with X-ray diffraction, Raman, UV–Vis and Fourier transform infrared spectroscopy and scanning electron microscopy techniques. The 2.5TiO2/MIL-100 composite material showed the best results for the degradation of both dyes (Reactive Black 5 and Orange II dye, 99% and 99.5% degradation in 105 and 150 min, respectively). The incorporation of TiO2 NPs into MOFs can decrease the recombination of the change carrier in the MOF, increasing the photocatalytic activity of a pristine MOF. Results therefore indicated that the synthesized MOF nanocomposites have good potential for wastewater treatment.
Ultrasensitive Detection of Cu(II) and Pb(II) Using a Water-Soluble Perylene Probe
Authors: Kozma Erika , Boccia Antonella Caterina , Andicsova-Eckstein Anita , Pulvirenti Alfio , Botta Chiara
Published: October 2022

The selective detection of metal ions in water, using sustainable detection systems, is of crescent importance for monitoring water environments and drinking water safety. One of the key elements of future chemical sciences is the use of sustainable approaches in the design of new materials. In this study, we design and synthesize a low-cost, water-soluble potassium salt of 3,4,9,10-perylene tetracarboxylic acid (PTAS), which shows a selective optical response on the addition of Cu2+ and Pb2+ ions in aqueous solutions. By using a water-soluble chromophore, the interactions with the metal ions are definitely more intimate and efficient, with respect to standard methods employing cosolvents. The detection limits of PTAS for both Cu2+ and Pb2+ are found to be 2 µM by using a simple absorbance mode, and even lower (1 μM) with NMR experiments, indicating that this analyte–probe system is sensitive enough for the detection of copper ions in drinking water and lead ions in waste water. The complexation of PTAS with both ions is supported with NMR studies, which reveal the formation of new species between PTAS and analytes. By combining a low-cost water-soluble chromophore with efficient analyte–probe interactions due to the use of aqueous solutions, the results here obtained provide a basis for designing sustainable sensing systems.
Mechanism and Regulation of Microglia Polarization in Intracerebral Hemorrhage
Authors: Guo Yuting , Dai Weibo , Zheng Yan , Qiao Weilin , Chen Weixuan , Peng Lihua , Zhou Hua , Zhao Tingting , Liu Huimin , Zheng Feng , Sun Peng
Published: October 2022

Intracerebral hemorrhage (ICH) is the most lethal subtype of stroke, but effective treatments are lacking, and neuroinflammation plays a key role in the pathogenesis. In the innate immune response to cerebral hemorrhage, microglia first appear around the injured tissue and are involved in the inflammatory cascade response. Microglia respond to acute brain injury by being activated and polarized to either a typical M1-like (pro-inflammatory) or an alternative M2-like (anti-inflammatory) phenotype. These two polarization states produce pro-inflammatory or anti-inflammatory. With the discovery of the molecular mechanisms and key signaling molecules related to the polarization of microglia in the brain, some targets that regulate the polarization of microglia to reduce the inflammatory response are considered a treatment for secondary brain tissue after ICH damage effective strategies. Therefore, how to promote the polarization of microglia to the M2 phenotype after ICH has become the focus of attention in recent years. This article reviews the mechanism of action of microglia’s M1 and M2 phenotypes in secondary brain injury after ICH. Moreover, it discusses compounds and natural pharmaceutical ingredients that can polarize the M1 to the M2 phenotype.
A Review of Crystalline Multibridged Cyclophane Cages: Synthesis, Their Conformational Behavior, and Properties
Authors: Zhang Xing-Xing , Li Jian , Niu Yun-Yin
Published: October 2022

