bluuebunny/crossref_metadata_2025 huggingface dataset:
Virucidal and Bactericidal Filtration Media from Electrospun Polylactic Acid Nanofibres Capable of Protecting against COVID-19
Authors: Karabulut Fabrice Noël Hakan , Fomra Dhevesh , Höfler Günther , Chand Naveen Ashok , Beckermann Gareth Wesley
Published: May 2022

Electrospun nanofibres excel at air filtration owing to diverse filtration mechanisms, thereby outperforming meltblown fibres. In this work, we present an electrospun polylactide acid nanofibre filter media, FilterLayrTM Eco, displaying outstanding bactericidal and virucidal properties using Manuka oil. Given the existing COVID-19 pandemic, face masks are now a mandatory accessory in many countries, and at the same time, they have become a source of environmental pollution. Made by NanoLayr Ltd., FilterLayrTM Eco uses biobased renewable raw materials with products that have end-of-life options for being industrially compostable. Loaded with natural and non-toxic terpenoid from manuka oil, FilterLayr Eco can filter up to 99.9% of 0.1 µm particles and kill >99% of trapped airborne fungi, bacteria, and viruses, including SARS-CoV-2 (Delta variant). In addition, the antimicrobial activity, and the efficacy of the filter media to filtrate particles was shown to remain highly active following several washing cycles, making it a reusable and more environmentally friendly option. The new nanofibre filter media, FilterLayrTM Eco, met the particle filtration efficiency and breathability requirements of the following standards: N95 performance in accordance with NIOSH 42CFR84, level 2 performance in accordance with ASTM F2100, and level 2 filtration efficiency and level 1 breathability in accordance with ASTM F3502. These are globally recognized facemask and respirator standards.
Structural FEM Analyses of a Landing Gear Testing Machine
Authors: Giannella Venanzio , Baglivo Giovanni , Giordano Rosario , Sepe Raffaele , Citarella Roberto
Published: May 2022

The “Electro-mechanical Landing gear system Integration for Small Aircraft” (E-LISA) research project has the objective of developing an innovative “iron bird”, a testing facility dedicated to executing tests on an innovative landing gear of a small aircraft. This document presents the structural analyses of this complex testing machine performed with the Finite Element Method (FEM). Key purposes of these numerical simulations were the quantifications of the stress and displacement fields under the loading conditions foreseen for the machine. A modal analysis was performed with the aim of calculating eigenvalues and eigenvectors useful to provide an assessment of the structural dynamic response. The most critical mode shapes and the related frequencies were calculated, and the potentially critical rotational speeds were quantified. Finally, the Peak Stress Method (PSM) was adopted to quantify the fatigue resistance of the most critical weldments and an infinite fatigue life was assessed for the most critical one. The design of the machine, which is currently under manufacturing, was validated by the structural analyses presented here.
Optimization of Si Content to Inhibit Inhomogeneous Deformation in Al-Mg-Si Alloy Fabricated via Twin-Roll Casting
Authors: Wei Bowen , Li Shiju , Jiang Tao , Zhang Youyun , Xu Guangming , Li Yong , Wang Zhaodong
Published: May 2022

Herein, the effects of Si content on the microstructure evolution of Al-Mg-Si alloys during twin-roll casting (TRC) and subsequent heat treatment were characterized using scanning electron microscopy, emission electron probe micro analysis, electron backscatter diffraction, and transmission electron microscopy. The effects of insoluble Si particles, solute gradient, and recrystallization on the mechanical properties of the alloy in the T4P state were analyzed. An inhomogeneous deformation in the thickness direction of the TRC strip was observed during the pre-strain test. A premature local deformation at the element barren region (EBR) in the middle of the strip was considered to be the origin of the limited mechanical properties. By increasing the Si from 0.7 wt% to 1.1 wt%, the content and uniformity of the solute in the EBR can be effectively improved. The stronger work-hardening ability weakens the inhomogeneous deformation. Si addition significantly increased the number of insoluble Si particles during the heat treatment. The structure with a hard shell and soft core in the TRC strip significantly reduced the negative effect of insoluble Si particles on the mechanical properties. The tensile strength and uniform elongation of the strip increased from 159.44 MPa and 18.36% to 209.96 MPa and 29.791%, respectively.
Identification of Serum Oxylipins Associated with the Development of Coronary Artery Disease: A Nested Case-Control Study
Authors: Chiang Kuang-Mao , Chen Jia-Fu , Yang Chin-An , Xiu Lili , Yang Hsin-Chou , Shyur Lie-Fen , Pan Wen-Harn
Published: May 2022

Coronary artery disease (CAD) is among the leading causes of death globally. The American Heart Association recommends that people should consume more PUFA-rich plant foods to replace SFA-rich ones to lower serum cholesterol and prevent CAD. However, PUFA may be susceptible to oxidation and generate oxidized products such as oxylipins. In this study, we investigated whether the blood oxylipin profile is associated with the risk of developing CAD and whether including identified oxylipins may improve the predictability of CAD risk. We designed a nested case-control study with 77 cases and 148 matched controls from a 10-year follow-up of the Nutrition and Health Survey in a Taiwanese cohort of 720 people aged 50 to 70. A panel of 46 oxylipins was measured for baseline serum samples. We discovered four oxylipins associated with CAD risk. 13-oxo-ODE, which has been previously found in formed plagues, was positively associated with CAD (OR = 5.02, 95%CI = 0.85 to 15.6). PGE2/PGD2, previously shown to increase cardiac output, was inversely associated (OR = 0.16, 95%CI = 0.06 to 0.42). 15-deoxy-PGJ2, with anti-inflammatory and anti-apoptosis effects on cardiomyocytes (OR = 0.26, 95%CI = 0.09 to 0.76), and 5-HETE, which was associated with inflammation (OR = 0.28, 95%CI = 0.10 to 0.78), were also negatively associated as protective factors. Adding these four oxylipins to the traditional risk prediction model significantly improved CAD prediction.
High Birefringence D-Shaped Germanium-Doped Photonic Crystal Fiber Sensor
Authors: Zhao Qianhe , Liu Jin , Yang Haima , Liu Haishan , Zeng Guohui , Huang Bo
Published: May 2022

