bluuebunny/crossref_metadata_2025 huggingface dataset:
A Bidirectional Long Short-Term Memory Model Algorithm for Predicting COVID-19 in Gulf Countries
Authors: Aldhyani Theyazn H. H. , Alkahtani Hasan
Published: October 2021

Accurate prediction models have become the first goal for aiding pandemic-related decisions. Modeling and predicting the number of new active cases and deaths are important steps for anticipating and controlling COVID-19 outbreaks. The aim of this research was to develop an accurate prediction system for the COVID-19 pandemic that can predict the numbers of active cases and deaths in the Gulf countries of Saudi Arabia, Oman, the United Arab Emirates (UAE), Kuwait, Bahrain, and Qatar. The novelty of the proposed approach is that it uses an advanced prediction model—the bidirectional long short-term memory (Bi-LSTM) network deep learning model. The datasets were collected from an available repository containing updated registered cases of COVID-19 and showing the global numbers of active COVID-19 cases and deaths. Statistical analyses (e.g., mean square error, root mean square error, mean absolute error, and Spearman’s correlation coefficient) were employed to evaluate the results of the adopted Bi-LSTM model. The Bi-LSTM results based on the correlation metric gave predicted confirmed COVID-19 cases of 99.67%, 99.34%, 99.94%, 99.64%, 98.95%, and 99.91% for Saudi Arabia, Oman, the UAE, Kuwait, Bahrain, and Qatar, respectively, while testing the Bi-LSTM model for predicting COVID-19 mortality gave accuracies of 99.87%, 97.09%, 99.53%, 98.71%, 95.62%, and 99%, respectively. The Bi-LSTM model showed significant results using the correlation metric. Overall, the Bi-LSTM model demonstrated significant success in predicting COVID-19. The Bi-LSTM-based deep learning network achieves optimal prediction results and is effective and robust for predicting the numbers of active cases and deaths from COVID-19 in the studied Gulf countries.
Avocado Oil Prevents Kidney Injury and Normalizes Renal Vasodilation after Adrenergic Stimulation in Hypertensive Rats: Probable Role of Improvement in Mitochondrial Dysfunction and Oxidative Stress
Authors: Márquez-Ramírez Cristian Adrián , Olmos-Orizaba Berenice Eridani , García-Berumen Claudia Isabel , Calderón-Cortés Elizabeth , Montoya-Pérez Rocío , Saavedra-Molina Alfredo , Rodríguez-Orozco Alain Raimundo , Cortés-Rojo Christian
Published: October 2021

Hypertension impairs the function of the kidney and its vasculature. Adrenergic activation is involved in these processes by promoting oxidative stress and mitochondrial dysfunction. Thus, the targeting of mitochondrial function and mitochondrial oxidative stress may be an approach to alleviate hypertensive kidney damage. Avocado oil, a source of oleic acid and antioxidants, improves mitochondrial dysfunction, decreases mitochondrial oxidative stress, and enhances vascular function in hypertensive rats. However, whether avocado oil improves the function of renal vasculature during the adrenergic stimulation, and if this is related to improvement in renal damage and enhancement of mitochondrial activity is unknown. Thus, the effects of avocado oil on renal vascular responses to adrenergic stimulation, mitochondrial dysfunction, oxidative stress, and renal damage were compared with prazosin, an antagonist of α1-adrenoceptors, in hypertensive rats induced by L-NAME. Avocado oil or prazosin decreased blood pressure, improved endothelium—dependent renal vasodilation, prevented mitochondrial dysfunction and kidney damage in hypertensive rats. However, avocado oil, but not prazosin, decreased mitochondrial ROS generation and improved the redox state of mitochondrial glutathione. These results suggest that avocado oil and prazosin prevented hypertensive renal damage due to the improvement in mitochondrial function.
Mitochondrial Quality Control in Cardiac-Conditioning Strategies against Ischemia-Reperfusion Injury
Authors: García-Niño Wylly Ramsés , Zazueta Cecilia , Buelna-Chontal Mabel , Silva-Palacios Alejandro
Published: October 2021

Mitochondria are the central target of ischemic preconditioning and postconditioning cardioprotective strategies, which consist of either the application of brief intermittent ischemia/reperfusion (I/R) cycles or the administration of pharmacological agents. Such strategies reduce cardiac I/R injury by activating protective signaling pathways that prevent the exacerbated production of reactive oxygen/nitrogen species, inhibit opening of mitochondrial permeability transition pore and reduce apoptosis, maintaining normal mitochondrial function. Cardioprotection also involves the activation of mitochondrial quality control (MQC) processes, which replace defective mitochondria or eliminate mitochondrial debris, preserving the structure and function of the network of these organelles, and consequently ensuring homeostasis and survival of cardiomyocytes. Such processes include mitochondrial biogenesis, fission, fusion, mitophagy and mitochondrial-controlled cell death. This review updates recent advances in MQC mechanisms that are activated in the protection conferred by different cardiac conditioning interventions. Furthermore, the role of extracellular vesicles in mitochondrial protection and turnover of these organelles will be discussed. It is concluded that modulation of MQC mechanisms and recognition of mitochondrial targets could provide a potential and selective therapeutic approach for I/R-induced mitochondrial dysfunction.
Multi-Wavelength Photobiomodulation Therapy Combined with Static Magnetic Field on Long-Term Pulmonary Complication after COVID-19: A Case Report
Authors: Tomazoni Shaiane Silva , Johnson Douglas Scott , Leal-Junior Ernesto Cesar Pinto
Published: October 2021

