bluuebunny/crossref_metadata_2025 huggingface dataset:
A Two-Step Polynomial and Nonlinear Growth Approach for Modeling COVID-19 Cases in Mexico
Authors: Pérez Abreu C. Rafael , Estrada Samantha , de-la-Torre-Gutiérrez Héctor
Published: September 2021

Since December 2019, the novel coronavirus (SARS-CoV-2) and its associated illness COVID-19 have rapidly spread worldwide. The Mexican government has implemented public safety measures to minimize the spread of the virus. In this paper, we used statistical models in two stages to estimate the total number of coronavirus (COVID-19) cases per day at the state and national levels in Mexico. In this paper, we propose two types of models. First, a polynomial model of the growth for the first part of the outbreak until the inflection point of the pandemic curve and then a second nonlinear growth model used to estimate the middle and the end of the outbreak. Model selection was performed using Vuong’s test. The proposed models showed overall fit similar to predictive models (e.g., time series and machine learning); however, the interpretation of parameters is simpler for decisionmakers, and the residuals follow the expected distribution when fitting the models without autocorrelation being an issue.
Some Notes on a Formal Algebraic Structure of Cryptology
Authors: Jara-Vera Vicente , Sánchez-Ávila Carmen
Published: September 2021

Cryptology, since its advent as an art, art of secret writing, has slowly evolved and changed, above all since the middle of the last century. It has gone on to obtain a more solid rank as an applied mathematical science. We want to propose some annotations in this regard in this paper. To do this, and after reviewing the broad spectrum of methods and systems throughout history, and from the traditional classification, we offer a reordering in a more compact and complete way by placing the cryptographic diversity from the algebraic binary relations. This foundation of cryptological operations from the principles of algebra is enriched by adding what we call pre-cryptological operations which we show as a necessary complement to the entire structure of cryptology. From this framework, we believe that it is improved the diversity of questions related to the meaning, the fundamentals, the statute itself, and the possibilities of cryptological science.
Numerical Simulation of Natural Gas Hydrate Exploitation in Complex Structure Wells: Productivity Improvement Analysis
Authors: Ye Hongyu , Wu Xuezhen , Li Dayong
Published: September 2021

About 90% of the world’s natural gas hydrates (NGH) exist in deep-sea formations, a new energy source with great potential for exploitation. There is distance from the threshold of commercial exploitation based on the single well currently used. The complex structure well is an efficient and advanced drilling technology. The improvement of NGH productivity through various complex structure wells is unclear, and there is no more complete combing. Thus, in order to evaluate their gas production characteristics, we establish a mathematical model for exploitation of NGH, and then 13 sets of numerical models based on the geological parameters of the Nankai Trough in Japan are developed and designed, including a single vertical well, a single horizontal well, 1~4 branch vertical wells, 1~4 branch horizontal wells, and 2~4 branch cluster horizontal wells. The research results indicate that wells with complex structures represented by directional wells and multilateral wells can significantly increase the area of water and gas discharge, especially cluster wells, whose productivity can be increased by up to 2.2 times compared with single wells. Complex structural wells will play an irreplaceable role in the future industrialization of NGH.
Seaweeds and Their Natural Products for Preventing Cardiovascular Associated Dysfunction
Authors: Ryu Bomi , Kim Young-Sang , Jeon You-Jin
Published: September 2021

Cardiovascular disease (CVD), which involves the onset and exacerbation of various conditions including dyslipidemia, activation of the renin–angiotensin system, vascular endothelial cell damage, and oxidative stress, is a leading cause of high mortality rates and accounts for one-third of deaths worldwide. Accordingly, as dietary changes in daily life are thought to greatly reduce the prevalence of CVD, numerous studies have been conducted to examine the potential use of foods and their bioactive components for preventing and treating CVD. In particular, seaweeds contain unique bioactive metabolites that are not found in terrestrial plants because of the harsh environment in which they survive, leading to in vitro and in vivo studies of their prevention and treatment effects. This review summarizes studies that focused on the beneficial effects of seaweeds and their natural products targeting markers involved in a cascade of mechanisms related to CVD pathogenesis. The purpose of this review is to describe the potential of seaweeds and their natural products for preventing and treating CVD based on in vivo and in vitro studies. This review provides a basis for future research in the field of marine drugs.
Structure of the 4-O-[1-Carboxyethyl]-d-Mannose-Containing O-Specific Polysaccharide of a Halophilic Bacterium Salinivibrio sp. EG9S8QL
Authors: Sigida Elena N. , Ibrahim Ibrahim M. , Kokoulin Maxim S. , Abulreesh Hussein H. , Elbanna Khaled , Konnova Svetlana A. , Fedonenko Yulia P.
Published: September 2021

The moderately halophilic strain Salinivibrio sp. EG9S8QL was isolated among 11 halophilic strains from saline mud (Emisal Salt Company, Lake Qarun, Fayoum, Egypt). The lipopolysaccharide was extracted from dried cells of Salinivibrio sp. EG9S8QL by the phenol–water procedure. The OPS was obtained by mild acid hydrolysis of the lipopolysaccharide and was studied by sugar analysis along with 1H and 13C NMR spectroscopy, including 1H,1H COSY, TOCSY, ROESY, 1H,13C HSQC, and HMBC experiments. The OPS was found to be composed of linear tetrasaccharide repeating units of the following structure: →2)-β-Manp4Lac-(1→3)-α-ManpNAc-(1→3)-β-Rhap-(1→4)-α-GlcpNAc-(1→, where Manp4Lac is 4-O-[1-carboxyethyl]mannose.
DLC-Coated Ferroelectric Membranes as Vascular Patches: Physico-Chemical Properties and Biocompatibility
Authors: Yuriev Yuri , Goreninskii Semen , Runts Artem , Prosetskaya Elisaveta , Plotnikov Evgenii , Shishkova Darya , Kudryavtseva Yulia , Bolbasov Evgeny
Published: September 2021

