bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation and Factor Analysis of Industrial Carbon Emission Efficiency Based on “Green-Technology Efficiency”—The Case of Yangtze River Basin, China
Authors: Wang Jingyi , Sun Kaisi , Ni Jiupai , Xie Deti
Published: December 2021

In the context of low-carbon development, effectively improving carbon emission efficiency is an inevitable requirement for achieving sustainable economic and social development. Based on panel data of 11 provinces and municipalities in the Yangtze River Basin (YRB), ranging from 2000 to 2019, this paper uses green-technology efficiency to measure industrial carbon emission efficiency via stochastic frontier analysis (SFA) incorporated with carbon productivity. This provides a comprehensive analytical framework for assessing the carbon emission efficiency, quantitatively measuring the reduction potential, and clarifying the incentive channels. The results are as follows: (1) The industrial carbon emission efficiency (ICEE) of YRB presents an increasing trend. Although differences in emission efficiency among provinces and municipalities are narrowing, their emission efficiency is still prominently imbalanced. (2) The potential for reducing industrial carbon emissions in this region shows an upward-to-downward trend. The decline in such potential of each province and municipality in recent years indicates that further reduction is becoming more difficult. (3) Effective means to improve ICEE are to improve the level of industrialization, promote technological innovation in industrial low-carbonization, and raise industrial productivity. Meanwhile, the significant spatial spillover effect of ICEE further emphasizes the necessity of strengthening the coordination of carbon reduction policies in YRB. The research in this paper adds a new perspective to the evaluation of ICEE and also provides reference and technical support for the government to enhance ICEE and formulate green and sustainable development policies.
Queering Marriage: The Homoradical and Anti-Normativity
Authors: Maine Alexander
Published: December 2021

This article explores ‘bad’ sex in an age of same-sex marriage, through an analysis of the ‘homoradical’ as a rejection of both hetero and homo-normativities. Drawing on qualitative data from 29 LGBTQ interviewees, the article considers resistance to the discursive privileging of same-sex marriage in the context of Gayle Rubin’s theories of respectability and sexual hierarchies. These hierarchies constitute a ‘charmed circle’ of accepted sexual practices which are traditionally justified by marriage, procreation and/or love. It examines non-normative sexuality through the example of the lived experiences of non-normative, anti-assimilationist identities, particularly non-monogamy, public sex, and kink sex, showing how the ‘homoradical’ deviates from the normative practices that same-sex marriage reinforces.
MicroRNAs as Potential Biomarkers for Exercise-Based Cancer Rehabilitation in Cancer Survivors
Authors: Jiang Yanping , Ghias Kulsoom , Gupta Sanjeev , Gupta Ananya
Published: December 2021

Expression and functions of microRNAs (miRNAs) have been widely investigated in cancer treatment-induced complications and as a response to physical activity, respectively, but few studies focus on the application of miRNAs as biomarkers in exercise-based cancer rehabilitation. Research has shown that certain miRNA expression is altered substantially due to tissue damage caused by cancer treatment and chronic inflammation. MiRNAs are released from the damaged tissue and can be easily detected in blood plasma. Levels of the miRNA present in peripheral circulation can therefore be used to measure the extent of tissue damage. Moreover, damage to tissues such as cardiac and skeletal muscle significantly affects the individual’s health-related fitness, which can be determined using physiologic functional assessments. These physiologic parameters are a measure of tissue health and function and can therefore be correlated with the levels of circulating miRNAs. In this paper, we reviewed miRNAs whose expression is altered during cancer treatment and may correlate to physiological, physical, and psychological changes that significantly impact the quality of life of cancer survivors and their role in response to physical activity. We aim to identify potential miRNAs that can not only be used for monitoring changes that occur in health-related fitness during cancer treatment but can also be used to evaluate response to exercise-based rehabilitation and monitor individual progress through the rehabilitation programme.
Simulation and Optimization of the Nozzle Section Geometry for a Suspension Abrasive Water Jet
Authors: Li Zhibo , Yao Shaoming , Yun Feihong , Wang Xiangyu , Wang Liquan , Wu Yongtao
Published: December 2021

In order to improve the life cycle and cutting ability of a suspension abrasive water jet nozzle at the same time, hydrodynamics technology, an enumeration method and multiparameter orthogonal optimization are used to optimize the nozzle section geometry, taking the inlet diameter coefficient of the nozzle, the axial length coefficient of the contraction section and the contraction section curve as optimization variables, and selecting the peak velocity and the unit flow erosion rate as the indicators, it is concluded that the optimal contraction section curve is a Widosinski curve, the optimal inlet diameter coefficient of the nozzle is 0.333 and the optimal axial length coefficient of the contraction section is 2.857. Compared with the commercial product single cone nozzle, the performance of the optimal section nozzle improves by 5.64% and the life cycle increases by 43.2%. On this basis, the effects of operating parameters, including inlet pressure, abrasive particle flow rate and abrasive particle size, are further studied. It is determined that the optimal section nozzle has the best performance under the above operating parameters. It is demonstrated that by optimizing the nozzle section geometry, the cutting capacity and life cycle of the nozzle are improved, the performance of the nozzle can be significantly improved and the optimization of the performance of the nozzle is realized.
Optimizing Main Process Parameters When Conducting Powder-Mixed Electrical Discharge Machining of Hardened 90CrSi
Authors: Nguyen Anh-Tuan , Le Xuan-Hung , Nguyen Van-Tung , Phan Dang-Phong , Tran Quoc-Hoang , Nguyen Dinh-Ngoc , Nguyen Manh-Cuong , Vu Ngoc-Pi
Published: December 2021