In this work, a surface plasmon resonance (SPR) sensor based on a D-shaped germanium-doped photonic crystal fiber (PCF) is proposed. The finite element method (FEM) is introduced to analyze the structure parameters, such as germanium-doped concentration, lattice pitch, and air hole size. In addition, the coupling properties and birefringence properties of PCF are also studied. The computer simulation results indicate that two different surface plasmon polariton (SPP) coupling modes are produced on the polished surface, covered with metal film, when the analyte refractive index (RI) is 1.34. Then, with the increase of the RI, the incompleteness of one of the coupling modes will be transformed into the complete coupling. The effect of germanium concentration on the birefringence is also analyzed. It has an optimal wavelength sensitivity of 5600 nm/RIU when the RI is 1.37. This sensor exhibits a maximum birefringence of 1.06 × 10−2 and a resolution of 1.78 × 10−5 RIU with high linearity.
Design and Modeling of a Microfluidic Coral Polyps Culture Chip with Concentration and Temperature Gradients
Authors: Zhou Shizheng , Fu Edgar S. , Chen Bingbing , Yan Hong
Published: May 2022

Traditional methods of cultivating polyps are costly and time-consuming. Microfluidic chip technology makes it possible to study coral polyps at the single-cell level, but most chips can only be analyzed for a single environmental variable. In this work, we addressed these issues by designing a microfluidic coral polyp culture chip with a multi-physical field for multivariable analyses and verifying the feasibility of the chip through numerical simulation. This chip used multiple serpentine structures to generate the concentration gradient and used a circuit to form the Joule effect for the temperature gradient. It could generate different temperature gradients at different voltages for studying the growth of polyps in different solutes or at different temperatures. The simulation of flow field and temperature showed that the solute and heat could be transferred evenly and efficiently in the chambers, and that the temperature of the chamber remained unchanged after 24 h of continuous heating. The thermal expansion of the microfluidic chip was low at the optimal culture temperature of coral polyps, which proves the feasibility of the use of the multivariable microfluidic model for polyp culture and provides a theoretical basis for the actual chip processing.
Disposable Electrochemical Aptasensor Based on Graphene Oxide-DNA Complex as Signal Amplifier towards Ultrasensitive Detection of Ochratoxin A
Authors: Hu Yang , Xie Hanyin , Hu Jiaying , Yang Danting
Published: May 2022

Signal amplification is crucial in developing a reliable disposable screen-printed carbon electrodes (SPCEs)-based biosensor for analyte detection with a narrow detection window. This work demonstrated a novel label-free electrochemical aptasensor based on SPCEs for the ultrasensitive detection of ochratoxin A (OTA). The graphene oxide-DNA (GO-DNA) complex as a signal amplifier with easy preparation was investigated for the first time. The proposed aptasensor based on the SPCEs/GO/cDNA-aptamer/3D-rGO-AuNPs structure was formed through the hybridization of aptamer-linked 3D-rGO/AuNPs and its complementary DNA-linked GO (GO-cDNA). The presence of OTA was discerned by its specific aptamer forming a curled OTA-aptamer complex and releasing the GO-cDNA from the surface of SPCEs. The resulting OTA-aptamer complex hindered interfacial electron transfer on the sensing surface, leading to the decreased peak current. The GO-cDNA further amplified the peak current change. This electrochemical aptasensor showed a low limit of detection of 5 fg/mL as well as good reproducibility with the relative standard deviation (RSD) of 4.38%. Moreover, the detection result of OTA in the rice and oat samples was comparable with that of the enzyme-linked immunosorbent assay (ELISA) kit. In general, the OTA aptasensor used in this work with convenient preparation, low-cost, good selectivity, high sensitivity and acceptable reproducibility can be proposed as a reliable point-of-care (POC) technique for OTA determination.
A Novel Temperature Drift Error Precise Estimation Model for MEMS Accelerometers Using Microstructure Thermal Analysis
Authors: Qi Bing , Shi Shuaishuai , Zhao Lin , Cheng Jianhua
Published: May 2022