In this paper, the results on the fabrication of ferroelectric membranes as vascular patches with modified surfaces are presented. For the modification of a membrane surface contacting blood, DLC coating was deposited using the pulsed vacuum arc deposition technique. The physico-chemical properties and cytotoxicity of the membranes modified under various conditions were studied. It was found that DLC coatings do not affect membrane microstructure, preserving its crystal structure as well as its high strength and elongation. It was revealed that an increase in the capacitor storage voltage results in the rise in sp2- and sp-hybridized carbon concentration, which makes it possible to control the chemical structure and surface energy of the modified surface. The experiments with 3T3L1 fibroblasts showed no toxic effects of the materials extracts.
Preparation of Cu-Cr-Zr Alloy by Laser Powder Bed Fusion: Parameter Optimization, Microstructure, Mechanical and Thermal Properties for Microelectronic Applications
Authors: Fang Xiangyao , Xia Weisheng , Wei Qingsong , Wu Yiping , Lv Weiwen , Guo Wentao
Published: September 2021

Laser powder bed fusion (LPBF) technology is beneficial for the fabrication of thermal conductive materials, integrating with the predesigned structure, which shows a great potential for high heat dissipation applications. Here, a Cu–Cr–Zr alloy with relative density of 98.53% is successfully prepared by LPBF after process optimization. On this basis, microstructure, phase identification, precipitates, mechanical and thermal properties are investigated. The results demonstrate that the surface morphology of microstructure is affected by laser energy density, the α-Cu is the main phase of the LPBF sample and the virgin powder, the size of Cr spherical precipitates in some areas is about 1 μm, and the tensile fracture mode is a mixed ductile–brittle mode. Furthermore, the Vickers hardness of the LPBF Cu–Cr–Zr sample is 70.7 HV to 106.1 HV, which is higher than that of LPBF Cu and a wrought C11000 Cu, and the difference in Vickers hardness of different planes reflects the anisotropy. Ultimately, the two types of Cu–Cr–Zr alloy heat sinks are successfully fabricated, and their heat transfer coefficients are positively correlated with the volume flow. The heat dissipation performance of the cylindrical micro-needle heat sink is better, and its maximum heat transfer coefficient is 3887 W/(m2·K).
Effect of Semi-Solid Processing on the Microstructure and Mechanical Properties of Aluminum Alloy Chips with Eutectic Mg2Si Intermetallics
Authors: Son Yong Guk , Jung Sung Soo , Park Yong Ho , Lee Young Cheol
Published: September 2021

This study reports the microstructural changes and mechanical properties of high-strength aluminum alloy chips prepared in the semi-solid state at different temperatures, pressures, and holding times. In semi-solid processes, these processing parameters must be optimized because they affect the microstructure and mechanical properties of the chips. In microstructural analysis, these parameters clearly influenced the spheroidization of the aluminum matrix. The aluminum matrix was uniformly spheroidized after semi-solid processing, and the densities of the final samples increased with the holding time. After 30 min holding time at a given temperature, the density approached the theoretical density, but the compressive strength of the samples seriously deteriorated. Meanwhile, fracture surface investigation revealed a deformed Mg2Si phase, which is formed through a eutectic reaction. The strength of this phase significantly decreased after increasing the holding time of the semi-solid processing from 10 to 30 min. Therefore, deformation of the Mg2Si phase caused by diffusion of aluminum into this phase can be a key factor for the decrease in the mechanical properties of samples fabricated with 30 min holding time.
Metrology: A New Open Access Journal with a Broad Scope and an Exciting Mission
Authors: Haitjema Han
Published: September 2021

It is with sincere pleasure that we welcome you to the inaugural issue of Metrology [...]
Neutrally Buoyant Particle Migration in Poiseuille Flow Driven by Pulsatile Velocity
Authors: Huang Lizhong , Du Jiayou , Zhu Zefei
Published: September 2021

A neutrally buoyant circular particle migration in two-dimensional (2D) Poiseuille channel flow driven by pulsatile velocity is numerical studied by using immersed boundary-lattice Boltzmann method (IB-LBM). The effects of Reynolds number (25≤Re≤200) and blockage ratio (0.15≤k≤0.40) on particle migration driven by pulsatile and non-pulsatile velocity are all numerically investigated for comparison. The results show that, different from non-pulsatile cases, the particle will migrate back to channel centerline with underdamped oscillation during the time period with zero-velocity in pulsatile cases. The maximum lateral travel distance of the particle in one cycle of periodic motion will increase with increasing Re, while k has little impact. The quasi frequency of such oscillation has almost no business with Re and k. Moreover, Re plays an essential role in the damping ratio. Pulsatile flow field is ubiquitous in aorta and other arteries. This article is conducive to understanding nanoparticle migration in those arteries.
Feasibility of a Combined Mobile-Health Electrocardiographic and Rapid Diagnostic Test Screening for Chagas-Related Cardiac Alterations
Authors: Spinicci Michele , Fumagalli Carlo , Maurizi Niccolò , Guglielmi Enrico , Roselli Mimmo , Gamboa Herlan , Strohmeyer Marianne , Poma Veronica , Vargas Roberto , Olivotto Iacopo , Bartoloni Alessandro
Published: September 2021