In the current study, an optimization process of powder-mixed electrical discharge machining (PMEDM) process when machining cylindrically shaped parts made of hardened 90CrSi steel is reported. In this study, SiC powder was mixed into the Diel MS 7000 dielectric solution. Additionally, graphite was chosen as the electrode material. The multi-objective functions were minimizing the surface roughness (SR) and electrode wear rate (EWR) and maximizing the material removal rate (MRR). The used input parameters of the optimization process included the powder concentration, the pulse-on time, the pulse-off time, the pulse current, and the servo voltage. A combination between the Taguchi method and the grey relation analysis (GRA) method with the support of Minitab R19 software was used to design the experiment and analyze the results. It was found that the optimal set of process parameters that can satisfy the above responses are Cp of 0.5 g/L, Ton of 8 µs, Toff of 8 µs, IP of 5 A, and SV of 4 V.
Correlation between Supramolecular Connectivity and Magnetic Behaviour of [FeIII(5-X-qsal)2]+-Based Salts Prone to Exhibit SCO Transition
Authors: Vieira Bruno J. C. , Pereira Laura C. J. , Gama Vasco da , Santos Isabel C. , Cerdeira Ana C. , Waerenborgh João C.
Published: December 2021

We present an extensive study to determine the relationship between structural features of spin crossover (SCO) systems based on N-(8-quinolyl)salicylaldimine (qsal) ligand derivatives and their magnetic properties. Thirteen new compounds with general formula [FeIII(5-X-qsal)2]+ (X = H, F, Cl, Br and I) coupled to Cl−, ClO4−, SCN−, PF6−, BF4− and BPh4− anions were prepared and magnetically characterized. The structure/properties correlations observed in these compounds were compared to those of salts with the same [FeIII(qsal-X)2]+ cations previously reported in the literature. These cations favour the LS configuration in compounds with the weakest connectivity. As connectivity increases most of them present HS states at room temperature and structures may be described as arrangements of parallel layers of interacting cation dimers. All the compounds based on these cations undergoing complete SCO transitions within the 4–300 K temperature range have high intralayer connectivity. If, however, the interlayer connectivity becomes very strong they remain blocked in the HS or in the LS state. The SCO transition may be affected by the slightest change of solvent molecules content, disorder or even crystallinity of the sample and it remain difficult to predict which kind of ligand substituent should be selected to obtain compounds with the desired connectivity.
Binary Operations in Metric Spaces Satisfying Side Inequalities
Authors: Navascués María A. , Rajan Pasupathi , Chand Arya Kumar Bedabrata
Published: December 2021

The theory of metric spaces is a convenient and very powerful way of examining the behavior of numerous mathematical models. In a previous paper, a new operation between functions on a compact real interval called fractal convolution has been introduced. The construction was done in the framework of iterated function systems and fractal theory. In this article we extract the main features of this association, and consider binary operations in metric spaces satisfying properties as idempotency and inequalities related to the distance between operated elements with the same right or left factor (side inequalities). Important examples are the logical disjunction and conjunction in the set of integers modulo 2 and the union of compact sets, besides the aforementioned fractal convolution. The operations described are called in the present paper convolutions of two elements of a metric space E. We deduce several properties of these associations, coming from the considered initial conditions. Thereafter, we define self-operators (maps) on E by using the convolution with a fixed component. When E is a Banach or Hilbert space, we add some hypotheses inspired in the fractal convolution of maps, and construct in this way convolved Schauder and Riesz bases, Bessel sequences and frames for the space.
Approximation of Generalized Ovals and Lemniscates towards Geometric Modeling
Authors: Ochkov Valery , Vasileva Inna , Borovinskaya Ekaterina , Reschetilowski Wladimir
Published: December 2021

This paper considers an approach towards the building of new classes of symmetric closed curves with two or more focal points, which can be obtained by generalizing classical definitions of the ellipse, Cassini, and Cayley ovals. A universal numerical method for creating such curves in mathematical packages is introduced. Specific aspects of the provided numerical data in computer-aided design systems with B-splines for three-dimensional modeling are considered. The applicability of the method is demonstrated, as well as the possibility to provide high smoothness of the curvature profile at the specified accuracy of modeling.
The Problem of Determining Discount Rate for Integrated Investment Projects in the Oil and Gas Industry
Authors: Komzolov Alexey , Kirichenko Tatiana , Kirichenko Olga , Nazarova Yulia , Shcherbakova Natalya
Published: December 2021

The main aim of this paper was to examine specific approaches to determining the discount rate for comprehensive computation of investment projects efficiency in the oil and gas industry. The objective of the study was to develop a scientific approach for determining the discount rate for integrated oil and gas projects. The authors analyze dynamic methods for determining the efficiency of investment projects in the oil and gas industry and conclude that they are advisable for oil and gas projects due to the high capital intensity of the projects and their long payback period. Regarding the need to implement dynamic indicators of efficiency, the authors set the task of deter-mining the proper discount rate as a factor having a significant impact on effectiveness evaluation. The discount rate is proposed to be evaluated by solving the equation and finding the break-even point where the NPV (net present value) of the integrated project will be equal to 0 (taking into account the revenue of the subprojects included in the complex). The practical implementation of methodological approaches to assessing the discount rate for integrated projects is relevant due to the execution of large, systemically important and integrated projects. As a result of the study, the authors put forward a methodological algorithm for determining the discount rate of an integrated project which assumes an assessment of cash flows for the subprojects included in the complex; determination of the target rate of return for subprojects; and calculation of prices for products at which a complex project become break-even. The practical implementation of methodological approaches to assessing the discount rate for integrated projects is relevant due to the execution of large systemically important integrated projects.
Six New Antimicrobial Metabolites from the Deep-Sea Sediment-Derived Fungus Aspergillus fumigatus SD-406
Authors: Yan Li-Hong , Li Xiao-Ming , Chi Lu-Ping , Li Xin , Wang Bin-Gui
Published: December 2021