Owing to the fact that the conventional Temperature Drift Error (TDE) precise estimation model for a MEMS accelerometer has incomplete Temperature-Correlated Quantities (TCQ) and inaccurate parameter identification to reduce its accuracy and real time, a novel TDE precise estimation model using microstructure thermal analysis is studied. First, TDE is traced precisely by analyzing the MEMS accelerometer’s structural thermal deformation to obtain complete TCQ, ambient temperature T and its square T2, ambient temperature variation ∆T and its square ∆T2, which builds a novel TDE precise estimation model. Second, a Back Propagation Neural Network (BPNN) based on Particle Swarm Optimization plus Genetic Algorithm (PSO-GA-BPNN) is introduced in its accurate parameter identification to avoid the local optimums of the conventional model based on BPNN and enhance its accuracy and real time. Then, the TDE test method is formed by analyzing heat conduction process between MEMS accelerometers and a thermal chamber, and a temperature experiment is designed. The novel model is implemented with TCQ and PSO-GA-BPNN, and its performance is evaluated by Mean Square Error (MSE). At last, the conventional and novel models are compared. Compared with the conventional model, the novel one’s accuracy is improved by 16.01% and its iterations are reduced by 99.86% at maximum. This illustrates that the novel model estimates the TDE of a MEMS accelerometer more precisely to decouple temperature dependence of Si-based material effectively, which enhances its environmental adaptability and expands its application in diverse complex conditions.
Adaptive Layering Algorithm for FDM-3D Printing Based on Optimal Volume Error
Authors: Lv Ning , Ouyang Xuefeng , Qiao Yujing
Published: May 2022

The characteristics of fused deposition 3D printing lead to the inevitable step effect of surface contour in the process of forming and manufacturing, which affects molding accuracy. Traditional layering algorithms cannot take into account both printing time and molding accuracy. In this paper, an adaptive layering algorithm based on the optimal volume error is proposed. The angle between the normal vector and the layering direction is used for data optimization. The layer thickness is determined by calculating the volume error, and based on the principle of the optimal volume error, the unequal thickness adaptive layering of each printing layer of the model is realized. The experimental results show that the self-adaptive layering algorithm based on the optimal volume error has a better layering effect, greatly improves the forming efficiency and surface forming accuracy, and has a good adaptability to models with complex surfaces.
Design Rules for a Wearable Micro-Fabricated Piezo-Resistive Pressure Sensor
Authors: Jafarizadeh Borzooye , Chowdhury Azmal Huda , Khakpour Iman , Pala Nezih , Wang Chunlei
Published: May 2022

Wearable flexible piezo-resistive pressure sensors hold a wide-ranging potential in human health monitoring, electronic skin, robotic limbs, and other human–machine interfaces. Out of the most successful recent efforts for arterial pulse monitoring are sensors with micro-patterned conductive elastomers. However, a low-current output signal (typically in the range of nano-amperes) and bulky and expensive measurement equipment for useful signal acquisition inhibits their wearability. Herein, through a finite element analysis we establish the design rules for a highly sensitive piezo-resistive pressure sensor with an output that is high enough to be detectable by simple and inexpensive circuits and therefore ensure wearability. We also show that, out of four frequently reported micro-feature shapes in micro-patterned piezo-resistive sensors, the micro-dome and micro-pyramid yield the highest sensitivity. Furthermore, investigations of different conductivity values of micro-patterned elastomers found that coating the elastomer with a conductive material (usually metallic) leads to higher current response when compared to composited conductive elastomers. Finally, the geometric parameters and spatial configurations of micro-pyramid design of piezo-resistive sensors were optimized. The results show that an enhanced sensitivity and higher current output is achieved by the lower spatial density configuration of three micro-features per millimeter length, a smaller feature size of around 100 μm, and a 60–50 degrees pyramid angle.
Enhancing Part-to-Part Repeatability of Force-Sensing Resistors Using a Lean Six Sigma Approach
Authors: Garzón-Posada Andrés O. , Paredes-Madrid Leonel , Peña Angela , Fontalvo Victor M. , Palacio Carlos
Published: May 2022

Polymer nanocomposites have found wide acceptance in research applications as pressure sensors under the designation of force-sensing resistors (FSRs). However, given the random dispersion of conductive nanoparticles in the polymer matrix, the sensitivity of FSRs notably differs from one specimen to another; this condition has precluded the use of FSRs in industrial applications that require large part-to-part repeatability. Six Sigma methodology provides a standard framework to reduce the process variability regarding a critical variable. The Six Sigma core is the DMAIC cycle (Define, Measure, Analyze, Improve, and Control). In this study, we have deployed the DMAIC cycle to reduce the process variability of sensor sensitivity, where sensitivity was defined by the rate of change in the output voltage in response to the applied force. It was found that sensor sensitivity could be trimmed by changing their input (driving) voltage. The whole process comprised: characterization of FSR sensitivity, followed by physical modeling that let us identify the underlying physics of FSR variability, and ultimately, a mechanism to reduce it; this process let us enhance the sensors’ part-to-part repeatability from an industrial standpoint. Two mechanisms were explored to reduce the variability in FSR sensitivity. (i) It was found that the output voltage at null force can be used to discard noncompliant sensors that exhibit either too high or too low sensitivity; this observation is a novel contribution from this research. (ii) An alternative method was also proposed and validated that let us trim the sensitivity of FSRs by means of changing the input voltage. This study was carried out from 64 specimens of Interlink FSR402 sensors.
TinyML: Enabling of Inference Deep Learning Models on Ultra-Low-Power IoT Edge Devices for AI Applications
Authors: Alajlan Norah N. , Ibrahim Dina M.
Published: May 2022