Introduction: Photobiomodulation therapy, alone (PBMT) or combined with a static magnetic field (PBMT-sMF), has been demonstrated to be effective in the regeneration of tissues, modulation of inflammatory processes, and improvement in functional capacity. However, the effects of PBMT-sMF on the pulmonary system and COVID-19 patients remain scarce. Therefore, in this case report, we demonstrated the use of PBMT-sMF for peripheral oxygen saturation, pulmonary function, massive lung damage, and fibrosis as a pulmonary complication after COVID-19. Case report: A 53-year-old Mexican man who presented with decreased peripheral oxygen saturation, massive lung damage, and fibrosis after COVID-19 received PBMT-sMF treatment once a day for 45 days. The treatment was irradiated at six sites in the lower thorax and upper abdominal cavity and two sites in the neck area. We observed that the patient was able to leave the oxygen support during the treatment, and increase his peripheral oxygen saturation. In addition, the patient showed improvements in pulmonary severity scores and radiological findings. Finally, the patient presented with normal respiratory mechanics parameters in the medium-term, indicating total pulmonary recovery. Conclusions: The use of PBMT-sMF may potentially lead to safe treatment of and recovery from pulmonary complications after COVID-19, with regard to the structural and functional aspects.
Statistical Analysis of Uniform Switching Characteristics of Ta2O5-Based Memristors by Embedding In-Situ Grown 2D-MoS2 Buffer Layers
Authors: Jin Soeun , Kwon Jung-Dae , Kim Yonghun
Published: October 2021

A memristor based on emerging resistive random-access memory (RRAM) is a promising candidate for use as a next-generation neuromorphic computing device which overcomes the von Neumann bottleneck. Meanwhile, due to their unique properties, including atomically thin layers and surface smoothness, two-dimensional (2D) materials are being widely studied for implementation in the development of new information-processing electronic devices. However, inherent drawbacks concerning operational uniformities, such as device-to-device variability, device yield, and reliability, are huge challenges in the realization of concrete memristor hardware devices. In this study, we fabricated Ta2O5-based memristor devices, where a 2D-MoS2 buffer layer was directly inserted between the Ta2O5 switching layer and the Ag metal electrode to improve uniform switching characteristics in terms of switching voltage, the distribution of resistance states, endurance, and retention. A 2D-MoS2 layered buffer film with a 5 nm thickness was directly grown on the Ta2O5 switching layer by the atomic-pressure plasma-enhanced chemical vapor deposition (AP-PECVD) method, which is highly uniform and provided a superior yield of 2D-MoS2 film. It was observed that the switching operation was dramatically stabilized via the introduction of the 2D-MoS2 buffer layer compared to a pristine device without the buffer layer. It was assumed that the difference in mobility and reduction rates between Ta2O5 and MoS2 caused the narrow localization of ion migration, inducing the formation of more stable conduction filament. In addition, an excellent yield of 98% was confirmed while showing cell-to-cell operation uniformity, and the extrinsic and intrinsic variabilities in operating the device were highly uniform. Thus, the introduction of a MoS2 buffer layer could improve highly reliable memristor device switching operation.
Accurate Estimations of Any Eigenpairs of N-th Order Linear Boundary Value Problems
Authors: Almenar Pedro , Jódar Lucas
Published: October 2021

This paper provides a method to bound and calculate any eigenvalues and eigenfunctions of n-th order boundary value problems with sign-regular kernels subject to two-point boundary conditions. The method is based on the selection of a particular type of cone for each eigenpair to be determined, the recursive application of the operator associated to the equivalent integral problem to functions belonging to such a cone, and the calculation of the Collatz–Wielandt numbers of the resulting functions.
q-Functions and Distributions, Operational and Umbral Methods
Authors: Dattoli Giuseppe , Licciardi Silvia , Germano Bruna , Martinelli Maria Renata
Published: October 2021

The use of non-standard calculus means have been proven to be extremely powerful for studying old and new properties of special functions and polynomials. These methods have helped to frame either elementary and special functions within the same logical context. Methods of Umbral and operational calculus have been embedded in a powerful and efficient analytical tool, which will be applied to the study of the properties of distributions such as Tsallis, Weibull and Student’s. We state that they can be viewed as standard Gaussian distributions and we take advantage of the relevant properties to infer those of the aforementioned distributions.
An Intuitionistic Fuzzy Approach for Smart City Development Evaluation for Developing Countries: Moroccan Context
Authors: Hanine Mohamed , Boutkhoum Omar , El Barakaz Fatima , Lachgar Mohamed , Assad Noureddine , Rustam Furqan , Ashraf Imran
Published: October 2021