Background: Chronic Chagas cardiomyopathy (CChC) is the most common cause of death related to Chagas disease (CD). The aim of this study was to assess the feasibility of a combined rapid diagnostic test (RDT) and electrocardiographic (ECG) screening in a remote rural village of the Bolivian Chaco, with a high prevalence of CChC. Methods: Consecutive healthy volunteers > 15 years were enrolled in the community of Palmarito (municipality of Gutierrez, Santa Cruz Department, Bolivia) in February 2019. All patients performed an RDT with Chagas Stat-Pak® (CSP, Chembio Diagnostic System, Medford, NY, USA) and an ECG by D-Heart® technology, a low-cost, user-friendly smartphone-based 8-lead Bluetooth ECG. RDTs were read locally while ECGs were sent to a cardiology clinic which transmitted reports within 24 h from recording. Results: Among 140 people (54 men, median age 38(interquartile range 23–54) years), 98 (70%) were positive for Trypanosoma cruzi infection, with a linear, age-dependent, increasing trend (p < 0.001). Twenty-five (18%) individuals showed ECG abnormalities compatible with CD. Prevalence of ECG abnormalities was higher in infected individuals and was associated with higher systolic blood pressure and smoking. Following screening, 22 (16%) individuals underwent clinical evaluation and chest X-ray and two were referred for further evaluation. At multivariate analysis, positive CSP results (OR = 4.75, 95%CI 1.08–20.96, p = 0.039) and smoking (OR = 4.20, 95%CI 1.18–14.92, p = 0.027) were independent predictors of ECG abnormalities. Overall cost for screening implementation was <10 $. Conclusions: Combined mobile-Health and RDTs was a reliable and effective low-cost strategy to identify patients at high risk of disease needing cardiologic assessment suggesting potential future applications.
The Vitamin D, IL-6 and the eGFR Markers a Possible Way to Elucidate the Lung–Heart–Kidney Cross-Talk in COVID-19 Disease: A Foregone Conclusion
Authors: Balzanelli Mario Giosuè , Distratis Pietro , Lazzaro Rita , Cefalo Angelo , Catucci Orazio , Aityan Sergey Khachatur , Dipalma Gianna , Vimercati Luigi , Inchingolo Alessio Danilo , Maggiore Maria Elena , Mancini Antonio , Santacroce Luigi , Gesualdo Loreto , Pham Van Hung , Iacobone Donatello , Contaldo Maria , Serpico Rosario , Scarano Antonio , Lorusso Felice , Toai Tran Cong , Tafuri Silvio , Migliore Giovanni , Inchingolo Angelo Michele , Nguyen Kieu Cao Diem , Inchingolo Francesco , Tomassone Diego , Gargiulo Isacco Ciro
Published: September 2021

Background: Based on recent findings, we speculated the existence of the lung, heart, and kidney axis as the main pathway for the COVID-19 disease progression. Methods: This paper reports on an observational study conducted by a team of researchers and doctors of the 118-Pre-Hospital and Emergency Department of SG Moscati of Taranto City in Italy. The study was conducted on a totality of 185 participants that were divided into three groups. The study group included COVID-19 affected patients (PP n = 80), the first control group included patients with different pathologies (non-COVID-19 NNp n = 62) of the SG Moscati Hospital, and the second control group included healthy individuals (NNh n = 43). The core of the current trial was focused on assessing the level of the vitamin D (serum 25(OH) D concentration), IL-6, and the renal glomerular filtrate (eGFR) in COVID-19 disease and non-COVID-19 patients in both groups. Results: It was observed that the majority of COVID-19-infected patients showed a progressive multi-organ involvement, especially in regard to the lung, kidney, and heart. The majority of the COVID-19 patients exhibited preexisting comorbidities which include cardiovascular, respiratory, and renal disorders accompanied by a severely low level of vitamin D, extremely high level of IL-6, and low glomerular filtration rate (eGFR). The significant overall damages exerted by the immune-mediated responses under the hyper-expression of proinflammatory cytokines and interleukins, such as IL-6, may be facilitated by either a decreased level of vitamin D or the ageing process. The reduced presence of vitamin D was often found together with a reduced functionality of renal activity, as revealed by the low eGFR, and both were seen to be concomitant with an increased mortality risk in patients with lung disorders and heart failure (HF), whether it is showed at baseline or it develops during manifestation of COVID-19. Therefore, the documentation of the modifiable risk factors related to SARS-CoV-2 and lung impairment in older patients with kidney and heart disease may help the clinician to better manage the situation. Conclusions: This paper addresses how a low level of vitamin D and older age may be indicative of systemic worsening in patients with COVID-19, with a goal of providing a broader context in which to view a better therapeutic approach.
Response and Dynamic Change of Microbial Community during Bioremediation of Uranium Tailings by Bacillus sp.
Authors: Tang Chuiyun , Zhong Juan , Lv Ying , Liu Xingyu , Li Yongbin , Zhang Mingjiang , Yan Xiao , Sun Weimin
Published: September 2021