Recently, the Internet of Things (IoT) has gained a lot of attention, since IoT devices are placed in various fields. Many of these devices are based on machine learning (ML) models, which render them intelligent and able to make decisions. IoT devices typically have limited resources, which restricts the execution of complex ML models such as deep learning (DL) on them. In addition, connecting IoT devices to the cloud to transfer raw data and perform processing causes delayed system responses, exposes private data and increases communication costs. Therefore, to tackle these issues, there is a new technology called Tiny Machine Learning (TinyML), that has paved the way to meet the challenges of IoT devices. This technology allows processing of the data locally on the device without the need to send it to the cloud. In addition, TinyML permits the inference of ML models, concerning DL models on the device as a Microcontroller that has limited resources. The aim of this paper is to provide an overview of the revolution of TinyML and a review of tinyML studies, wherein the main contribution is to provide an analysis of the type of ML models used in tinyML studies; it also presents the details of datasets and the types and characteristics of the devices with an aim to clarify the state of the art and envision development requirements.
Design of a Magnetically Anchored Laparoscope Using Miniature Ultrasonic Motors
Authors: Li Jingwu , Sun Zhijun , Yan He , Chen Jinyan
Published: May 2022

Images taken by an endoscope in single-port-access surgery are the most important information for directing surgeons to operate, so acquiring images taken at better position and a more desired perspective has profound significance for improving the efficiency and safety of surgery. The magnetically anchored laparoscope can help to realize this goal compared with the traditional laparoscope used in single-port-access surgery. In this paper, we propose the concept of applying ultrasonic motors in the magnetically anchored laparoscope. Two types of ultrasonic motors used for driving the laparoscope, namely a miniature traveling wave-rotating ultrasonic motor and a miniature traveling wave-tilt ultrasonic motor, are designed. The prototype of the magnetically anchored laparoscope using these two types of ultrasonic motors is fabricated and evaluated by experiments. The results show that the maximum output torque of the miniature traveling wave-rotating ultrasonic motor is 1.2 mN·m, and that of the miniature traveling wave-tilt ultrasonic motor is 1.4 mN·m, which is enough to actuate the magnetically anchored laparoscope. Additionally, it is proven that the two designed ultrasonic motors can be applied successfully in the laparoscope.
Editorial for Special Issue “Deep-Sea Ferromanganese Nodules and Related Mineral Resources: Genesis, Exploration, and Mining”
Authors: Machida Shiki , Nakamura Kentaro
Published: May 2022

The development of deep-sea ferromanganese nodules has the potential to provide critical metals for the creation of high-tech and green-tech technologies and devices [...]
Phenolic Constituents, Antioxidant and Cytoprotective Activities, Enzyme Inhibition Abilities of Five Fractions from Vaccinium dunalianum Wight
Authors: Cheng Chang-Shu , Gu Qing-Hui , Zhang Jin-Ke , Tao Jun-Hong , Zhao Tian-Rui , Cao Jian-Xin , Cheng Gui-Guang , Lai Guo-Fang , Liu Ya-Ping
Published: May 2022

The bud of Vaccinium dunalianum Wight has been traditionally consumed as health herbal tea by “Yi” people in Yunnan Province, China, which was locally named “Que Zui tea”. This paper studied the chemical constituents of five fractions from Vaccinium dunalianum, and their enzyme inhibitory effects of α-glucosidase and pancreatic lipase, antioxidant activity, and cytoprotective effects on H2O2-induced oxidative damage in HepG2 cells. The methanol extract of V. dunalianum was successively partitioned with petroleum ether (PF), chloroform (CF), ethyl acetate (EF), n-butanol (BF), and aqueous (WF) to obtain five fractions. The chemical profiling of the five fractions was analyzed by ultra-high-performance liquid chromatography coupled with a tandem mass spectrometry (UHPLC-MS/MS), and 18 compounds were tentatively identified. Compared to PF, CF, BF and WF, the EF revealed the highest total phenols (TPC) and total flavonoids (TFC), and displayed the strongest enzyme inhibition ability (α-glucosidase and pancreatic lipase) and antioxidant capacity (DPPH, ABTS and FRAP). Furthermore, these five fractions, especially EF, could effectively inhibit reactive oxygen species (ROS) production and cell apoptosis on H2O2-induced oxidative damage protection in HepG2 cells. This inhibitory effect might be caused by the up-regulation of intracellular antioxidant enzyme activity (CAT, SOD, and GSH). The flavonoids and phenolic acids of V. dunalianum might be the bioactive substances responsible for enzyme inhibitory, antioxidant, and cytoprotective activities.
Effect of the Instant Controlled Pressure Drop Technology in Cardamom (Elettaria cardamomum) Essential Oil Extraction and Antioxidant Activity
Authors: Teresa-Martínez Giselle Dení , Cardador-Martínez Anaberta , Téllez-Pérez Carmen , Allaf Karim , Jiménez-Martínez Cristian , Alonzo-Macías Maritza
Published: May 2022

Green cardamom (Elettaria cardamomum) is an outspread spice native to Asia, which is well appreciated for its sensory characteristics, delicate aroma, and unique taste. Currently, the main cardamom extracts are essential oils (EOs), and regarding current market tendencies, this market is in high growth. For this reason, technologies such as the instant controlled pressure drop (DIC) have been applied to reach higher yields and better quality of EO. Then, this study explores the impact of DIC as a pretreatment before hydrodistillation (HD) on the EO yield and their antioxidant activity. Obtained results showed that the coupling of DIC-HD increased the yield of essential oil and also had a positive impact on their antioxidant capacity. The EO yield of DIC-HD (140 °C and 30 s) was 4.43% vs. 2.52% for control; the AOX of DIC-HD (165 °C and 30 s) was 86% inhibition vs. 57.02% for control, and the TEAC of DIC-HD (140 °C and 30 s) was 1.44 uMTE/g EO vs. 13.66 uMTE/g EO.
Modulation of Properties by Ion Changing Based on Luminescent Ionic Salts Consisting of Spirobi(boron ketoiminate)
Authors: Suenaga Kazumasa , Ito Shunichiro , Tanaka Kazuo , Chujo Yoshiki
Published: May 2022