Rapid urbanization to meet the needs of the growing population has led to several challenges such as pollution, increased and congested traffic, poor sustainability, and impact on the ecological environment. The conception of smart cities comprising intelligent convergence systems has been regarded as a potential solution to overcome these problems. Based on the information, communications, and technology (ICT), the idea of a smart city has emerged to decrease the impact of rapid urbanization. In this context, important efforts have been made for making cities smarter and more sustainable. However, the challenges associated with the implementation and evaluation of smart cities in developing countries are not examined appropriately, particularly in the Moroccan context. To analyze the efficacy and success of such efforts, the evaluation and comparisons using common frameworks are significantly important. For this purpose, the present research aims to investigate and evaluate the most influential dimensions and criteria for smart city development (SCD) in the Moroccan context. To reach this goal, this study proposes a new integrated Multi-Criteria Decision-Making (MCDM) model based on Intuitionistic Fuzzy Analytical Hierarchy Process (IF-AHP) and Intuitionistic Fuzzy Decision-Making Trial and Evaluation Laboratory (IF-DEMATEL). In the given context, the IF-AHP is employed to analyze the structure of the problem and calculate the weights of the qualitative and quantitative dimensions/criteria by incorporating the uncertainty values provided by the experts. Later, IF-DEMATEL is used to construct the structural correlation of dimensions/criteria in MCDM. The use of intuitionistic fuzzy set theory helps in dealing with the linguistic imprecision and the ambiguity of experts’ judgment. Results reveal that ‘Smart Living and Governance’ and ‘Smart Economy’ are major dimensions impacting the SCD in the Moroccan context. The proposed model focuses on enhancing the understanding of different dimensions/criteria and situations in smart cities compared to traditional cities and elevates their decision-making capability. Moreover, the results are discussed, as are the managerial implications, conclusions, limitations, and potential opportunities.
A Significant Solar Energy Note on Powell-Eyring Nanofluid with Thermal Jump Conditions: Implementing Cattaneo-Christov Heat Flux Model
Authors: Abu-Hamdeh Nidal H. , Alsulami Radi A. , Rawa Muhyaddin J. H. , Alazwari Mashhour A. , Goodarzi Marjan , Safaei Mohammad Reza
Published: October 2021

PTSCs (parabolic trough solar collectors) are widely employed in solar-thermal applications to attain high temperatures. The purpose of this study is to determine how much entropy is created when Powell-Eyring nanofluid (P-ENF) flows across porous media on a horizontal plane under thermal jump circumstances. The flow in PTSC was generated by nonlinear surface stretching, thermal radiation, and Cattaneo-Christov heat flux, which was utilized to compute heat flux in the thermal boundary layer. Using a similarity transformation approach, partial differential equations were converted into ordinary differential equations with boundary constraints. Then, the boundary restrictions and partial differential equations were merged to form a single set of nonlinear ordinary differential equations. To obtain approximate solutions to ordinary differential equations, the Keller-Box approach is utilized. Nanofluids derived from silver- and copper-based engine oil (EO) has been employed as working fluids. The researchers observed that changing the permeability parameter reduced the Nusselt number while increasing the skin frictional coefficient. Total entropy variation was also calculated using the Brinkman number for flow rates with Reynolds number and viscosity changes. The key result is that thermal efficiency is inversely proportional to particular entropy production. For example, using Cu-EO nanofluid instead of Ag-EO nanofluid increased the heat transport rate efficiency to 15–36%.
SPX Calibration of Option Approximations under Rough Heston Model
Authors: Jeng Siow Woon , Kiliçman Adem
Published: October 2021

The volatility of stock return does not follow the classical Brownian motion, but instead it follows a form that is closely related to fractional Brownian motion. Taking advantage of this information, the rough version of classical Heston model also known as rough Heston model has been derived as the macroscopic level of microscopic Hawkes process where it acts as a high-frequency price process. Unlike the pricing of options under the classical Heston model, it is significantly harder to price options under rough Heston model due to the large computational cost needed. Previously, some studies have proposed a few approximation methods to speed up the option computation. In this study, we calibrate five different approximation methods for pricing options under rough Heston model to SPX options, namely a third-order Padé approximant, three variants of fourth-order Padé approximant, and an approximation formula made from decomposing the option price. The main purpose of this study is to fill in the gap on lack of numerical study on real market options. The numerical experiment includes calibration of the mentioned methods to SPX options before and after the Lehman Brothers collapse.
User Evaluation of a Multi-Platform Digital Storytelling Concept for Cultural Heritage
Authors: Vert Silviu , Andone Diana , Ternauciuc Andrei , Mihaescu Vlad , Rotaru Oana , Mocofan Muguras , Orhei Ciprian , Vasiu Radu
Published: October 2021

Digital storytelling platforms have proven to be a great way of bringing cultural heritage closer to people. What lacks is a deeper understanding of the user experience of such systems, especially in multi-platform digital storytelling. For the last three years, we have been developing a project called Spotlight Heritage Timisoara, which is at its core a digital storytelling platform for the city of Timisoara (Romania), soon to be European Capital of Culture in 2023. The project consists of a website, mobile applications, and interactive museographic and street exhibitions. This paper presents a multi-platform usability evaluation study which employed semi-structured interviews, observations, think-aloud protocol, SUS questionnaire, Net Promoter Score and Product Reaction Cards to gather insights from 105 participants and reveal usability problems in the Spotlight Heritage context. We found out that the four platforms, i.e., interactive touchscreen table, desktop/laptop, mobile and Augmented Reality, have very good usability scores, are considered accessible and useful, work seamlessly together, and create user satisfaction and loyalty, across demographic groups, having the potential to bring people closer to cultural heritage.
Mixed Convection Stagnation Point Flow of a Hybrid Nanofluid Past a Permeable Flat Plate with Radiation Effect
Authors: Salleh Siti Nur Alwani , Bachok Norfifah , Pop Ioan
Published: October 2021