Six new metabolites, including a pair of inseparable mixtures of secofumitremorgins A (1a) and B (1b), which differed in the configuration of the nitrogen atom, 29-hydroxyfumiquinazoline C (6), 10R-15-methylpseurotin A (7), 1,4,23-trihydroxy-hopane-22,30-diol (10), and sphingofungin I (11), together with six known compounds (2–5 and 8–9), were isolated and identified from the deep-sea sediment-derived fungus Aspergillus fumigatus SD-406. Their structures were determined by detailed spectroscopic analysis of NMR and MS data, chiral HPLC analysis of the acidic hydrolysate, X-ray crystallographic analysis, J-based configuration analysis, and quantum chemical calculations of ECD, OR, and NMR (with DP4+ probability analysis). Among the compounds, 1a/1b represent a pair of novel scaffolds derived from indole diketopiperazine by cleavage of the amide bond following aromatization to give a pyridine ring. Compounds 1, 4, 6, 7, 10 and 11 showed inhibitory activities against pathogenic bacteria and plant pathogenic fungus, with MIC values ranging from 4 to 64 μg/mL.
Safety of Insulin Degludec/Insulin Aspart in Patients with Diabetes Mellitus over a Period of 1 Year during Routine Clinical Care in India: SMART (Study of Management of Diabetes with Ryzodeg™ Treatment)
Authors: Kesavadev Jothydev , Gowda Ambanna , Kumar Harish , Yalamanchi Sadasiva Rao , Lodha Sailesh , Singh Kiran Pal , Basu Debasis , Asirvatham Arthur , Shah Navneet , Pathan Muzammil Khan , Revanna Manjunatha , Mukherjee Jagat Jyoti
Published: December 2021

This post-authorization study was conducted to evaluate the safety of insulin degludec/insulin aspart (IDegAsp) in adult patients with diabetes mellitus (DM) during routine clinical care under a real-world setting in India. Eligible patients received IDegAsp for a minimum of 12 months during routine clinical management. Data were collected at 0, 3, 6, and 12 months. In total, 1029 adult patients with DM were included; 65.2% (n = 671) were men; mean age was 55.0 ± 12.2 years, and the mean duration of diabetes mellitus was 10.8 ± 7.4 years. Thirty adverse events were reported in 23 patients (2.2%) during the follow-up: two adverse events in two patients were serious with fatal outcomes, which were unrelated to IDegAsp use. At baseline, there were 176 confirmed hypoglycemic events in 67 (6.7%) patients while they were on their previous treatment options. At 12 months of treatment with IDegAsp, 11 confirmed hypoglycemic events were reported in 11 (1.1%) patients since the previous visit; there were no reported episodes of severe hypoglycemia. Mean glycosylated hemoglobin value reduced from 9.5% ± 1.8% at baseline to 7.7% ± 1.1% at 12 months. This study showed the safety of IDegAsp in patients with diabetes mellitus over a period of 1 year during routine clinical care.
Surface Characteristics and Corrosion Behavior of Carbon Steel Treated by Abrasive Blasting
Authors: Kim Aran , Kainuma Shigenobu , Yang Muye
Published: December 2021

The effects of blasting with metallic steel grit and non-metallic alumina grit on steel surface characteristics were evaluated. These abrasives are generally used at construction sites and in vacuum blasting. Milled steel specimens were used to investigate the effect of the blasting conditions on surface properties. The effect of difference in surface properties on the adhesion strength and corrosion behavior were measured through adhesion tests, polarization curves, and electrochemical impedance spectroscopy. The limitations of blasting were evaluated using corroded steel specimens, as were the effects of corrosion products, salts, and abrasive material remaining on the blasted steel surface on the adhesion and corrosion resistance of paint. Steel grit more effectively increased the surface roughness than alumina grit; however, with both abrasive materials, the roughness increased with the blast projection angle. However, in the case of alumina grit, some abrasive material remained on the surface; thus, the actual roughness not including the residual abrasive material was more complex and greater than that of the sample blasted with steel grit. According to the adhesion strength test of painted and unpainted specimens, the adhesion force improved with increasing surface roughness and residual abrasive materials. Further, surface roughness was linearly correlated with the adhesion strength of unpainted specimens for both abrasive materials with blasting, and the adhesion strength force with alumina grit was approximately 1.4 times higher than that with steel grit, suggesting that increased roughness and residual abrasive material could benefit adhesion. According to the electrochemical test results, lower roughness and increased residual abrasive material owing to alumina grit on the steel surface enhanced the surface corrosion resistance, confirming the benefit of residual materials. Grinding left behind corrosion products and salts under the steel, resulting in the recurrence of rusting. However, the residue from blasting with alumina suppressed corrosion, thus improving the adhesion and corrosion resistance of the paint.
Structural Transition of Vacancy–Solute Complexes in Al–Mg–Si Alloys
Authors: Mizuno Masataka , Sugita Kazuki , Araki Hideki
Published: December 2021