We report development of luminescent ionic salts consisting of the boron ketoiminate structure, which is one of the robust skeletons for expressing aggregation-induced emission (AIE) properties. From the formation of the boron-centered spiro structure with the ketoiminate ligands, we obtained stable ionic salts with variable anions. Since the ionic salts show Tms below 100 °C, it was shown that these salts can be classified as an ionic liquid. By using PF6 anion, the single crystal—which is applicable for X-ray crystallography—was obtained. According to the optical measurements, it was proposed that electronic interaction should occur through the boron center. Moreover, intense emission was observed both in solution and solid. Finally, we demonstrated that the emission color of the PF6 salt was altered from crystal to amorphous by adding mechanical forces. Based on boron complexation and intrinsic solid-state luminescent characters, we achieved obtainment of emissive ionic materials with environmental responsivity.
Borylated 2,3,4,5-Tetrachlorophthalimide and Their 2,3,4,5-Tetrachlorobenzamide Analogues: Synthesis, Their Glycosidase Inhibition and Anticancer Properties in View to Boron Neutron Capture Therapy
Authors: Campkin David M. , Shimadate Yuna , Bartholomew Barbara , Bernhardt Paul V. , Nash Robert J. , Sakoff Jennette A. , Kato Atsushi , Simone Michela I.
Published: May 2022

Tetrachlorinated phthalimide analogues bearing a boron-pinacolate ester group were synthesised via two synthetic routes and evaluated in their glycosidase modulating and anticancer properties, with a view to use them in boron neutron capture therapy (BNCT), a promising radiation type for cancer, as this therapy does little damage to biological tissue. An unexpected decarbonylation/decarboxylation to five 2,3,4,5-tetrachlorobenzamides was observed and confirmed by X-ray crystallography studies, thus, giving access to a family of borylated 2,3,4,5-tetrachlorobenzamides. Biological evaluation showed the benzamide drugs to possess good to weak potencies (74.7–870 μM) in the inhibition of glycosidases, and to have good to moderate selectivity in the inhibition of a panel of 18 glycosidases. Furthermore, in the inhibition of selected glycosidases, there is a core subset of three animal glycosidases, which is always inhibited (rat intestinal maltase α-glucosidase, bovine liver β-glucosidase and β-galactosidase). This could indicate the involvement of the boron atom in the binding. These glycosidases are targeted for the management of diabetes, viral infections (via a broad-spectrum approach) and lysosomal storage disorders. Assays against cancer cell lines revealed potency in growth inhibition for three molecules, and selectivity for one of these molecules, with the growth of the normal cell line MCF10A not being affected by this compound. One of these molecules showed both potency and selectivity; thus, it is a candidate for further study in this area. This paper provides numerous novel aspects, including expedited access to borylated 2,3,4,5-tetrachlorophthalimides and to 2,3,4,5-tetrachlorobenzamides. The latter constitutes a novel family of glycosidase modulating drugs. Furthermore, a greener synthetic access to such structures is described.
Phytochemistry, Bioactivities and Traditional Uses of Michelia × alba
Authors: Cheng Kian-Kai , Nadri Muhammad Helmi , Othman Nor Zalina , Rashid Siti Nor Azlina Abd , Lim Ying-Chin , Leong Hong-Yeng
Published: May 2022

Michelia × alba (M. alba) is a flowering tree best known for its essential oil, which has long been used as a fragrance ingredient for perfume and cosmetics. In addition, the plant has been used in traditional medicine in Asia and dates back hundreds of years. To date, there is a limited number of publications on the bioactivities of M. alba, which focused on its tyrosinase inhibition, antimicrobial, antidiabetic, anti-inflammatory, and antioxidant activities. Nevertheless, M. alba may have additional unexplored bioactivities associated with its bioactive compounds such as linalool (72.8% in flower oil and 80.1% in leaf oil), α-terpineol (6.04% flower oil), phenylethyl alcohol (2.58% flower oil), β-pinene (2.39% flower oil), and geraniol (1.23% flower oil). Notably, these compounds have previously been reported to exhibit therapeutic activities such as anti-cancer, anti-inflammation, anti-depression, anti-ulcer, anti-hypertriglyceridemia, and anti-hypertensive activities. In this review paper, we examine and discuss the scientific evidence on the phytochemistry, bioactivities, and traditional uses of M. alba. Here, we report a total of 168 M. alba biological compounds and highlight the therapeutic potential of its key bioactive compounds. This review may provide insights into the therapeutic potential of M. alba and its biologically active components for the prevention and treatment of diseases and management of human health and wellness.
Discovery of Dipyridamole Analogues with Enhanced Metabolic Stability for the Treatment of Idiopathic Pulmonary Fibrosis
Authors: Huang Meng-Xing , Chen Yan-Quan , Liu Run-Duo , Huang Yue , Zhang Chen
Published: May 2022