This paper reviews the most stable conformation of crystalline three-dimensional cyclophane (CP) achieved by self-assembling based on changing the type of aromatic compound or regulating the type and number of bridging groups. [3n]cyclophanes (CPs) were reported to form supramolecular compounds with bind organic, inorganic anions, or neutral molecules selectively. [3n]cyclophanes ([3n]CPs) have stronger donor capability relative to compound [2n]cyclophanes ([2n]CPs), and it is expected to be a new type of electron donor for the progress of fresh electron conductive materials. The synthesis, conformational behavior, and properties of crystalline multi-bridge rings are summarized and discussed.
DAD-Net: Classification of Alzheimer’s Disease Using ADASYN Oversampling Technique and Optimized Neural Network
Authors: Ahmed Gulnaz , Er Meng Joo , Fareed Mian Muhammad Sadiq , Zikria Shahid , Mahmood Saqib , He Jiao , Asad Muhammad , Jilani Syeda Fizzah , Aslam Muhammad
Published: October 2022

Alzheimer’s Disease (AD) is a neurological brain disorder that causes dementia and neurological dysfunction, affecting memory, behavior, and cognition. Deep Learning (DL), a kind of Artificial Intelligence (AI), has paved the way for new AD detection and automation methods. The DL model’s prediction accuracy depends on the dataset’s size. The DL models lose their accuracy when the dataset has an imbalanced class problem. This study aims to use the deep Convolutional Neural Network (CNN) to develop a reliable and efficient method for identifying Alzheimer’s disease using MRI. In this study, we offer a new CNN architecture for diagnosing Alzheimer’s disease with a modest number of parameters, making it perfect for training a smaller dataset. This proposed model correctly separates the early stages of Alzheimer’s disease and displays class activation patterns on the brain as a heat map. The proposed Detection of Alzheimer’s Disease Network (DAD-Net) is developed from scratch to correctly classify the phases of Alzheimer’s disease while reducing parameters and computation costs. The Kaggle MRI image dataset has a severe problem with class imbalance. Therefore, we used a synthetic oversampling technique to distribute the image throughout the classes and avoid the problem. Precision, recall, F1-score, Area Under the Curve (AUC), and loss are all used to compare the proposed DAD-Net against DEMENET and CNN Model. For accuracy, AUC, F1-score, precision, and recall, the DAD-Net achieved the following values for evaluation metrics: 99.22%, 99.91%, 99.19%, 99.30%, and 99.14%, respectively. The presented DAD-Net outperforms other state-of-the-art models in all evaluation metrics, according to the simulation results.
Promoting Co-Crystallization in Poly(butylene succinate) and Poly(butylene fumarate) Blends via End-Group Functionalization
Authors: Wei Xue-Wei , Chen Cong , Wu Tian-Yu , Cai Li-Hai , Ye Hai-Mu
Published: October 2022

Co-crystallization plays a crucial role in the integration and regulation of thermal and mechanical properties in polymer blends, but the poor compatibility of the components in the crystal phase has always been a major obstacle to co-crystallization, which puts forward stricter requests for linkage and interaction between different entities. On the basis of the hydrogen-bonding interaction that can promote chain stacking and thus improve miscibility, we propose that crystalline/crystalline blends of 2-ureido-4[1H]-pyrimidinone (UPy)-functionalized poly(butylene succinate) and poly(butylene fumarate) (PBS-UPy/PBF-UPy) where UPy groups with quadruple hydrogen-bonding interaction are employed to connect different chain ends, could inhibit phase separation and improve co-crystallization. PBS-UPy/PBF-UPy blends exhibit complex component-dependent and cooling-rate-dependent co-crystallization behavior. A high level of co-crystallization occurs in the range of PBS-UPy-rich fractions, and the proportion could approach over 98% under optimized conditions with the aid of UPy quadruple hydrogen bonds interaction. This work enriches the understanding of co-crystallization in crystalline/crystalline polymer blends and provides more possibility for the design of structures and properties of polymer materials.
Polygonatum cyrtonema Hua Polysaccharides Protect BV2 Microglia Relief Oxidative Stress and Ferroptosis by Regulating NRF2/HO-1 Pathway
Authors: Li Jiayu , Wang Xifan , Zhou Rongrong , Cheng Fei , Tang Xueyang , Lao Jia , Xu Linben , He Wei , Wan Dan , Zeng Hongliang , Zhang Shuihan
Published: October 2022