To theoretically examine the structural transition of vacancy–solute complexes in Al–Mg–Si alloys, we performed first-principles calculations for layered vacancy–solute complexes with additional Mg atoms. The central Mg atom in the additional Mg layer shifted to the Si layer with the increase in the number of Mg atoms to weaken the repulsive Mg–Mg interaction and to form Mg–Si bonds. When five Mg atoms were added to the layered vacancy–solute complex, the central Mg atom completely shifted to the Si layer, and a Mg vacancy was formed in the Mg layer, which indicated that the β″-eye is formed upon the addition of Mg atoms. We reproduced β″-eye formation from a solid solution with a vacancy using first-principles-based Monte Carlo simulations. Once the β″-eye was formed on the layered vacancy–solute complex, the process can be repeated by the formation of alternate Mg and Si layers along (010) β″. These results clearly indicate that the layered vacancy–solute complex plays an important role in β″-eye formation.
Proteomic Analysis of Tears and Conjunctival Cells Collected with Schirmer Strips Using timsTOF Pro: Preanalytical Considerations
Authors: Akkurt Arslan Murat , Kolman Ioannis , Pionneau Cédric , Chardonnet Solenne , Magny Romain , Baudouin Christophe , Brignole-Baudouin Françoise , Kessal Karima
Published: December 2021

This study aimed to investigate the human proteome profile of samples collected from whole (W) Schirmer strips (ScS) and their two parts—the bulb (B) and the rest of the strip (R)—with a comprehensive proteomic approach using a trapped ion mobility mass spectrometer, the timsTOF Pro. Eight ScS were collected from two healthy subjects at four different visits to be separated into three batches, i.e., 4W, 4B, and 4R. In total, 1582 proteins were identified in the W, B, and R batches. Among all identified proteins, binding proteins (43.4%) and those with catalytic activity (42.2%) constituted more than 80% of the molecular functions. The most represented biological processes were cellular processes (31.2%), metabolic processes (20.8%), and biological regulation (13.1%). Enzymes were the most represented protein class (41%), consisting mainly of hydrolases (47.5%), oxidoreductases (22.1%), and transferases (16.7%). The bulb (B), which is in contact with the conjunctiva, might collect both tear and cell proteins and therefore promote the identification of more proteins. Processing B and R separately before mass spectrometry (MS) analysis, combined with the high data acquisition speed and the addition of ion-mobility-based separation in the timsTOF Pro, can bring a new dimension to biomarker investigations of a limited sample such as tear fluid.
Numerical Simulation of the Photobleaching Process in Laser-Induced Fluorescence Photobleaching Anemometer
Authors: Chen Yu , Meng Shuangshuang , Wang Kaige , Bai Jintao , Zhao Wei
Published: December 2021

At present, a novel flow diagnostic technique for micro/nanofluidics velocity measurement—laser-induced fluorescence photobleaching anemometer (LIFPA)—has been developed and successfully applied in broad areas, e.g., electrokinetic turbulence in micromixers and AC electroosmotic flow. Nevertheless, in previous investigations, to qualitatively reveal the dynamics of the photobleaching process of LIFPA, an approximation of uniform laser distribution was applied. This is different from the actual condition where the laser power density distribution is normally Gaussian. In this investigation, we numerically studied the photobleaching process of fluorescent dye in the laser focus region, according to the convection–diffusion reaction equation. The profiles of effective dye concentration and fluorescence were elucidated. The relationship between the commonly used photobleaching time constant obtained by experiments and the photochemical reaction coefficient is revealed. With the established model, we further discuss the effective spatial resolution of LIFPA and study the influence of the detection region of fluorescence on the performance of the LIFPA system. It is found that at sufficiently high excitation laser power density, LIFPA can even achieve a super-resolution that breaks the limit of optical diffraction. We hope the current investigation can reveal the photobleaching process of fluorescent dye under high laser power density illumination, to enhance our understanding of fluorescent dynamics and photochemistry and develop more powerful photobleaching-related flow diagnostic techniques.
Optimal Support Solution for a Soft Rock Roadway Based on the Drucker–Prager Yield Criteria
Authors: Ma Minghui , Guo Qifeng , Pan Jiliang , Ma Chi , Cai Meifeng
Published: December 2021

Through theoretical calculation, the stress and deformation of surrounding rock can be analyzed, providing guidance for the support design and optimization of soft rock roadways. In this paper, theoretical solutions for both the optimal support pressure and the allowable maximum displacement of surrounding rock are derived from the Drucker–Prager (DP) yield criteria and the steady creep criterion expressed by the third invariant of deviator stress. The DP criterion with different parameters is compared and analyzed with an engineering example. Then, based on the calculation results the effects of long-term strength, cohesion, and internal friction angle of soft rock on the maximum plastic zone radius and allowable maximum displacement of roadway are discussed. The results show that the optimal support solution of soft rock roadways based on the DP criteria can not only reasonably reflect the intermediate principal stress but can also be used to compare and discuss the influence of different DP criteria on the calculation results. The higher the long-term strength of the rock surrounding a roadway is, the smaller the optimal support force is and the larger the allowable maximum displacement is. When the calculated long-term strength of soft rock can ensure that the deformation of the roadway does not exceed the allowable maximum displacement, the roadway can maintain long-term stability without support. With an increase in the cohesion or internal friction angle of soft rock, the radius of the plastic zone decreases gradually and the allowable maximum displacement is reduced by degrees. The use of grouting and other means to improve the strength of surrounding rock can effectively reduce the roadway deformation and save support costs. This new theoretical solution can consider different intermediate principal stress effects and different DP strength criteria, enabling the parameters to become easier to determine. It has a wider range of applications, and the calculation results better demonstrate the strength potential of the surrounding rock.
Influence Mechanism of Magnetized Modified Kerosene on Flotation Behavior of Molybdenite
Authors: Li Hui , Xiao Wei , Jin Jianping , Han Yuexin
Published: December 2021