Dipyridamole, apart from its well-known antiplatelet and phosphodiesterase inhibitory activities, is a promising old drug for the treatment of pulmonary fibrosis. However, dipyridamole shows poor pharmacokinetic properties with a half-life (T1/2) of 7 min in rat liver microsomes (RLM). To improve the metabolic stability of dipyridamole, a series of pyrimidopyrimidine derivatives have been designed with the assistance of molecular docking. Among all the twenty-four synthesized compounds, compound (S)-4h showed outstanding metabolic stability (T1/2 = 67 min) in RLM, with an IC50 of 332 nM against PDE5. Furthermore, some interesting structure–activity relationships (SAR) were explained with the assistance of molecular docking.
A Mini-Review on Solid Lipid Nanoparticles and Nanostructured Lipid Carriers: Topical Delivery of Phytochemicals for the Treatment of Acne Vulgaris
Authors: Chutoprapat Romchat , Kopongpanich Peerawas , Chan Lai Wah
Published: May 2022

Acne vulgaris (acne) is one of the most common dermatological problems affecting adolescents and young adults. Although acne may not lead to serious medical complications, its psychosocial effects are tremendous and scientifically proven. The first-line treatment for acne is topical medications composed of synthetic compounds, which usually cause skin irritation, dryness and itch. Therefore, naturally occurring constituents from plants (phytochemicals), which are generally regarded as safe, have received much attention as an alternative source of treatment. However, the degradation of phytochemicals under high temperature, light and oxygen, and their poor penetration across the skin barrier limit their application in dermatology. Encapsulation in lipid nanoparticles is one of the strategies commonly used to deliver drugs and phytochemicals because it allows appropriate concentrations of these substances to be delivered to the site of action with minimal side effects. Solid lipid nanoparticles (SLNs) and nanostructured lipid carriers (NLCs) are promising delivery systems developed from the combination of lipid and emulsifier. They have numerous advantages that include biocompatibility and biodegradability of lipid materials, enhancement of drug solubility and stability, ease of modulation of drug release, ease of scale-up, feasibility of incorporation of both hydrophilic and lipophilic drugs and occlusive moisturization, which make them very attractive carriers for delivery of bioactive compounds for treating skin ailments such as acne. In this review, the concepts of SLNs and NLCs, methods of preparation, characterization, and their application in the encapsulation of anti-acne phytochemicals will be discussed.
Traditional Uses, Phytochemistry and Pharmacological Activities of Annonacae
Authors: Al Kazman Bassam S. M. , Harnett Joanna E. , Hanrahan Jane R.
Published: May 2022

In 1789, the Annonaceae family was catalogued by de Jussieu. It encompasses tropical and subtropical plants which are widespread in distribution across various continents such as Asia, South and Central America, Australia and Africa. The genus of Annona is one of 120 genera of the Annonaceae family and contains more than 119 species of trees and shrubs. Most species are found in tropical America, where over 105 species have been identified. Due to its edible fruits and medicinal properties, Annona is the most studied genus of Annonaceae family. To date, only a limited number of these species have economic value, including A. squamosa L. (sugar apple), A. cherimola Mill. (Cherimoya), A. muricata L. (guanabana or soursop), A. atemoya Mabb. (atemoya), a hybrid between A. cherimola and A. squamosa, A. reticulata L. (custard apple), A. glabra L. (pond-apple) and A. macroprophyllata Donn. Sm. (ilama). Phytochemically, several classes of secondary metabolites, including acetogenins, essential oils, alkaloids, terpenoids and flavonoids. The pharmacological activities of Annona species leaves and seeds include antibacterial, anticancer, antidiabetic and anti-inflammatory properties.
Minimal Active Space for Diradicals Using Multistate Density Functional Theory
Authors: Han Jingting , Zhao Ruoqi , Guo Yujie , Qu Zexing , Gao Jiali
Published: May 2022

This work explores the electronic structure as well as the reactivity of singlet diradicals, making use of multistate density functional theory (MSDFT). In particular, we show that a minimal active space of two electrons in two orbitals is adequate to treat the relative energies of the singlet and triplet adiabatic ground state as well as the first singlet excited state in many cases. This is plausible because dynamic correlation is included in the first place in the optimization of orbitals in each determinant state via block-localized Kohn–Sham density functional theory. In addition, molecular fragment, i.e., block-localized Kohn–Sham orbitals, are optimized separately for each determinant, providing a variational diabatic representation of valence bond-like states, which are subsequently used in nonorthogonal state interactions (NOSIs). The computational procedure and its performance are illustrated on some prototypical diradical species. It is shown that NOSI calculations in MSDFT can be used to model bond dissociation and hydrogen-atom transfer reactions, employing a minimal number of configuration state functions as the basis states. For p- and s-types of diradicals, the closed-shell diradicals are found to be more reactive than the open-shell ones due to a larger diabatic coupling with the final product state. Such a diabatic representation may be useful to define reaction coordinates for electron transfer, proton transfer and coupled electron and proton transfer reactions in condensed-phase simulations.
Rapid Screening of Lipase Inhibitors in Scutellaria baicalensis by Using Porcine Pancreatic Lipase Immobilized on Magnetic Core–Shell Metal–Organic Frameworks
Authors: Xu Jinfang , Cao Pengkun , Fan Zhiyu , Luo Xujing , Yang Gangqiang , Qu Tingli , Gao Jianping
Published: May 2022