Bacillus sp. is widely used in the remediation of uranium-contaminated sites. However, little is known about the competitive process of microbial community in the environment during bioremediation. The bioremediation of uranium tailings using Bacillus sp. was explored, and the bacterial community was analyzed by high-throughput sequencing at different stages of remediation. Bacillus sp. reduced the leaching of uranium from uranium tailings. The lowest uranium concentration was 17.25 μg/L. Alpha diversity revealed that the abundance and diversity of microorganisms increased with the extension of the culture time. The microbial abundance and diversity were higher in the treatment group than in the control group. The dominant species at the phyla level were Firmicutes and Proteobacteria in the uranium tailings environment, whereas the phylum of Proteobacteria was significantly increased in the treatment group. Based on the genus level, the proportions of Arthrobacter, Rhodococcus and Paenarthrobacter decreased significantly, whereas those of Clostridium sp., Bacillus and Pseudomonas increased dramatically. Hence, the remediation of uranium contamination in the environment was due to the functional microorganisms, which gradually became the dominant strain in the treatment, such as Desulfotomaculum, Desulfosporporosinus, Anaerocolumna, Ruminiclostridium and Burkholderia. These findings provided a promising outlook of the potential for remediation strategies of soil contaminated by uranium. The dynamic characteristics of the microbial community are likely to provide a foundation for the bioremediation process in practice.
Rutile and Chlorite Geochemistry Constraints on the Formation of the Tuwu Porphyry Cu Deposit, Eastern Tianshan and Its Exploration Significance
Authors: Wen Xingying , Zhang Fangfang , Wang Yinhong , Sun Min , Zhang Wei , Li Yanyan , Zhou Hang , Chen Yiming
Published: September 2021

The chemical composition of rutile has been used as an indicator in magmatic and metamorphic-related diagenetic systems, but rarely in porphyry-style ore systems. The Tuwu deposit (557 Mt at 0.58% Cu) is a large porphyry-style Cu mineralization in Eastern Tianshan, Xinjiang, with typical disseminated, stockwork mineralized veins hosted in tonalite and diorite porphyry, and to a lesser extent in volcanic rocks of the Qi’eshan Group. We first present determination of rutile minerals coupled with chlorite identified in mineralized porphyries from Tuwu to reveal their geochemical features, thus providing new insights into the ore-forming processes and metal exploration. Petrographic and BSE observations show that the rutile generally occurs as large crystals (30 to 80 µm), in association with hydrothermal quartz, chlorite, pyrite, and chalcopyrite. The rutile grains display V, Fe, and Sn enrichment and flat LREE-MREE patterns, indicating a hydrothermal origin. Titanium in rutile (TiO2) is suggested to be sourced from the breakdown and re-equilibration of primary magmatic biotite and Ti-magnetite, and substituted by Sn4+, high field strength elements (HFSE; e.g., Zr4+ and Hf4+), and minor Mo4+ under hydrothermal conditions. The extremely low Mo values (average 30 ppm) in rutile may be due to rutile formation postdating that of Mo sulfides (MoS2) formation in hydrothermal fluids. Chlorite analyses imply that the ore-forming fluids of the main stage were weakly oxidized (logfO2 = −28.5 to −22.1) and of intermediate temperatures (308 to 372 °C), consistent with previous fluid inclusion studies. In addition, Zr-in-rutile geothermometer yields overestimated temperatures (>430 °C) as excess Zr is incorporated into rutile, which is likely caused by fast crystal growth or post crystallization modification by F-Cl-bearing fluid. Thus, application of this geothermometer to magmatic-hydrothermal ore systems is questionable. Based on the comparison of rutile characteristics of porphyry Cu with other types of ore deposits and barren rocks, we suggest that porphyry Cu-related rutile typically has larger grain size, is enriched in V (average 3408 ppm, compared to <1500 ppm of barren rocks) and to a lesser extent in W and Sn (average 121 and 196 ppm, respectively), and has elevated Cr + V/Nb + Ta ratios. These distinctive signatures can be used as critical indicators of porphyry-style Cu mineralization and may serve as a valuable tool in mineral exploration.
Effect of Fe2O3 Content and Acid on the Leaching Behavior of Phosphorus from Dephosphorization Slag
Authors: Liu Shi-Wei , Li Ping-Ping , Du Chuan-Ming , Lv Ning-Ning
Published: September 2021

Dephosphorization slag contains considerable quantities of valuable components, such as P2O5 and FeOx. To recover P from dephosphorization slag, selective leaching has been adopted to separate the P-concentrating mineral phase. In this study, the effect of Fe2O3 content in slag and acid on the leaching behavior of P from dephosphorization slag was investigated. It was found that a higher Fe2O3 content in slag resulted in a higher P2O5 content in the C2S–C3P solid solution. Increasing the Fe2O3 content in slag promoted the dissolution of P and simultaneously suppressed the dissolution of other elements, facilitating the selective leaching of P. In the hydrochloric acid solution, more than 81% of P could be dissolved from dephosphorization slag at pH 4, and the dissolution ratio of Fe was nearly zero, achieving excellent selective leaching. Although better selective leaching was also realized in the citric acid solution at pH 5, hydrochloric acid was considered the appropriate leaching agent from the perspective of leaching cost. Through selective leaching, almost all the C2S–C3P solid solution was dissolved from dephosphorization slag, and the Fe-bearing matrix phase and magnesioferrite remained in the residue. The residue with low P2O5 content can be reutilized in ironmaking or steelmaking processes.
Improving the Antimicrobial and Mechanical Properties of Epoxy Resins via Nanomodification: An Overview
Authors: Bertani Roberta , Bartolozzi Alessandra , Pontefisso Alessandro , Quaresimin Marino , Zappalorto Michele
Published: September 2021