Neuronal-regulated cell death (RCD) due to the accumulation of ROS within the central nervous system (CNS) is one of the crucial causes of central system diseases. Caspase-dependent apoptosis is the only form of RCD. As research progressed, several nonapoptotic cell death pathway RCDs were identified. Ferroptosis is a nonapoptotic RCD characterized by lipid peroxidation and plasma membrane damage. Polygonatum cyrtonema Hua. Polysaccharides (PCP) are an effective antioxidant. Based on this, the protective effect and mechanism of PCP against H2O2-induced microglial injury were investigated. Furthermore, the protective mechanism of PCP against ferroptosis in microglia was explored. Our results indicated that PCP could reduce oxidative stress-induced ROS accumulation by activating the NRF2/HO-1 signaling pathway, thus attenuating RCD in microglia. Subsequent studies have revealed that PCP alleviates ferroptosis in microglia due to protein levels of ERASTIN/RSL3 inhibitor SLC7A11/GPX4 by activating the NRF2/HO-1 signaling pathway. Therefore, we hypothesized that PCP exerts antioxidative and anti-ferroptosis effects by activating the expression of the NRF2/HO-1 pathway. This facilitates new ideas for clinically effective prevention and treatment of diseases due to accumulated reactive oxygen species in the CNS. Simultaneously, PCP has the development potential as a new drug candidate for treating CNS diseases.
Structural Prediction and Characterization of Canavalia grandiflora (ConGF) Lectin Complexed with MMP1: Unveiling the Antiglioma Potential of Legume Lectins
Authors: Leal Rodrigo Bainy , Mann Josiane , Pinto-Junior Vanir Reis , Oliveira Messias Vital , Osterne Vinicius Jose Silva , Wolin Ingrid Alessandra Victoria , Nascimento Ana Paula Machado , Welter Priscilla Gomes , Ferreira Valeria Maria Sousa , Silva Alice Araujo , Seeger Rodrigo Lopes , Nascimento Kyria Santiago , Cavada Benildo Sousa
Published: October 2022

A glioblastoma (GBM) is a highly malignant primary brain tumor with a poor prognosis because of its invasiveness and high resistance to current therapies. In GBMs, abnormal glycosylation patterns are associated with malignancy, which allows for the use of lectins as tools for recognition and therapy. More specifically, lectins can interact with glycan structures found on the malignant cell surface. In this context, the present work aimed to investigate the antiglioma potential of ConGF, a lectin purified from Canavalia grandiflora seeds, against C6 cells. The treatment of C6 cells with ConGF impaired the mitochondrial transmembrane potential, reduced cell viability, and induced morphological changes. ConGF also induced massive autophagy, as evaluated by acridine orange (AO) staining and LC3AB-II expression, but without prominent propidium iodide (PI) labeling. The mechanism of action appears to involve the carbohydrate-binding capacity of ConGF, and in silico studies suggested that the lectin can interact with the glycan structures of matrix metalloproteinase 1 (MMP1), a prominent protein found in malignant cells, likely explaining the observed effects.
Acetylcholinesterase Inhibitory Activities of Essential Oils from Vietnamese Traditional Medicinal Plants
Authors: Hung Nguyen Huy , Quan Pham Minh , Satyal Prabodh , Dai Do Ngoc , Hoa Vo Van , Huy Ngo Gia , Giang Le Duc , Ha Nguyen Thi , Huong Le Thi , Hien Vu Thi , Setzer William N.
Published: October 2022