This article focuses on the stagnation point flow of hybrid nanofluid towards a flat plate. The cases when the buoyancy forces and the flow are in the opposite direction and the same direction are discussed. The effect of radiation and suction is also taken into account. The similarity transformations are used to convert the partial differential equations into nonlinear ordinary differential equations. These equations are computed numerically via the bvp4c function in MATLAB software. A comparison with the previously published articles is carried out, where an outstanding agreement is observed. The dual solutions exist in the case of opposing flow (λ<0) and the suction parameter S>0.6688. Meanwhile, only unique solutions exist in the case of assisting flow (λ>0). The existence of dual solutions leads to stability analysis. From the analysis, the first solution is confirmed as a stable solution. Furthermore, the heat transmission rate increases, while the skin friction coefficient decreases as the radiation rate increases. An increase in the radiation rate from 0 (no radiation) to 1.0 increases the heat transmission rate by 5.01% for water, 4.96% for nanofluid, and 4.80% for hybrid nanofluid. Finally, it is worth mentioning that the present study yields new and original results. This study has also not been done by other researchers, indicating its novelty.
Credit Card Fraud Detection with Autoencoder and Probabilistic Random Forest
Authors: Lin Tzu-Hsuan , Jiang Jehn-Ruey
Published: October 2021

This paper proposes a method, called autoencoder with probabilistic random forest (AE-PRF), for detecting credit card frauds. The proposed AE-PRF method first utilizes the autoencoder to extract features of low-dimensionality from credit card transaction data features of high-dimensionality. It then relies on the random forest, an ensemble learning mechanism using the bootstrap aggregating (bagging) concept, with probabilistic classification to classify data as fraudulent or normal. The credit card fraud detection (CCFD) dataset is applied to AE-PRF for performance evaluation and comparison. The CCFD dataset contains large numbers of credit card transactions of European cardholders; it is highly imbalanced since its normal transactions far outnumber fraudulent transactions. Data resampling schemes like the synthetic minority oversampling technique (SMOTE), adaptive synthetic (ADASYN), and Tomek link (T-Link) are applied to the CCFD dataset to balance the numbers of normal and fraudulent transactions for improving AE-PRF performance. Experimental results show that the performance of AE-PRF does not vary much whether resampling schemes are applied to the dataset or not. This indicates that AE-PRF is naturally suitable for dealing with imbalanced datasets. When compared with related methods, AE-PRF has relatively excellent performance in terms of accuracy, the true positive rate, the true negative rate, the Matthews correlation coefficient, and the area under the receiver operating characteristic curve.
Resource System with Losses in a Random Environment
Authors: Naumov Valeriy , Samouylov Konstantin
Published: October 2021

The article deals with queueing systems with random resource requirements modeled as bivariate Markov jump processes. One of the process components describes the service system with limited resources. Another component represents a random environment that submits multi-class requests for resources to the service system. If the resource request is lost, then the state of the service system does not change. The change in the state of the environment interacting with the service system depends on whether the resource request has been lost. Thus, unlike in known models, the service system provides feedback to the environment in response to resource requests. By analyzing the properties of the system of integral equations for the stationary distribution of the corresponding random process, we obtain the conditions for the stationary distribution to have a product form. These conditions are expressed in the form of three systems of nonlinear equations. Several special cases are explained in detail.
The Role of Chemokines in Cervical Cancers
Authors: Garrido Fabian , Wild Carl Mathis , Mittelberger Johanna , Dobler Franziska , Schneider Mariella , Ansorge Nadine , Köpke Melitta , Strieder Annamarie , Ditsch Nina , Jeschke Udo , Dannecker Christian
Published: October 2021

Both clinical-pathological and experimental studies have shown that chemokines play a key role in activating the immune checkpoint modulator in cervical cancer progression and are associated with prognosis in tumor cell proliferation, invasion, angiogenesis, chemoresistance, and immunosuppression. Therefore, a clear understanding of chemokines and immune checkpoint modulators is essential for the treatment of this disease. This review discusses the origins and categories of chemokines and the mechanisms that are responsible for activating immune checkpoints in cervical dysplasia and cancer, chemokines as biomarkers, and therapy development that targets immune checkpoints in cervical cancer research.
Orodispersible Membranes from a Modified Coaxial Electrospinning for Fast Dissolution of Diclofenac Sodium
Authors: Ning Tingbao , Zhou Yangjian , Xu Haixia , Guo Shiri , Wang Ke , Yu Deng-Guang
Published: October 2021

The dissolution of poorly water-soluble drugs has been a longstanding and important issue in pharmaceutics during the past several decades. Nanotechnologies and their products have been broadly investigated for providing novel strategies for resolving this problem. In the present study, a new orodispersible membrane (OM) comprising electrospun nanofibers is developed for the fast dissolution of diclofenac sodium (DS). A modified coaxial electrospinning was implemented for the preparation of membranes, during which an unspinnable solution of sucralose was explored as the sheath working fluid for smoothing the working processes and also adjusting the taste of membranes. SEM and TEM images demonstrated that the OMs were composed of linear nanofibers with core-sheath inner structures. XRD and ATR-FTIR results suggested that DS presented in the OMs in an amorphous state due to the fine compatibility between DS and PVP. In vitro dissolution measurements and simulated artificial tongue experiments verified that the OMs were able to release the loaded DS in a pulsatile manner. The present protocols pave the way for the fast dissolution and fast action of a series of poorly water-soluble active ingredients that are suitable for oral administration.
Kinetic and Interaction Studies of Adenosine-5′-Triphosphate (ATP) Hydrolysis with Polyoxovanadates
Authors: de Azambuja Francisco , Steens Nele , Parac-Vogt Tatjana N.
Published: October 2021