The main purpose of this work is to provide a comprehensive overview on the preparation of multifunctional epoxies, with improved antimicrobial activity and enhanced mechanical properties through nanomodification. In the first section, we focus on the approaches to achieve antimicrobial activity, as well as on the methods used to evaluate their efficacy against bacteria and fungi. Relevant application examples are also discussed, with particular reference to antifouling and anticorrosion coatings for marine environments, dental applications, antimicrobial fibers and fabrics, and others. Subsequently, we discuss the mechanical behaviors of nanomodified epoxies with improved antimicrobial properties, analyzing the typical damage mechanisms leading to the significant toughening effect of nanomodification. Some examples of mechanical properties of nanomodified polymers are provided. Eventually, the possibility of achieving, at the same time, antimicrobial and mechanical improvement capabilities by nanomodification with nanoclay is discussed, with reference to both nanomodified epoxies and glass/epoxy composite laminates. According to the literature, a nanomodified epoxy can successfully exhibit antibacterial properties, while increasing its fracture toughness, even though its tensile strength may decrease. As for laminates—obtaining antibacterial properties is not followed by improved interlaminar properties.
Synthesis and Spectroscopic Characterization of Thienopyrazine-Based Fluorophores for Application in Luminescent Solar Concentrators (LSCs)
Authors: Yzeiri Xheila , Calamante Massimo , Dessì Alessio , Franchi Daniele , Pucci Andrea , Ventura Francesco , Reginato Gianna , Zani Lorenzo , Mordini Alessandro
Published: September 2021

Organic fluorophores have found broad application as emitters in luminescent solar concentrators (LSCs) for silicon photovoltaics. In particular, the preparation of organic conjugated systems with intense light-harvesting ability, emissions in the deep-red and NIR regions, and large Stokes shift values represent a very challenging undertaking. Here, we report a simple and easy way to prepare three symmetrical donor–acceptor–donor (DAD) organic-emitting materials based on a thienopyrazine core. The central core in the three dyes was modified with the introduction of aromatic substituents, aiming to affect their optical properties. The fluorophores were characterized by spectroscopic studies. In all cases, visible-NIR emissions with large Stokes shifts were found, highlighting these molecules as promising materials for the application in LSCs.
Populus tomentiglandulosa Extract Is Rich in Polyphenols and Protects Neurons, Astrocytes, and the Blood-Brain Barrier in Gerbil Striatum Following Ischemia-Reperfusion Injury
Authors: Lee Tae-Kyeong , Lee Jae-Chul , Kim Jong-Dai , Kim Dae-Won , Ahn Ji-Hyeon , Park Joon-Ha , Kim Hyung-Il , Cho Jun-Hwi , Choi Soo-Young , Won Moo-Ho , Kang II-Jun
Published: September 2021

Transient ischemia in brains causes neuronal damage, gliosis, and blood–brain barrier (BBB) breakdown, which is related to ischemia-induced brain dysfunction. Populus species have various pharmacological properties including antioxidant and anti-inflammatory activities. In this study, we found that phenolic compounds were rich in Populus tomentiglandulosa extract and examined the effects of Populus tomentiglandulosa extract on neuronal damage/death, astrogliosis, and BBB breakdown in the striatum, which is related to motor behavior, following 15-min transient ischemia in the forebrain in gerbils. The gerbils were pre-treated with 50, 100, and 200 mg/kg of the extract. The latter showed significant effects against ischemia-reperfusion injury. Ischemia-induced hyperactivity using spontaneous motor activity test was significantly attenuated by the treatment. Striatal cells (neurons) were dead at five days after the ischemia; however, pre-treatment with the extract protected the striatal cells from ischemia/reperfusion injury. Ischemia-induced reactive astrogliosis was significantly alleviated, in particular, astrocyte end feet, which are a component of BBB, were significantly preserved. Immunoglobulin G, which is not found in intact brain parenchyma, was apparently shown (an indicator of extravasation) in striatal parenchyma at five days after the ischemia, but IgG leakage was dramatically attenuated in the parenchyma by the pre-treatment. Based on these findings, we suggest that Populus tomentiglandulosa extract rich in phenolic compounds can be employed as a pharmaceutical composition to develop a preventive material against brain ischemic injury.
Quantitative Determination and Environmental Risk Assessment of 102 Chemicals of Emerging Concern in Wastewater-Impacted Rivers Using Rapid Direct-Injection Liquid Chromatography—Tandem Mass Spectrometry
Authors: Egli Melanie , Hartmann Alicia , Rapp Wright Helena , Ng Keng Tiong , Piel Frédéric B. , Barron Leon P.
Published: September 2021

The rapid source identification and environmental risk assessment (ERA) of hundreds of chemicals of emerging concern (CECs) in river water represent a significant analytical challenge. Herein, a potential solution involving a rapid direct-injection liquid chromatography–tandem mass spectrometry method for the quantitative determination of 102 CECs (151 qualitatively) in river water is presented and applied across six rivers in Germany and Switzerland at high spatial resolution. The method required an injection volume of only 10 µL of filtered sample, with a runtime of 5.5 min including re-equilibration with >10 datapoints per peak per transition (mostly 2 per compound), and 36 stable isotope-labelled standards. Performance was excellent from the low ng/L to µg/L concentration level, with 260 injections possible in any 24 h period. The method was applied in three separate campaigns focusing on the ERA of rivers impacted by wastewater effluent discharges (1 urban area in the Basel city region with 4 rivers, as well as 1 semi-rural and 1 rural area, each focusing on 1 river). Between 25 and 40 compounds were quantified directly in each campaign, and in all cases small tributary rivers showed higher CEC concentrations (e.g., up to ~4000 ng/L in total in the R. Schwarzach, Bavaria, Germany). The source of selected CECs could also be identified and differentiated from other sources at pre- and post- wastewater treatment plant effluent discharge points, as well as the effect of dilution downstream, which occurred over very short distances in all cases. Lastly, ERA for 41 CECs was performed at specific impacted sites, with risk quotients (RQs) at 1 or more sites estimated as high risk (RQ > 10) for 1 pharmaceutical (diclofenac), medium risk (RQ of 1–10) for 3 CECs (carbamazepine, venlafaxine, and sulfamethoxazole), and low risk (RQ = 0.1–1.0) for 7 CECs (i.e., RQ > 0.1 for 11 CECs in total). The application of high-throughput methods like this could enable a better understanding of the risks of CECs, especially in low flow/volume tributary rivers at scale and with high resolution.
Antinociceptive Synergism of Pomegranate Peel Extract and Acetylsalicylic Acid in an Animal Pain Model
Authors: Guerrero-Solano José Antonio , Bautista Mirandeli , Velázquez-González Claudia , De la O-Arciniega Minarda , González-Olivares Luis Guillermo , Fernández-Moya Monserrat , Jaramillo-Morales Osmar Antonio
Published: September 2021