The effects and mechanism of magnetized kerosene on the flotation behaviors of molybdenite were studied by micro-flotation, ultraviolet spectrum, infrared spectrum, surface tension, and liquid viscosity. According to the results of micro-flotation, magnetized kerosene improved the flotation recovery of molybdenite, and the improvements were more obvious with smaller molybdenite particles. Spectral analysis showed that the magnetization did not change the chemical composition of kerosene, but transformed the linear aliphatic hydrocarbons in kerosene into linear isomers and reduced the lengths of the carbon chains. Moreover, the magnetization reduced the viscosity of kerosene and oil/water interfacial tension, and improved the dispersion of kerosene in the pulp. The external magnetic field transformed the disorder of the additional magnetic moment in the kerosene molecules into order, and reduced the compactness of the kerosene molecules. The experimental results provided a theoretical explanation for the role of magnetization in mineral flotation.
Roof Subsidence and Movement Law of Composite Strata Mining: Insights from Physical and Numerical Modeling
Authors: Wang Yongqian , Wang Xuan , Zhang Jiasheng , Chen Xiaobin , Zhu Wujun , Zhang Yu
Published: December 2021

Sinking and horizontal movements are necessary parameters for assessing the potential impacts of surface subsidence in mining activities. Based on similarity criteria, the surface subsidence mechanism was studied using a physical model composed of similar materials such as sand, cement, and gypsum. With constant field geological parameters maintained in two angles of a coal seam, models of roof subsidence of composite rock were compared for different mining configurations. In accordance with observations from the physical model, it was concluded that subsidence and horizontal movement of strata near to and far from the coal seams were different and divided into five zones. The zone above a mined-out area underwent greater total subsidence compared to unexploited regions on both sides. Correlations between a subsidence curve and the height of a caving zone and the mining dip angle were obtained and verified from numerical model results. According to the roof’s position relative to the goaf, the area above the goaf of the composite rock layer was divided into three regions: a curving zone, a water-conducting fracture zone, and a falling zone, to which the subsidence and movement characteristics of each area could be proposed. Compared with the subsidence and movement characteristics observed from the physical and numerical model, the acquisition of subsidence characteristics and parameters in different areas can provide an idea for improvement, innovation or proposal of a theoretical formula for subsidence prediction of composite rock formations.
Hybrid Fuzzy-Analytic Hierarchy Process (AHP) Model for Porphyry Copper Prospecting in Simorgh Area, Eastern Lut Block of Iran
Authors: Khosravi Vahid , Shirazi Aref , Shirazy Adel , Hezarkhani Ardeshir , Pour Amin Beiranvand
Published: December 2021

The eastern Lut block of Iran has a high potential for porphyry copper mineralization due to the subduction tectonic regime. It is located in an inaccessible region and has harsh arid conditions for traditional mineral exploration campaigns. The objective of this study is to use Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) remote sensing data for porphyry copper exploration in Simorgh Area, eastern Lut block of Iran. Hydrothermal alteration zones such as argillic, phyllic and propylitic zones associated with porphyry copper systems in the study were identified using false color composition (FCC), band ratio (BR), principal component analysis (PCA) and minimal noise fraction (MNF). The thematic alteration layers extracted from FCC, BR, PCA and MNF were integrated using hybrid Fuzzy-AHP model to generate a porphyry copper potential map for the study area. Four high potential zones were identified in the central, western, eastern and northeastern of the study area. Fieldwork was used to validate the approach used in this study. This investigation exhibits that the use of hybrid Fuzzy-AHP model for the identification of hydrothermal alteration zones associated with porphyry copper systems that is typically applicable to ASTER data and can be used for porphyry copper potential mapping in many analogous metallogenic provinces.
Improvement of the Solubilization and Extraction of Curcumin in an Edible Ternary Solvent Mixture
Authors: Huber Verena , Muller Laurie , Hioe Johnny , Degot Pierre , Touraud Didier , Kunz Werner
Published: December 2021

A water-free, ternary solvent mixture consisting of a natural deep eutectic solvent (NADES), ethanol, and triacetin was investigated concerning its ability to dissolve and extract curcumin from Curcuma longa L. To this purpose, 11 NADES based on choline chloride, acetylcholine, and proline were screened using UV–vis measurements. A ternary phase diagram with a particularly promising NADES, based on choline chloride and levulinic acid was recorded and the solubility domains of the monophasic region were examined and correlated with the system’s structuring via light scattering experiments. At the optimum composition, close to the critical point, the solubility of curcumin could be enhanced by a factor of >1.5 with respect to acetone. In extraction experiments, conducted at the points of highest solubility and evaluated via HPLC, a total yield of ~84% curcuminoids per rhizome could be reached. Through multiple extraction cycles, reusing the extraction solvent, an enrichment of curcuminoids could be achieved while altering the solution. When counteracting the solvent change, even higher concentrated extracts can be obtained.
Separation and Quantification of Selected Sapogenins Extracted from Nettle, White Dead-Nettle, Common Soapwort and Washnut
Authors: Ligor Magdalena , Kiełbasa Anna , Ratiu Ileana-Andreea , Buszewski Bogusław
Published: December 2021