As for ligand fishing, the current immobilization approaches have some potential drawbacks such as the small protein loading capacity and difficult recycle process. The core–shell metal–organic frameworks composite (Fe3O4-COOH@UiO-66-NH2), which exhibited both magnetic characteristics and large specific surface area, was herein fabricated and used as magnetic support for the covalent immobilization of porcine pancreatic lipase (PPL). The resultant composite Fe3O4-COOH@UiO-66-NH2@PPL manifested a high loading capacity (247.8 mg/g) and relative activity recovery (101.5%). In addition, PPL exhibited enhanced tolerance to temperature and pH after immobilization. Then, the composite Fe3O4-COOH@UiO-66-NH2@PPL was incubated with the extract of Scutellaria baicalensis to fish out the ligands. Eight lipase inhibitors were obtained and identified by UPLC-Q-TOF-MS/MS. The feasibility of the method was further confirmed through an in vitro inhibitory assay and molecular docking. The proposed ligand fishing technique based on Fe3O4-COOH@UiO-66-NH2@PPL provided a feasible, selective, and effective platform for discovering enzyme inhibitors from natural products.
Effects of Saignée and Bentonite Treatment on Phenolic Compounds of Marquette Red Wines
Authors: Cheng Yiliang , Watrelot Aude A.
Published: May 2022

To improve the phenolic extraction and color stability of red wine made from cold-hardy grapes, two winemaking practices, saignée and bentonite, were applied separately and in combination on Marquette grapes at crushing. The effects of these winemaking strategies on Marquette wine’s basic chemical properties, monomeric and polymeric phenolic compounds were studied, as well as the development of color characteristics from crushing to 5 months of aging. The saignée (9% juice run-off) treatment showed little impact on the phenolic content of the finished wine, but showed an increase in color intensity. A hue shift towards an orange-yellow tone was observed in the bentonite-treated wines, which was associated with a loss of monomeric anthocyanins. The combination of saignée and bentonite showed less impact on removing anthocyanins and wine color, and increased phenolics content, therefore improving the extraction of non-anthocyanins monomeric phenolics. Although this combination treatment led to the highest concentration of tannin content after pressing, this difference between the control and other treatments disappeared over time. These results suggested that the interactions between tannins and other wine compounds still occur after removing proteins in Marquette wines.
Basic Substances, a Sustainable Tool to Complement and Eventually Replace Synthetic Pesticides in the Management of Pre and Postharvest Diseases: Reviewed Instructions for Users
Authors: Romanazzi Gianfranco , Orçonneau Yann , Moumni Marwa , Davillerd Yann , Marchand Patrice André
Published: May 2022

Synthetic pesticides are widely used to protect crops from pathogens and pests, especially for fruits and vegetables, and this may lead to the presence of residues on fresh produce. Improving the sustainability of agriculture and, at the same time, reducing the adverse effects of synthetic pesticides on human health requires effective alternatives that improve the productivity while maintaining the food quality and safety. Moreover, retailers increasingly request fresh produce with the amounts of pesticides largely below the official maximum residue levels. Basic substances are relatively novel compounds that can be used in plant protection without neurotoxic or immune-toxic effects and are still poorly known by phytosanitary consultants (plant doctors), researchers, growers, consumers, and decision makers. The focus of this review is to provide updated information about 24 basic substances currently approved in the EU and to summarize in a single document their properties and instructions for users. Most of these substances have a fungicidal activity (calcium hydroxide, chitosan, chitosan hydrochloride, Equisetum arvense L., hydrogen peroxide, lecithins, cow milk, mustard seed powder, Salix spp., sunflower oil, sodium chloride, sodium hydrogen carbonate, Urtica spp., vinegar, and whey). Considering the increasing requests from consumers of fruits and vegetables for high quality with no or a reduced amount of pesticide residues, basic substances can complement and, at times, replace the application of synthetic pesticides with benefits for users and for consumers. Large-scale trials are important to design the best dosage and strategies for the application of basic substances against pathogens and pests in different growing environments and contexts.
Proapoptotic Effect and Molecular Docking Analysis of Curcumin–Resveratrol Hybrids in Colorectal Cancer Chemoprevention
Authors: Moreno-Q Gustavo , Herrera-R Angie , Yepes Andres F. , Naranjo Tonny W. , Cardona-G Wilson
Published: May 2022

Different hybrids based on curcumin and resveratrol were previously synthesized and characterized by spectroscopic techniques. The most active molecules (3a, 3e, 3i, and 3k) were evaluated in vitro as an approach to determine the possible mechanism of action of the hybrids. The results indicated that the evaluated curcumin/resveratrol hybrids induce mitochondrial instability in SW620 and SW480 cells. Moreover, these molecules caused a loss in membrane integrity, suggesting an apoptotic process mediated by caspases after the treatment with compounds 3i (SW480) and 3k (SW620). In addition, the results suggest that the mechanism of action of the hybrids could be independent of the p53 status. Furthermore, hybrids 3e and 3i caused G0/G1 phase arrest, which highlights the potential of these molecules not only as cytotoxic but also as cytostatic compounds. Hybrids 3e and 3i caused a negative modulation of the matrix metalloproteinase 7 (MMP7) on SW480 cells. These curcumin resveratrol hybrids could be potential candidates for further investigations in the search for potential chemopreventive agents, even in those cases with resistance to conventional chemotherapy because of the lack of p53 expression or function. Molecular docking simulations showed that compounds 3e, 3i, and 3k bind efficiently to proapoptotic human caspases 3/7 proteins, as well as human MMP-7 and p53, which, in turn, could explain at the molecular level the in vitro cytotoxic effect of these compounds in SW480 and SW620 colon cancer cell lines.
Essential Oil from Eucalyptus globulus (Labill.) Activates Complement Receptor-Mediated Phagocytosis and Stimulates Podosome Formation in Human Monocyte-Derived Macrophages
Authors: Zonfrillo Manuela , Andreola Federica , Krasnowska Ewa K. , Sferrazza Gianluca , Pierimarchi Pasquale , Serafino Annalucia
Published: May 2022