Several modern drugs, which are derived from traditional herbal medicine are used in contemporary pharmacotherapy. Currently, the study of drug–plant interactions in pain has increased in recent years, looking for greater efficacy of the drug and reduce side effects. The antinociception induced by intragastric co-administration of the combination of pomegranate peel extract (PoPEx) and acetylsalicylic acid (ASA) was assessed using the isobolographic analysis in formalin test (nociceptive and inflammatory pain). The effective dose that produced 30% of antinociception (ED30) was calculated for both drugs from the logarithmic dose–response curves, subsequently generating a curve with the combination on fixed proportions (1:1) of PoPEx and ASA. Through isobolographic analysis, this experimental ED30 was compared with the calculated theoretical additive ED30. The result was a synergistic interaction, the experimental ED30 was significantly smaller (p < 0.05) than the theoretical ED30. The antinociceptive mechanism of the PoPEx-ASA combination involves the l-Arginine/NO/cGMP pathway, antioxidant capacity, and high content of total phenols. These findings suggest that an interaction between PoPEx and ASA could be a novel treatment for inflammatory and nociceptive pain, also diminish the secondary reactions of ASA.
The Impact of Apple Variety and the Production Methods on the Antibacterial Activity of Vinegar Samples
Authors: Kara Mohammed , Assouguem Amine , kamaly Omkulthom Mohamed Al , Benmessaoud Safaâ , Imtara Hamada , Mechchate Hamza , Hano Christophe , Zerhouni Abdou Rachid , Bahhou Jamila
Published: September 2021

Apple vinegar is a natural product widely used in food and traditional medicine as it contains many bioactive compounds. The apple variety and production methods are two factors that play a major role in determining the quality of vinegar. Therefore, this study aims to determine the quality of apple vinegar samples from different varieties (Red Delicious, Gala, Golden Delicious, and Starking Delicious) prepared by three methods using small apple pieces, apple juice, and crushed apple, through determining the physicochemical properties and antibacterial activity of these samples. The antibacterial activity was studied against five pathogenic bacteria: Staphylococcus aureus, Klebsiella pneumonia, Escherichia coli (ATB: 57), Escherichia coli (ATB: 97), and Pseudomonas aeruginosa, using two methods, disk diffusion and microdilution, for determining the minimum inhibitory concentrations and the minimum bactericidal concentrations. The results of this study showed that the lowest pH value was 3.6 for Stark Delicious, obtained by liquid fermentation, and the highest acetic acid values were 4.7 and 4% for the vinegar of Red Delicious and Golden Delicious, prepared by solid fermentation, respectively. The results of the antibacterial activity showed considerable activity of apple vinegar on the tested strains. Generally, the Staphylococcus aureus strain appears less sensitive and Pseudomonas aeruginosa seems to be very sensitive against all samples, while the other strains have distinct sensitivities depending on the variety studied and the method used. A higher antibacterial activity was found in vinegar obtained by the apple pieces method and the Red Delicious variety, with a low MIC and MBC recorded, at 1.95 and 3.90 µL/mL, respectively. This study has shown that the choice of both apple variety and production method is therefore an essential step in determining and aiming for the desired quality of apple vinegar.
Chelate Coordination Compounds as a New Class of High-Energy Materials: The Case of Nitro-Bis(Acetylacetonato) Complexes
Authors: Kretić Danijela S. , Veljković Ivana S. , Đunović Aleksandra B. , Veljković Dušan Ž.
Published: September 2021

The existence of areas of strongly positive electrostatic potential in the central regions of the molecular surface of high-energy molecules is a strong indicator that these compounds are very sensitive towards detonation. Development of high-energy compounds with reduced sensitivity towards detonation and high efficiency is hard to achieve since the energetic molecules with high performance are usually very sensitive. Here we used Density Functional Theory (DFT) calculations to study a series of bis(acetylacetonato) and nitro-bis(acetylacetonato) complexes and to elucidate their potential application as energy compounds with moderate sensitivities. We calculated electrostatic potential maps for these molecules and analyzed values of positive potential in the central portions of molecular surfaces in the context of their sensitivity towards detonation. Results of the analysis of the electrostatic potential demonstrated that nitro-bis(acetylacetonato) complexes of Cu and Zn have similar values of electrostatic potential in the central regions (25.25 and 25.06 kcal/mol, respectively) as conventional explosives like TNT (23.76 kcal/mol). Results of analysis of electrostatic potentials and bond dissociation energies for the C-NO2 bond indicate that nitro-bis(acetylacetonato) complexes could be used as potential energetic compounds with satisfactory sensitivity and performance.
Imine Reduction with Me2S-BH3
Authors: Kamal Mohammad M. , Liu Zhizhou , Zhai Siyuan , Vidović Dragoslav
Published: September 2021