The reactivity of polyoxovanadates towards adenosine-5′-triphosphate (ATP) hydrolysis at pH 2, 4, 6 and 7 is reported. Detailed kinetic investigation of ATP hydrolysis in the presence of polyoxovanadates was performed through multinuclear nuclear magnetic resonance (NMR) spectroscopy. In general, rate acceleration of up to five orders of magnitude was observed in the presence of vanadates compared to spontaneous ATP hydrolysis, with the greatest acceleration observed for reactions carried out at pH 2. Interestingly, the effectiveness of vanadates in promoting ATP hydrolysis decreased as the pH of the reaction solution increased; nevertheless, at pH = 7, the rate increase of one order of magnitude in comparison to blank reactions was still observed. Interactions between vanadate species in solution and ATP were investigated by means of 31P and 51V NMR spectroscopy, and this pointed towards the preferential interaction of vanadium with the phosphate groups rather than other regions of the ATP molecule.
Microstructural and Magnetic Behavior of Nanocrystalline Fe-12Ni-16B-2Si Alloy Synthesis and Characterization
Authors: Zaara Kaouther , Khitouni Mohamed , Escoda Lluisa , Saurina Joan , Suñol Joan-Josep , Llorca-Isern Nuria , Chemingui Mahmoud
Published: October 2021

The nanocrystalline Fe70Ni12B16Si2 (at.%) alloy was prepared by mechanical alloying (MA) of elemental powders in a high-energy planetary ball mill. Phase evolution, microstructure, thermal behavior and magnetic properties were investigated. It was found that a body-centered cubic structured solid solution started to form after 25 h milling and a faced-centered cubic structure solid solution started to form after 50 h of milling; its amount increased gradually with increasing milling time. The BCC and the FCC phases coexisted after 150 h of milling, with a refined microstructure of 13 nm and a 10 nm crystallite size. The as-milled powder was annealed at 450 °C and 650 °C and then investigated by vibrating sample magnetometry (VSM). It was shown that the semi-hard magnetic properties are affected by the phase transformation on annealing. The saturation magnetization decreases after annealing at 450 °C, whereas annealing at 650 °C improves the magnetic properties of 150 h milled powders through the reduction of coercivity from 109 Oe to 70 Oe and the increase in saturation magnetization.
A Review on Laser-Assisted Joining of Aluminium Alloys to Other Metals
Authors: Bunaziv Ivan , Akselsen Odd M. , Ren Xiaobo , Nyhus Bård , Eriksson Magnus , Gulbrandsen-Dahl Sverre
Published: October 2021

Modern industry requires different advanced metallic alloys with specific properties since conventional steels cannot cover all requirements. Aluminium alloys are becoming more popular, due to their low weight, high corrosion resistance, and relatively high strength. They possess respectable electrical conductivity, and their application extends to the energy sector. There is a high demand in joining aluminium alloys with other metals, such as steels, copper, and titanium. The joining of two or more metals is challenging, due to formation of the intermetallic compound (IMC) layer with excessive brittleness. High differences in the thermophysical properties cause distortions, cracking, improper dilution, and numerous weld imperfections, having an adverse effect on strength. Laser beam as a high concentration energy source is an alternative welding method for highly conductive metals, with significant improvement in productivity, compared to conventional joining processes. It may provide lower heat input and reduce the thickness of the IMC layer. The laser beam can be combined with arc-forming hybrid processes for wider control over thermal cycle. Apart from the IMC layer thickness, there are many other factors that have a strong effect on the weld integrity; their optimisation and innovation is a key to successfully delivering high-quality joints.
Opti-nQL: An Optimized, Versatile and Sensitive Nano-LC Method for MS-Based Lipidomics Analysis
Authors: Cattaneo Angela , Martano Giuseppe , Restuccia Umberto , Tronci Laura , Bianchi Michele , Bachi Angela , Matafora Vittoria
Published: October 2021

Lipidomics is the comprehensive analysis of lipids in a given biological system. This investigation is often limited by the low amount and high complexity of biological samples, therefore highly sensitive lipidomics methods are required. Nanoflow-LC/MS offers extremely high sensitivity; however, it is challenging as a more demanding maintenance is often needed compared to conventional microflow-LC approaches. Here, we developed a sensitive and reproducible lipidomics LC method, termed Opti-nQL, which can be applied to any biological system. Opti-nQL has been validated with cellular lipid extracts of human and mouse origin and with different lipid extraction methods. Among the resulting 4000 detected features, 700 and even more unique lipid molecular species have been identified covering 16 lipid sub-classes, while 400 lipids were uniquely structure defined by MS/MS. These results were obtained by analyzing an amount of lipids extract equivalent to 40 ng of proteins, being highly suitable for low abundant samples. MS analysis showed that theOpti-nQL method increases the number of identified lipids, which is evidenced by injecting 20 times less material than in microflow based chromatography, being more reproducible and accurate thus enhancing robustness of lipidomics analysis.
Urinary Metabolomic Profile of Neonates Born to Women with Gestational Diabetes Mellitus
Authors: Herrera-Van Oostdam Ana , Salgado-Bustamante Mariana , Lima-Rogel Victoria , Oropeza-Valdez Juan , López Jesús , Rodríguez Iván , Toro-Ortiz Juan , Herrera-Van Oostdam David , López-Hernández Yamilé , Monárrez-Espino Joel
Published: October 2021