Saponins are an important group of secondary metabolites naturally occurring in plants with important properties like: antibacterial, antiviral and antifungal. Moreover, they are widely used in the cosmetic industry and household chemistry. The sapogenins are saponin hydrolyses products, frequently used to facilitate saponin detection. In the present study, an improved methodology for isolation and separation of five sapogenins extracted from nettle (Urtica dioica L.), white dead-nettle (Lamium album L.), common soapwort (Saponaria officinalis L.) and washnut (Sapindus mukorossi Gaertn.) was developed using ultra-high-performance liquid chromatography with an evaporative light-scattering detector (UHPLC-ELSD). Based on quantitative analysis, the highest content of hederagenin (999.1 ± 6.3 µg/g) and oleanolic acid (386.5 ± 27.7 µg/g) was found in washnut extracts. Good recoveries (71% ± 6 up to 99% ± 8) were achieved for four investigated targets, while just 22.2% ± 0.5 was obtained for the fifth one. Moreover, hederagenin and oleanolic acid of whose highest amount was detected in washnut (999.1 ± 6.3 µg/g and 386.5 ± 27.7 µg/g, respectively) were subject to another approach. Consequently, liquid chromatography coupled mass spectrometry (LC/MS) with multiple reaction monitoring mode (MRM) was used as an additional technique for fast and simultaneous identification of the mentioned targets.
The Aerial Parts of Agrimonia procera Wallr. and Agrimonia eupatoria L. as a Source of Polyphenols, and Especially Agrimoniin and Flavonoids
Authors: Karlińska Elżbieta , Romanowska Beata , Kosmala Monika
Published: December 2021

Plants of the genus Agrimonia L. perfectly fit the current trends in nutrition and food technology, namely, the need for raw materials with a high content of bioactive natural compounds, including polyphenols, which could be added to food. The composition of polyphenolics, including agrimoniin and flavonoids, in the aerial parts of Agrimonia procera Wallr. (A. procera) and Agrimonia eupatoria L. (A. eupatoria) (Rosaceae) was determined using HPLC-DAD-MS. The polyphenolic content of A. procera was found to be 3.9%, 3.2%, 2.9%, 1.8% and 1.1%, and that of A. eupatoria was determined to be 1.3%, 0.3%, 0.9%, 0.6% and 0.5% in the dry matter of leaves, stems, fruits, seeds and hypanthia, respectively. Except for A. procera hypanthia, agrimoniin was the main polyphenolic compound in the aerial parts of the studied Agrimonia species. Both plants are also a valuable source of flavonoid glycosides, especially apigenin, luteolin and quercetin. The obtained data indicate that both A. procera and A. eupatoria are potentially good sources of polyphenols (albeit significantly different in terms of their qualitative and quantitative composition), and may not only be a medicinal raw material, but also a valuable material for food use such as nutraceuticals or functional food ingredients.
Antifungal, Antibacterial, and Cytotoxic Activities of Silver Nanoparticles Synthesized from Aqueous Extracts of Mace-Arils of Myristica fragrans
Authors: Rizwana Humaira , Bokahri Najat A. , S. Alkhattaf Fatimah , Albasher Gadah , A. Aldehaish Horiah
Published: December 2021

In the present study, mace-mediated silver nanoparticles (mace-AgNPs) were synthesized, characterized, and evaluated against an array of pathogenic microorganisms. Mace, the arils of Myristica fragrans, are a rich source of several bioactive compounds, including polyphenols and aromatic compounds. During nano synthesis, the bioactive compounds in mace aqueous extracts serve as excellent bio reductants, stabilizers, and capping agents. The UV-VIS spectroscopy of the synthesized NPs showed an intense and broad SPR absorption peak at 456 nm. Dynamic light scattering (DLS) analysis showed the size with a Z average of 50 nm, while transmission electron microscopy (TEM) studies depicted the round shape and small size of the NPs, which ranged between 5–28 nm. The peaks related to important functional groups, such as phenols, alcohols, carbonyl groups, amides, alkanes and alkenes, were obtained on a Fourier-transform infrared spectroscopy (FTIR) spectrum. The peak at 3 keV on the energy dispersive X-ray spectrum (EDX) validated the presence of silver (Ag). Mace-silver nanoparticles exhibited potent antifungal and antibacterial activity against several pathogenic microorganisms. Additionally, the synthesized mace-AgNPs displayed an excellent cytotoxic effect against the human cervical cancer cell line. The mace-AgNPs demonstrated robust antibacterial, antifungal, and cytotoxic activity, indicating that the mace-AgNPs might be used in the agrochemical industry, pharmaceutical industry, and biomedical applications. However, future studies to understand its mode of action are needed.
Highly Selective Synthesis of 6-Glyoxylamidoquinoline Derivatives via Palladium-Catalyzed Aminocarbonylation
Authors: Chniti Sami , Kollár László , Bényei Attila , Takács Attila
Published: December 2021