Essential oils are promising as environmentally friendly and safe sources of pesticides for human use. Furthermore, they are also of interest as aromatherapeutic agents in the treatment of Alzheimer’s disease, and inhibition of the enzyme acetylcholinesterase (AChE) has been evaluated as an important mechanism. The essential oils of some species in the genera Callicarpa, Premna, Vitex and Karomia of the family Lamiaceae were evaluated for inhibition of electric eel AChE using the Ellman method. The essential oils of Callicarpa candicans showed promising activity, with IC50 values between 45.67 and 58.38 μg/mL. The essential oils of Callicarpa sinuata, Callicarpa petelotii, Callicarpa nudiflora, Callicarpa erioclona and Vitex ajugifolia showed good activity with IC50 values between 28.71 and 54.69 μg/mL. The essential oils Vitex trifolia subsp. trifolia and Callicarpa rubella showed modest activity, with IC50 values of 81.34 and 89.38, respectively. trans-Carveol showed an IC50 value of 102.88 µg/mL. Molecular docking and molecular dynamics simulation were performed on the major components of the studied essential oils to investigate the possible mechanisms of action of potential inhibitors. The results obtained suggest that these essential oils may be used to control mosquito vectors that transmit pathogenic viruses or to support the treatment of Alzheimer’s disease.
Bioaccessibility of Betalains in Beetroot (Beta vulgaris L.) Juice under Different High-Pressure Techniques
Authors: Trych Urszula , Buniowska-Olejnik Magdalena , Marszałek Krystian
Published: October 2022

The influence of high hydrostatic pressure (HHP) and supercritical carbon dioxide (SCCD) on the bioaccessibility of betalains in beetroot (Beta vulgaris L.) juice was investigated. Freshly squeezed juice (FJ) was treated at a mild temperature of 45 °C for 10 min (T45), pasteurization at 85 °C for 10 min (T85), HHP at 200, 400, and 500 MPa at 20 °C for 5 min (HHP200, HHP400, HHP500) and SCCD at 10, 30 and 60 MPa at 45 °C for 10 min (SCCD10, SCCD30, SCCD60). The juice was subjected to an in vitro digestion system equipped with dialysis. The content of betalains was measured with the aid of a High-Performance Liquid Chromatography (HPLC), the antioxidant capacity (AC) (ABTS•+, DPPH•) was analyzed during each digestion step, and the bioaccessibility of betacyanins and betaxanthins was assessed. The SCCD at 30 and 60 MPa significantly increased pigments’ bioaccessibility compared with other samples. The 30 MPa proved particularly advantageous, as it increased the bioaccessibility of the total betacyanins and the betaxanthins by 58% and 64%, respectively, compared to the T85 samples. Additionally, higher bioaccessibility of betacyanins was noted in HHP200 and HHP400, by 35% and 32%, respectively, compared to FJ, T45, and T85 samples. AC measured by ABTS•+ and DPPH• assays were not unequivocal. However, both assays showed significantly higher AC in SCCD60 compared to T85 (21% and 31%, respectively). This research contributed to the extended use of the HHP and/or SCCD to design food with higher health-promoting potentials.
Dephasing Processes in the Molecular Dye Lumogen-F Orange Characterized by Two-Dimensional Electronic Spectroscopy
Authors: Russo Mattia , McGhee Kirsty E. , Virgili Tersilla , Lidzey David G. , Cerullo Giulio , Maiuri Margherita
Published: October 2022

Molecular dyes are finding more and more applications in photonics and quantum technologies, such as polaritonic optical microcavities, organic quantum batteries and single-photon emitters for quantum sensing and metrology. For all these applications, it is of crucial importance to characterize the dephasing mechanisms. In this work we use two-dimensional electronic spectroscopy (2DES) to study the temperature dependent dephasing processes in the prototypical organic dye Lumogen-F orange. We model the 2DES maps using the Bloch equations for a two-level system and obtain a dephasing time T2 = 53 fs at room temperature, which increases to T2 = 94 fs at 86 K. Furthermore, spectral diffusion processes are observed and modeled by a combination of underdamped and overdamped Brownian oscillators. Our results provide useful design parameters for advanced optoelectronic and photonic devices incorporating dye molecules.