Gestational diabetes mellitus (GDM) is one of the most frequent pregnancy complications with potential adverse outcomes for mothers and newborns. Its effects on the newborn appear during the neonatal period or early childhood. Therefore, an early diagnosis is crucial to prevent the development of chronic diseases later in adult life. In this study, the urinary metabolome of babies born to GDM mothers was characterized. In total, 144 neonatal and maternal (second and third trimesters of pregnancy) urinary samples were analyzed using targeted metabolomics, combining liquid chromatographic mass spectrometry (LC-MS/MS) and flow injection analysis mass spectrometry (FIA-MS/MS) techniques. We provide here the neonatal urinary concentration values of 101 metabolites for 26 newborns born to GDM mothers and 22 newborns born to healthy mothers. The univariate analysis of these metabolites revealed statistical differences in 11 metabolites. Multivariate analyses revealed a differential metabolic profile in newborns of GDM mothers characterized by dysregulation of acylcarnitines, amino acids, and polyamine metabolism. Levels of hexadecenoylcarnitine (C16:1) and spermine were also higher in newborns of GDM mothers. The maternal urinary metabolome revealed significant differences in butyric, isobutyric, and uric acid in the second and third trimesters of pregnancy. These metabolic alterations point to the impact of GDM in the neonatal period.
Soil Salinity, a Serious Environmental Issue and Plant Responses: A Metabolomics Perspective
Authors: Chele Kekeletso H. , Tinte Morena M. , Piater Lizelle A. , Dubery Ian A. , Tugizimana Fidele
Published: October 2021

The effects of global warming have increasingly led to devastating environmental stresses, such as heat, salinity, and drought. Soil salinization is a serious environmental issue and results in detrimental abiotic stress, affecting 7% of land area and 33% of irrigated lands worldwide. The proportion of arable land facing salinity is expected to rise due to increasing climate change fuelled by anthropogenic activities, exacerbating the threat to global food security for the exponentially growing populace. As sessile organisms, plants have evolutionarily developed mechanisms that allow ad hoc responses to salinity stress. The orchestrated mechanisms include signalling cascades involving phytohormones, kinases, reactive oxygen species (ROS), and calcium regulatory networks. As a pillar in a systems biology approach, metabolomics allows for comprehensive interrogation of the biochemistry and a deconvolution of molecular mechanisms involved in plant responses to salinity. Thus, this review highlights soil salinization as a serious environmental issue and points to the negative impacts of salinity on plants. Furthermore, the review summarises mechanisms regulating salinity tolerance on molecular, cellular, and biochemical levels with a focus on metabolomics perspectives. This critical synthesis of current literature is an opportunity to revisit the current models regarding plant responses to salinity, with an invitation to further fundamental research for novel and actionable insights.
Resistance to Boscalid, Fluopyram and Fluxapyroxad in Blumeriella jaapii from Michigan (U.S.A.): Molecular Characterization and Assessment of Practical Resistance in Commercial Cherry Orchards
Authors: Gleason Jacqueline , Peng Jingyu , Proffer Tyre J. , Slack Suzanne M. , Outwater Cory A. , Rothwell Nikki L. , Sundin George W.
Published: October 2021

Management of cherry leaf spot disease, caused by the fungus Blumeriella jaapii, with succinate dehydrogenase inhibitor (SDHI) fungicides has been ongoing in Michigan tart cherry orchards for the past 17 years. After boscalid-resistant B. jaapii were first isolated from commercial orchards in 2010, premixes of SDHI fungicides fluopyram or fluxapyroxad with a quinone outside inhibitor were registered in 2012. Here, we report widespread resistance to fluopyram (FluoR), fluxapyroxad (FluxR), and boscalid (BoscR) in commercial orchard populations of B. jaapii in Michigan from surveys conducted between 2016 and 2019. A total of 26% of 1610 isolates from the 2016–2017 surveys exhibited the fully-resistant BoscR FluoR FluxR phenotype and only 7% were sensitive to all three SDHIs. Practical resistance to fluopyram and fluxapyroxad was detected in 29 of 35 and 14 of 35 commercial tart cherry orchards, respectively, in surveys conducted in 2018 and 2019. Sequencing of the SdhB, SdhC, and SdhD target genes from 22 isolates with varying resistance phenotypes showed that BoscS FluoR FluxS isolates harbored either an I262V substitution in SdhB or an S84L substitution in SdhC. BoscR FluoR FluxR isolates harbored an N86S substitution in SdhC, or contained the N86S substitution with the additional I262V substitution in SdhB. One BoscR FluoR FluxR isolate contained both the I262V substitution in SdhB and the S84L substitution in SdhC. These mutational analyses suggest that BoscR FluoR FluxR isolates evolved from fully sensitive BoscS, FluoS, FluxS isolates in the population and not from boscalid-resistant isolates that were prevalent in the 2010–2012 time period.
Isolation and Identification of a Rumen Lactobacillus Bacteria and Its Degradation Potential of Gossypol in Cottonseed Meal during Solid-State Fermentation
Authors: Wang Wei-Kang , Li Wen-Juan , Wu Qi-Chao , Wang Yan-Lu , Li Sheng-Li , Yang Hong-Jian
Published: October 2021