The aminocarbonylation of 6-iodoquinoline has been investigated in the presence of large series of amine nucleophiles, providing an efficient synthetic route for producing various quinoline-6-carboxamide and quinoline-6-glyoxylamide derivatives. It was shown, after detailed optimization study, that the formation of amides and ketoamides is strongly influenced by the reaction conditions. Performing the reactions at 40 bar of carbon monoxide pressure in the presence of Pd(OAc)2/2 PPh3, the corresponding 2-ketocarboxamides were formed as major products (up to 63%). When the monodentate triphenylphosphine was replaced by the bidentate XantPhos, the quinoline-6-carboxamide derivatives were synthesized almost exclusively under atmospheric conditions (up to 98%). The isolation and characterization of the new carbonylated products of various structures were also accomplished. Furthermore, the structure of three new mono- and double-carbonylated compounds were unambiguously established by using a single-crystal XRD study.
Sunlight Photocatalytic Performance of ZnO Nanoparticles Synthesized by Green Chemistry Using Different Botanical Extracts and Zinc Acetate as a Precursor
Authors: López-López Juan , Tejeda-Ochoa Armando , López-Beltrán Ana , Herrera-Ramírez José , Méndez-Herrera Perla
Published: December 2021

In this work, the assessment of Azadirachta indica, Tagetes erecta, Chrysanthemum morifolium, and Lentinula edodes extracts as catalysts for the green synthesis of zinc oxide nanoparticles (ZnO NPs) was performed. The photocatalytic properties of ZnO NPs were investigated by the photodegradation of methylene blue (MB) dye under sunlight irradiation. UV-visible (UV-Vis) spectroscopy, Fourier Transform Infrared (FTIR) spectroscopy, Transmission Electron Microscopy (TEM), X-ray Diffraction (XRD), Thermogravimetric (TGA), and Brunauer-Emmett-Teller analysis (BET) were used for the characterization of samples. The XRD results indicate that all synthesized nanoparticles have a hexagonal wurtzite crystalline structure, which was confirmed by TEM. Further, TEM analysis proved the formation of spherical and hemispherical nanoparticles of ZnO with a size in the range of 14–32 nm, which were found in aggregate shape; such a size was well below the size of the particles synthesized with no extract (~43 nm). ZnO NPs produced with Tagetes erecta and Lentinula edodes showed the best photocatalytic activity, matching with the maximum adsorbed MB molecules (45.41 and 58.73%, respectively). MB was completely degraded in 45 min using Tagetes erecta and 120 min using Lentinula edodes when subjected to solar irradiation.
Terminal and Internal Alkyne Complexes and Azide-Alkyne Cycloaddition Chemistry of Copper(I) Supported by a Fluorinated Bis(pyrazolyl)borate
Authors: Noonikara-Poyil Anurag , Muñoz-Castro Alvaro , Dias H. V. Rasika
Published: December 2021

Copper plays an important role in alkyne coordination chemistry and transformations. This report describes the isolation and full characterization of a thermally stable, copper(I) acetylene complex using a highly fluorinated bis(pyrazolyl)borate ligand support. Details of the related copper(I) complex of HC≡CSiMe3 are also reported. They are three-coordinate copper complexes featuring η2-bound alkynes. Raman data show significant red-shifts in C≡C stretch of [H2B(3,5-(CF3)2Pz)2]Cu(HC≡CH) and [H2B(3,5-(CF3)2Pz)2]Cu(HC≡CSiMe3) relative to those of the corresponding alkynes. Computational analysis using DFT indicates that the Cu(I) alkyne interaction in these molecules is primarily of the electrostatic character. The π-backbonding is the larger component of the orbital contribution to the interaction. The dinuclear complexes such as Cu2(μ-[3,5-(CF3)2Pz])2(HC≡CH)2 display similar Cu-alkyne bonding features. The mononuclear [H2B(3,5-(CF3)2Pz)2]Cu(NCMe) complex catalyzes [3 + 2] cycloadditions between tolyl azide and a variety of alkynes including acetylene. It is comparatively less effective than the related trinuclear copper catalyst {μ-[3,5-(CF3)2Pz]Cu}3 involving bridging pyrazolates.
Secondary Metabolites of Purpureocillium lilacinum
Authors: Chen Wei , Hu Qiongbo
Published: December 2021

Fungi can synthesize a wealth of secondary metabolites, which are widely used in the exploration of lead compounds of pharmaceutical or agricultural importance. Beauveria, Metarhizium, and Cordyceps are the most extensively studied fungi in which a large number of biologically active metabolites have been identified. However, relatively little attention has been paid to Purpureocillium lilacinum. P. lilacinum are soil-habituated fungi that are widely distributed in nature and are very important biocontrol fungi in agriculture, providing good biological control of plant parasitic nematodes and having a significant effect on Aphidoidea, Tetranychus cinnbarinus, and Aleyrodidae. At the same time, it produces secondary metabolites with various biological activities such as anticancer, antimicrobial, and insecticidal. This review attempts to provide a comprehensive overview of the secondary metabolites of P. lilacinum, with emphasis on the chemical diversity and biological activity of these secondary metabolites and the biosynthetic pathways, and gives new insight into the secondary metabolites of medical and entomogenous fungi, which is expected to provide a reference for the development of medicine and agrochemicals in the future.
Sol-Gel Synthesis, Structure, Morphology and Magnetic Properties of Ni0.6Mn0.4Fe2O4 Nanoparticles Embedded in SiO2 Matrix
Authors: Dippong Thomas , Levei Erika Andrea , Deac Iosif Grigore , Petean Ioan , Borodi Gheorghe , Cadar Oana
Published: December 2021