Although there exists a variety of different catalysts for hydroboration of organic substrates such as aldehydes, ketones, imines, nitriles etc., recent evidence suggests that tetra-coordinate borohydride species, formed by activation, redistribution, or decomposition of boron reagents, are the true hydride donors. We then proposed that Me2S-BH3 could also act as a hydride donor for the reduction of various imines, as similar compounds have been observed to reduce carbonyl substrates. This boron reagent was shown to be an effective and chemoselective hydroboration reagent for a wide variety of imines.
Synthesis of Lead-Free CaTiO3 Oxide Perovskite Film through Solution Combustion Method and Its Thickness-Dependent Hysteresis Behaviors within 100 mV Operation
Authors: Lee Subin , Kwak Soyeon , Park Taehyun , Son Byoungchul , Yun Hyung Joong , Hur Jaehyun , Yoo Hocheon
Published: September 2021

Perovskite is attracting considerable interest because of its excellent semiconducting properties and optoelectronic performance. In particular, lead perovskites have been used extensively in photovoltaic, photodetectors, thin-film transistors, and various electronic applications. On the other hand, the elimination of lead is essential because of its strong toxicity. This paper reports the synthesis of lead-free calcium titanate perovskite (CaTiO3) using a solution-processed combustion method. The chemical and morphological properties of CaTiO3 were examined as a function of its thickness by scanning electron microscopy, X-ray diffraction (XRD), atomic force microscopy, X-ray photoelectron spectroscopy, and ultraviolet–visible spectrophotometry. The analysis showed that thicker films formed by a cumulative coating result in larger grains and more oxygen vacancies. Furthermore, thickness-dependent hysteresis behaviors were examined by fabricating a metal-CaTiO3-metal structure. The electrical hysteresis could be controlled over an extremely low voltage operation, as low as 100 mV, by varying the grain size and oxygen vacancies.
Applications and Restrictions of Integrated Genomic and Metabolomic Screening: An Accelerator for Drug Discovery from Actinomycetes?
Authors: Krause Janina
Published: September 2021

Since the golden age of antibiotics in the 1950s and 1960s actinomycetes have been the most prolific source for bioactive natural products. However, the number of discoveries of new bioactive compounds decreases since decades. New procedures (e.g., activating strategies or innovative fermentation techniques) were developed to enhance the productivity of actinomycetes. Nevertheless, compound identification remains challenging among others due to high rediscovery rates. Rapid and cheap genome sequencing as well as the advent of bioinformatical analysis tools for biosynthetic gene cluster identification in combination with mass spectrometry-based molecular networking facilitated the tedious process of dereplication. In recent years several studies have been dedicated to accessing the biosynthetic potential of Actinomyces species, especially streptomycetes, by using integrated genomic and metabolomic screening in order to boost the discovery rate of new antibiotics. This review aims to present the various possible applications of this approach as well as the newly discovered molecules, covering studies between 2014 and 2021. Finally, the effectiveness of this approach with regard to find new bioactive agents from actinomycetes will be evaluated.
Effect of Extraction Solvent and Temperature on Polyphenol Profiles, Antioxidant and Anti-Inflammatory Effects of Red Grape Skin By-Product
Authors: Baron Giovanna , Ferrario Giulio , Marinello Cristina , Carini Marina , Morazzoni Paolo , Aldini Giancarlo
Published: September 2021

A fully-detailed LC-MS qualitative profiling of red grape skin, extracted with a mixture of ethanol and water (70:30 v:v) has permitted the identification of 65 compounds which can be classified into the following chemical classes: organic and phenolic acids (14 compounds), stilbenoids (1 compound), flavanols (21 compounds), flavonols (15 compounds) and anthocyanins (14 compounds). The extraction yield obtained with water at different temperatures (100 °C, 70 °C, room temperature) was then evaluated and the overall polyphenol content indicates that EtOH:H2O solvent is the most efficient and selective for polyphenol extraction. However, by analyzing the recovery yield of each single polyphenol, we found that water extraction under heating conditions is effective (extraction yield similar or even better in respect to the binary solvent) for some polyphenolic classes, such as hydrophilic procyanidins, phenolic acids, flavonol glucosides and stilbenoids. However, according to their lipophilic character, a poor yield was found for the most lipophilic components, such as flavonol aglycones, and in general for anthocyanins. The radical scavenging activity was in accordance with the polyphenol content, and hence, much higher for the extract obtained with the binary solvent in respect to water extraction. All the tested extracts were found to have an anti-inflammatory activity in the R3/1 cell line with NF-kb reporter challenged with 0.01 µg/mL of IL-1α, in a 1 to 250 µg/mL concentration range. An intriguing result was that the EtOH:H2O extract was found to be superimposable with that obtained using water at 100 °C despite the lower polyphenol content. Taken together, the results show the bioactive potentialities of grape skin extracts and the possibility to exploit this rich industrial waste. Water extraction carried out by heating is an easy, low-cost and environmentally friendly extraction method for some polyphenol classes and may have great potential for extracts with anti-inflammatory activities.
Chirality Distributions for Semiconducting Single-Walled Carbon Nanotubes Determined by Photoluminescence Spectroscopy
Authors: Irita Masaru , Yamamoto Takahiro , Homma Yoshikazu
Published: September 2021