Cottonseed meal (CSM) is an important protein feed source for dairy cows. Its inclusion in ruminant diets is limited due to the presence of the highly toxic gossypol though rumen microorganisms are believed to be capable of gossypol degrading and transforming. The objective of the present study was to isolate the gossypol-degrading bacteria from the rumen contents and to assess its potential for gossypol degradation in vitro. A strain named Lactobacillus agilis WWK129 was anaerobically isolated from dairy cows after mixed rumen microorganisms were grown on a substrate with gossypol as the sole carbon source. Furthermore, the strain was applied at 5% inoculum concentration in vitro to continuously ferment CSM at 39 °C for five days, and it presented gossypol degradability as high as 83%. Meanwhile, the CSM contents of crude protein, essential amino acids increased significantly along with the increase of lactic acid yield (p < 0.01). Compared with the original CSM, the fermented CSM contents of neutral detergent fiber and acid detergent fiber was remarkably decreased after the anaerobic fermentation (p < 0.01). In brief, the Lactobacillus strain isolated from the rumen is not only of great importance for gossypol biodegradation of CSM, but it could also be used to further explore the role of rumen microorganisms in gossypol degradation by the ruminants.
Illite-Age-Analysis (IAA) for the Dating of Shallow Faults: Prerequisites and Procedures for Improvement
Authors: Song Yungoo , Sim Ho
Published: October 2021

Fault age determination using the illite-age-analysis (IAA) method for fault gouges has played a key role in providing absolute age information in tectonic evolution studies for the last 20 years. The accuracy and precision of the IAA method depend on (1) how to reasonably quantify the relative content of 1M/1Md illite generated from fault activity compared to detrital 2M1 illite in the size fractions of the fault gouge, and (2) how to minimize the error factors in K-Ar or Ar-Ar dating analysis. XRD-based quantitative analysis of illite polytype has made great progress in accuracy by generating a simulated XRD pattern of 1M/1Md polytype using WILDFIRE© and full-pattern-fitting it with the XRD pattern measured from size fractions of the fault gauge. Nevertheless, the results of quantitative analysis of illite polytypes may vary depending on the sample state of the size fractions for XRD analysis, especially the preferred orientation due to the layered crystal structure of illite. In addition, the radiometric dating results may be distorted depending on the error factor of the dating method itself and on the mineral composition of the size fractions, that is, the presence of K-containing minerals such as biotite and K-feldspar other than illite. In this study, we reviewed previous studies that determined fault activity ages by applying IAA to fault gouges. From this, the prerequisites and recommendations for each of the five steps (particle size separation process, XRD analysis process, polytype quantification, radiometric dating, IAA plot) for improving the IAA method are summarized and presented. The continuous application of the improved IAA is expected to greatly contribute to the study of tectonic evolution through geological time.
Adsorption of Polyions on Flat TiO2 Surface
Authors: Klačić Tin , Katić Jozefina , Namjesnik Danijel , Jukić Jasmina , Kovačević Davor , Begović Tajana
Published: October 2021

In this study, the surface properties of Ti/TiO2 substrate before and after the adsorption of polyelectrolytes were investigated. As model polyelectrolytes, strongly charged polycation poly(diallyldimethylammonium) (PDADMA) and strongly charged polyanion poly(4-styrenesulfonate) (PSS) were used. Initially, the bare titanium substrate was characterized by means of ellipsometry, atomic force microscopy (AFM), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and measurements of inner surface potential using crystal electrode (CrE). It was shown that the substrate surface is very smooth with the roughness of 3.5 nm and oxide layer thickness of 3.8 nm. After the adsorption of PDADMA and PSS, polyelectrolyte-coated titanium surface was examined using the above-mentioned methods under the same conditions. It was found that both PDADMA cations and PSS anions form a stable polymeric nanofilm on Ti/TiO2 surface that partially covers the surface, without significant impact on the surface roughness. The corrosion protection effectiveness values indicate that the corrosion properties were greatly enhanced upon polyion adsorption and polyelectrolyte coating formation on the flat TiO2 surface. The obtained results were additionally confirmed by inner surface potential measurements. According to the methods employed, PDADMA nanofilm modification offers enhanced corrosion protection to the underlying titanium material in sodium chloride electrolyte solution.
Comparative Study of Optimization Models for Evaluation of EDM Process Parameters on Ti-6Al-4V
Authors: Maddu JagadeeswaraRao , Karrolla Buschaiah , Shaik Riyaaz Uddien , Vuppala Srikanth
Published: October 2021

In this paper, different optimization techniques such as multi-objective optimization based on ratio analysis, the -nD angle, information divergence and multi-angle optimization methods were considered for comparative study in order to check their variation in results. These four techniques were considered asthese techniques were made from completely different methodologies, such as MOORA, is one of the latest multi-criteria decision-making methods that cover the weakness of other older methods and the latter three (-nD angle, Information Divergence and MAOT) methods are based on trigonometric methodologies. These optimization techniques were carried out using the effect of EDM process parameters viz., material removal rate and surface roughness as output parameters and current, pulse on time, pulse off time and different electrode materials as input process parameters. These parameters were obtained from the experiments modelled according to the Taguchi experimental design procedure in which the L18 orthogonal array was used to perform experimentation with the material of titanium alloy (Ti-6Al-4V). All the optimization techniques have obtained similar results among which -nD angle and Information Divergence technique tend to be easier and understandable for any similar application. The latter two methods avoid complexity and can be used for optimizing any relevant manufacturing process parameters such as the parameters of EDM, additive manufacturing, etc.
Increasing the Transport of Celecoxib over a Simulated Intestine Cell Membrane Model Using Mesoporous Magnesium Carbonate
Authors: Gómez de la Torre Johan , Bergström Christel , Zardán Gómez de la Torre Teresa
Published: October 2021