Eucalyptus essential oil and its major constituent eucalyptol are extensively employed in the cosmetic, food, and pharmaceutical industries and their clinical use has recently expanded worldwide as an adjuvant in the treatment of infective and inflammatory diseases. We previously demonstrated that essential oil from Eucalyptus globulus (Labill.) (EO) stimulates in vitro the phagocytic activity of human monocyte-derived macrophages and counteracts the myelotoxicity induced by the chemotherapeutic 5-fluorouracil in immunocompetent rats. Here we characterize some mechanistic aspects underlying the immunostimulatory ability exerted by EO on macrophages. The internalization of fluorescent beads, fluorescent zymosan BioParticles, or apoptotic cancer cells was evaluated by confocal microscopy. Pro-inflammatory cytokine and chemokine release was determined by flow cytometry using the BD cytometric bead array. Receptor involvement in EO-stimulated phagocytosis was assessed using complement- or IgG-opsonized zymosan particles. The localization and expression of podosome components was analyzed by confocal microscopy and western blot. The main results demonstrated that: EO-induced activation of a macrophage is ascribable to its major component eucalyptol, as recently demonstrated for other cells of innate immunity; EO implements pathogen internalization and clearance by stimulating the complement receptor-mediated phagocytosis; EO stimulates podosome formation and increases the expression of podosome components. These results confirm that EO extract is a potent activator of innate cell-mediated immunity and thereby increase the scientific evidence supporting an additional property of this plant extract besides the known antiseptic and anti-inflammatory properties.
An Update on Advancements and Challenges in Inhalational Drug Delivery for Pulmonary Arterial Hypertension
Authors: Agnihotri Vinit , Agrawal Yogeeta , Goyal Sameer , Sharma Charu , Ojha Shreesh
Published: May 2022

A lethal condition at the arterial–alveolar juncture caused the exhaustive remodeling of pulmonary arterioles and persistent vasoconstriction, followed by a cumulative augmentation of resistance at the pulmonary vascular and, consequently, right-heart collapse. The selective dilation of the pulmonary endothelium and remodeled vasculature can be achieved by using targeted drug delivery in PAH. Although 12 therapeutics were approved by the FDA for PAH, because of traditional non-specific targeting, they suffered from inconsistent drug release. Despite available inhalation delivery platforms, drug particle deposition into the microenvironment of the pulmonary vasculature and the consequent efficacy of molecules are influenced by pathophysiological conditions, the characteristics of aerosolized mist, and formulations. Uncertainty exists in peripheral hemodynamics outside the pulmonary vasculature and extra-pulmonary side effects, which may be further exacerbated by underlying disease states. The speedy improvement of arterial pressure is possible via the inhalation route because it has direct access to pulmonary arterioles. Additionally, closed particle deposition and accumulation in diseased tissues benefit the restoration of remolded arterioles by reducing fallacious drug deposition in other organs. This review is designed to decipher the pathological changes that should be taken into account when targeting the underlying pulmonary endothelial vasculature, especially with regard to inhaled particle deposition in the alveolar vasculature and characteristic formulations.
Fabrication and Characterization of a Self-Powered n-Bi2Se3/p-Si Nanowire Bulk Heterojunction Broadband Photodetector
Authors: Wang Xuan , Tang Yehua , Wang Wanping , Zhao Hao , Song Yanling , Kang Chaoyang , Wang Kefan
Published: May 2022

In the present study, vacuum evaporation method is used to deposit Bi2Se3 film onto Si nanowires (NWs) to form bulk heterojunction for the first time. Its photodetector is self-powered, its detection wavelength ranges from 390 nm to 1700 nm and its responsivity reaches its highest value of 84.3 mA/W at 390 nm. In comparison to other Bi2Se3/Si photodetectors previously reported, its infrared detection length is the second longest and its response speed is the third fastest. Before the fabrication of the photodetector, we optimized the growth parameter of the Bi2Se3 film and the best Bi2Se3 film with atomic steps could finally be achieved. The electrical property measurement conducted by the physical property measurement system (PPMS) showed that the grown Bi2Se3 film was n-type conductive and had unique topological insulator properties, such as a metallic state, weak anti-localization (WAL) and linear magnetic resistance (LMR). Subsequently, we fabricated Si NWs by the metal-assisted chemical etching (MACE) method. The interspace between Si NWs and the height of Si NWs could be tuned by Ag deposition and chemical etching times, respectively. Finally, Si NWs fabricated with the Ag deposition time of 60 s and the etching time of 10 min was covered by the best Bi2Se3 film to be processed for the photodetector. The primary n-Bi2Se3/p-Si NWs photodetector that we fabricated can work in a self-powered mode and it has a broadband detection range and fast response speed, which indicates that it can serve as a promising silicon-based near- and mid-infrared photodetector.