The structure, morphology and magnetic properties of (Ni0.6Mn0.4Fe2O4)α(SiO2)100−α (α = 0–100%) nanocomposites (NCs) produced by sol-gel synthesis were investigated using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), atomic force microscopy (AFM) and vibrating sample magnetometry (VSM). At low calcination temperatures (300 °C), poorly crystallized Ni0.6Mn0.4Fe2O4, while at high calcination temperatures, well-crystallized Ni0.6Mn0.4Fe2O4 was obtained along with α-Fe2O3, quartz, cristobalite or iron silicate secondary phase, depending on the Ni0.6Mn0.4Fe2O4 content in the NCs. The average crystallite size increases from 2.6 to 74.5 nm with the increase of calcination temperature and ferrite content embedded in the SiO2 matrix. The saturation magnetization (Ms) enhances from 2.5 to 80.5 emu/g, the remanent magnetization (MR) from 0.68 to 12.6 emu/g and the coercive field (HC) from 126 to 260 Oe with increasing of Ni0.6Mn0.4Fe2O4 content in the NCs. The SiO2 matrix has a diamagnetic behavior with a minor ferromagnetic fraction, Ni0.6Mn0.4Fe2O4 embedded in SiO2 matrix displays superparamagnetic behavior, while unembedded Ni0.6Mn0.4Fe2O4 has a high-quality ferromagnetic behavior.
Improvement in Tensile Quasi-Static and Fatigue Properties of Carbon Fiber-Reinforced Epoxy Laminates with Matrices Modified by Carbon Nanotubes and Graphene Nanoplatelets Hybrid Nanofillers
Authors: Jen Yi-Ming , Huang Yu-Ching
Published: December 2021

The monotonic and cyclic properties of carbon fiber-reinforced epoxy (CFEP) laminate specimens with matrices modified by multiwalled carbon nanotubes (MWCNTs) and graphene nanoplatelets (GNPs) were experimentally studied. The laminate specimens were fabricated by the hand lay-up procedure and six MWCNT:GNP weight ratios, i.e., 0:0, 10:0, 0:10, 5:5, 9:1, and 1:9, were considered to prepare the nanoparticle-modified epoxy resin by using an ultrasonic homogenizer and a planetary centrifugal mixer. Then, these laminate specimens with their matrices modified under various nanofiller ratios were employed to investigate the influence of the number of nanofiller types and hybrid nanofiller ratios on the quasi-static strength, fatigue strength, and mode I fracture toughness. The experimental results show that adding individual types of nanoparticles has a slight influence on the quasi-static and fatigue strengths of the CFEP laminates. However, the remarkable synergistic effect of MWCNTs and GNPs on the studied mechanical properties of the CFEP laminates with matrices reinforced by hybrid nanoparticles has been observed. Examining the evolution of stiffness-based degradation indicates that adding hybrid nanoparticles to the matrix can reduce the degradation effectively. The high experimental data of the mode I fracture toughness of hybrid nano-CFEP laminates demonstrate that embedding hybrid nanoparticles in the matrix is beneficial to the interlaminar properties, further improving the fatigue strength. The pushout mechanism of the MWCNTs and the crack deflection effect of the GNPs suppress the growth and linkage of microcracks in the matrix. Furthermore, the bridging effect of the nanoparticles at the fiber/matrix interface retards the interfacial debonding, further improving the resistance to delamination propagation.
A Novel 3D Hierarchical Plasmonic Functional Cu@Co3O4@Ag Array as Intelligent SERS Sensing Platform with Trace Droplet Rapid Detection Ability for Pesticide Residue Detection on Fruits and Vegetables
Authors: Sun Guanliang , Li Ning , Wang Dan , Xu Guanchen , Zhang Xingshuang , Gong Hongyu , Li Dongwei , Li Yong , Pang Huaipeng , Gao Meng , Liang Xiu
Published: December 2021

Rapid and effective detection of pesticide residues from complex surfaces of fruits and vegetables has important significance. Herein, we report a novel three-dimensional (3D) hierarchical porous functional surface-enhanced Raman scattering (SERS) substrate, which is fabricated by successive two-step hydrothermal synthesis strategy of silver nanoparticles (Ag NPs) and cobalt oxide nanowires (Co3O4 NWs) on the 3D copper foam framework as Cu@Co3O4@Ag-H. The strategy offers a new avenue for localized plasmonic materials distribution and construction, which exhibits better morphology regulation ability and SERS activity (or hotspots engineering) than physical spurring obtained Cu@Co3O4@Ag-S. The developed Cu@Co3O4@Ag-H possesses large surface area and rich hotspots, which contributes to the excellent SERS performance, including homogeneity (RSD of 7.8%), sensitivity (enhancement factor, EF of 2.24 × 108) and stability. The Cu@Co3O4@Ag-H not only provides plenty of Electromagnetic enhancement (EM) hotspots but also the trace detection capability for droplet rapid sensing within 2 s. Cu@Co3O4@Ag-H substrate is further developed as an effective SERS sensing platform for pesticide residues detection on the surfaces of fruits and vegetables with excellent LOD of 0.1 ppm, which is lower than the most similar reported works. This work offers new potential for bioassay, disease POCT diagnosis, national security, wearable flexible devices, energy storage and other related fields.