In the current work, mesoporous magnesium carbonate (MMC) was used to suppress crystallization of the poorly soluble drug celecoxib (CXB). This resulted in both a higher dissolution rate and supersaturation of the substance in vitro as well as an increased transfer of CXB over a Caco-2 cell membrane mimicking the membrane in the small intestine. The CXB flux over the cell membrane showed a linear behavior over the explored time period. These results indicate that MMC may be helpful in increasing the bioavailability and obtaining a continuous release of CXB, and similar substances, in vivo. Neusilin US2 was used as a reference material and showed a more rapid initial release with subsequent crystallization of the incorporated CXB in the release media. The presented results form the foundation of future development of MMC as a potential carrier for poorly soluble drugs.
A Comprehensive Computational Screening of Phytochemicals Derived from Saudi Medicinal Plants against Human CC Chemokine Receptor 7 to Identify Potential Anti-Cancer Therapeutics
Authors: Alrumaihi Faris
Published: October 2021

Homeostatic trafficking of immune cells by CC chemokine receptor 7 (CCR7) keeps immune responses and tolerance in a balance. The involvement of this protein in lymph node metastasis in cancer marks CCR7 as a penitential drug target. Using the crystal structure of CCR7, herein, a comprehensive virtual screening study is presented to filter novel strong CCR7 binding phytochemicals from Saudi medicinal plants that have a higher binding affinity for the intracellular allosteric binding pocket. By doing so, three small natural molecules named as Hit-1 (1,8,10-trihydroxy-3-methoxy-6-methylanthracen-9(4H)-one), Hit-2 (4-(3,4-dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one), and Hit-3 (10-methyl-12,13-dihydro-[1,2]dioxolo[3,4,5-de]furo[3,2-g]isochromeno[4,3-b]chromen-8-ol) are predicted showing strong binding potential for the CC chemokine receptor 7 allosteric pocket. During molecular dynamics simulations, the compounds were observed in the formation of several chemical bonding of short bond distances. Additionally, the molecules remained in strong contact with the active pocket residues and experienced small conformation changes that seemed to be mediated by the CCR7 loops to properly engage the ligands. Two types of binding energy methods (MM/GBPBSA and WaterSwap) were additionally applied to further validate docking and simulation findings. Both analyses complement the good affinity of compounds for CCR7, the electrostatic and van der Waals energies being the most dominant in intermolecular interactions. The active pocket residue’s role in compounds binding was further evaluated via alanine scanning, which highlighted their importance in natural compounds binding. Additionally, the compounds fulfilled all drug-like rules: Lipinski, Ghose, Veber, Egan, and Muegge passed many safety parameters, making them excellent anti-cancer candidates for experimental testing.
Chromatographic Applications in the Multi-Way Calibration Field
Authors: Chiappini Fabricio A. , Alcaraz Mirta R. , Escandar Graciela M. , Goicoechea Héctor C. , Olivieri Alejandro C.
Published: October 2021

In this review, recent advances and applications using multi-way calibration protocols based on the processing of multi-dimensional chromatographic data are discussed. We first describe the various modes in which multi-way chromatographic data sets can be generated, including some important characteristics that should be taken into account for the selection of an adequate data processing model. We then discuss the different manners in which the collected instrumental data can be arranged, and the most usually applied models and algorithms for the decomposition of the data arrays. The latter activity leads to the estimation of surrogate variables (scores), useful for analyte quantitation in the presence of uncalibrated interferences, achieving the second-order advantage. Recent experimental reports based on multi-way liquid and gas chromatographic data are then reviewed. Finally, analytical figures of merit that should always accompany quantitative calibration reports are described.
Effective In Vitro Control of Two Phytopathogens of Agricultural Interest Using Cell-Free Extracts of Pseudomonas fluorescens and Chitosan
Authors: Trejo-Raya Ariadna Berenice , Rodríguez-Romero Víctor Manuel , Bautista-Baños Silvia , Quiroz-Figueroa Francisco Roberto , Villanueva-Arce Ramón , Durán-Páramo Enrique
Published: October 2021

A biofungicide is a natural product that can be derived from various sources such as, among others, microorganisms, higher plants, animal products, phytochemicals, semiochemicals, and antagonist microorganisms. One of the most important approaches for the production of biofungicides is the combination of biocontrol agents. This study showed the inhibition growth of Alternaria alternata and Fusarium solani treated with cell-free extracts of P. fluorescens. Using thin-layer chromatography and plate assays it was also demonstrated that the cell-free extracts of P. fluorescens contained siderophores and derivates of 4-diacetylphloroglucinol and phenazine. Moreover, the combination of cell-free extracts of P. fluorescens and chitosan [50–1.5% (v/v)] had a synergistic effect since they notably inhibited the mycelial growth of A. altenata and F. solani. Various morphological alterations to the mycelia and conidia of the treated fungi as a result of this combination were also observed. The present study could be a starting point to control other fungal phytopathogens using different cell-free extracts and chitosan as biocontrol agents.