To realize single-walled carbon nanotube (SWCNT) chiral selective growth, elucidating the mechanism of SWCNT chirality (n,m) selectivity is important. For this purpose, an accurate evaluation method for evaluating the chirality distribution of grown SWCNTs without post-growth processing or liquid-dispersion of SWCNTs is indispensable. Here, we used photoluminescence spectroscopy to directly measure the chirality distributions of individual semiconducting SWCNTs suspended on a pillar-patterned substrate. The number of chirality-assigned SWCNTs was up to 332 and 17 chirality types with the chiral angles ranging from 0° to 28.05° were detected. The growth yield of SWCNTs was confirmed to primarily depends on the chiral angle in accordance with the screw dislocation model. Furthermore, when higher-yield chiralities are selected, the chiral angle distribution with a peak corresponding to near-armchair SWCNTs is well fitted with a model that incorporates the thermodynamic effect at the SWCNT-catalyst interface into the kink growth-based kinetic model. Our quantitative and statistical data provide new insights into SWCNT growth mechanism as well as experimental confirmation of theoretical predictions.
Carbon Dioxide-Derived Biodegradable and Cationic Polycarbonates as a New siRNA Carrier for Gene Therapy in Pancreatic Cancer
Authors: Zhang Xinmeng , Lin Zheng-Ian , Yang Jingyu , Liu Guan-Lin , Hu Zulu , Huang Haoqiang , Li Xiang , Liu Qiqi , Ma Mingze , Xu Zhourui , Xu Gaixia , Yong Ken-Tye , Tsai Wei-Chung , Tsai Tzu-Hsien , Ko Bao-Tsan , Chen Chih-Kuang , Yang Chengbin
Published: September 2021

Pancreatic cancer is an aggressive malignancy associated with poor prognosis and a high tendency in developing infiltration and metastasis. K-ras mutation is a major genetic disorder in pancreatic cancer patient. RNAi-based therapies can be employed for combating pancreatic cancer by silencing K-ras gene expression. However, the clinical application of RNAi technology is appreciably limited by the lack of a proper siRNA delivery system. To tackle this hurdle, cationic poly (cyclohexene carbonate) s (CPCHCs) using widely sourced CO2 as the monomer are subtly synthesized via ring-opening copolymerization (ROCOP) and thiol-ene functionalization. The developed CPCHCs could effectively encapsulate therapeutic siRNA to form CPCHC/siRNA nanoplexes (NPs). Serving as a siRNA carrier, CPCHC possesses biodegradability, negligible cytotoxicity, and high transfection efficiency. In vitro study shows that CPCHCs are capable of effectively protecting siRNA from being degraded by RNase and promoting a sustained endosomal escape of siRNA. After treatment with CPCHC/siRNA NPs, the K-ras gene expression in both pancreatic cancer cell line (PANC-1 and MiaPaCa-2) are significantly down-regulated. Subsequently, the cell growth and migration are considerably inhibited, and the treated cells are induced into cell apoptotic program. These results demonstrate the promising potential of CPCHC-mediated siRNA therapies in pancreatic cancer treatment.
The Recent Progress on Silver Nanoparticles: Synthesis and Electronic Applications
Authors: Bouafia Abderrhmane , Laouini Salah Eddine , Ahmed Abdelaal S. A. , Soldatov Alexander V. , Algarni Hamed , Feng Chong Kwok , Ali Gomaa A. M.
Published: September 2021

Nanoscience enables researchers to develop new and cost-effective nanomaterials for energy, healthcare, and medical applications. Silver nanoparticles (Ag NPs) are currently increasingly synthesized for their superior physicochemical and electronic properties. Good knowledge of these characteristics allows the development of applications in all sensitive and essential fields in the service of humans and the environment. This review aims to summarize the Ag NPs synthesis methods, properties, applications, and future challenges. Generally, Ag NPs can be synthesized using physical, chemical, and biological routes. Due to the great and increasing demand for metal and metal oxide nanoparticles, researchers have invented a new, environmentally friendly, inexpensive synthetic method that replaces other methods with many defects. Studies of Ag NPs have increased after clear and substantial support from governments to develop nanotechnology. Ag NPs are the most widely due to their various potent properties. Thus, this comprehensive review discusses the different synthesis procedures and electronic applications of Ag NPs.
Light-Activated Protoporphyrin IX-Based Polysilsesquioxane Nanoparticles Induce Ferroptosis in Melanoma Cells
Authors: Vadarevu Hemapriyadarshini , Juneja Ridhima , Lyles Zachary , Vivero-Escoto Juan L.
Published: September 2021

The use of nanoparticle-based materials to improve the efficacy of photodynamic therapy (PDT) to treat cancer has been a burgeoning field of research in recent years. Polysilsesquioxane (PSilQ) nanoparticles with remarkable features, such as high loading of photosensitizers, biodegradability, surface tunability, and biocompatibility, have been used for the treatment of cancer in vitro and in vivo using PDT. The PSilQ platform typically shows an enhanced PDT performance following a cell death mechanism similar to the parent photosensitizer. Ferroptosis is a new cell death mechanism recently associated with PDT that has not been investigated using PSilQ nanoparticles. Herein, we synthesized a protoporphyrin IX (PpIX)-based PSilQ platform (PpIX-PSilQ NPs) to study the cell death pathways, with special focus on ferroptosis, during PDT in vitro. Our data obtained from different assays that analyzed Annexin V binding, glutathione peroxidase activity, and lipid peroxidation demonstrate that the cell death in PDT using PpIX-PSilQ NPs is regulated by apoptosis and ferroptosis. These results can provide alternative approaches in designing PDT strategies to enhance therapeutic response in conditions stymied by apoptosis resistance.